Spectroscopy of Vibrational States in Diatomic Iodine Molecules

NASA Astrophysics Data System (ADS)

Mulholland, Mary; Harrill, Charles H.; Smith, R. Seth

2015-04-01

This project is focused on understanding the vibrational structure of iodine, which is a homonuclear diatomic molecule. A 20 mW, 532 nm cw diode laser was used to selectively excite neutral iodine molecules to a higher energy electronic state. By performing spectroscopy on the transitions from this state to a lower energy electronic state, the data only showed those vibrational bands which connect the two electronic states. Since a number of vibrational levels are populated in the higher energy electronic state, the transitions to all of the allowed vibrational levels in the lower energy electronic state provided sufficient data to determine the vibrational structures of both states. Emission spectra were collected with an Ocean Optics USB4000 Compact CCD Spectrometer. The spectrometer had a range of 500 - 770 nm with a resolution of approximately 0.5 nm and was sensitive enough to resolve the vibrational states in diatomic iodine molecules. The results were compared to a simple harmonic oscillator model.

The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Jun; Park, G. Barratt; Field, Robert W.

A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

DOE PAGES

Jiang, Jun; Park, G. Barratt; Field, Robert W.

2016-04-14

A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

Vibration isolation of automotive vehicle engine using periodic mounting systems

NASA Astrophysics Data System (ADS)

Asiri, S.

2005-05-01

Customer awareness and sensitivity to noise and vibration levels have been raised through increasing television advertisement, in which the vehicle noise and vibration performance is used as the main market differentiation. This awareness has caused the transportation industry to regard noise and vibration as important criteria for improving market shares. One industry that tends to be in the forefront of the technology to reduce the levels of noise and vibration is the automobile industry. Hence, it is of practical interest to reduce the vibrations induced structural responses. The automotive vehicle engine is the main source of mechanical vibrations of automobiles. The engine is vulnerable to the dynamic action caused by engine disturbance force in various speed ranges. The vibrations of the automotive vehicle engines may cause structural failure, malfunction of other parts, or discomfort to passengers because of high level noise and vibrations. The mounts of the engines act as the transmission paths of the vibrations transmitted from the excitation sources to the body of the vehicle and passengers. Therefore, proper design and control of these mounts are essential to the attenuation of the vibration of platform structures. To improve vibration resistant capacities of engine mounting systems, vibration control techniques may be used. For instance, some passive and semi-active dissipation devices may be installed at mounts to enhance vibration energy absorbing capacity. In the proposed study, a radically different concept is presented whereby periodic mounts are considered because these mounts exhibit unique dynamic characteristics that make them act as mechanical filters for wave propagation. As a result, waves can propagate along the periodic mounts only within specific frequency bands called the "Pass Bands" and wave propagation is completely blocked within other frequency bands called the "Stop Bands". The experimental arrangements, including the design of mounting systems with plain and periodic mounts will be studied first. The dynamic characteristics of such systems will be obtained experimentally in both cases. The tests will be then carried out to study the performance characteristics of periodic mounts with geometrical and/or material periodicity. The effectiveness of the periodicity on the vibration levels of mounting systems will be demonstrated theoretically and experimentally. Finally, the experimental results will be compared with the theoretical predictions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shirkov, Leonid; Makarewicz, Jan, E-mail: jama@amu.edu.pl

An ab initio intermolecular potential energy surface (PES) has been constructed for the benzene-krypton (BKr) van der Waals (vdW) complex. The interaction energy has been calculated at the coupled cluster level of theory with single, double, and perturbatively included triple excitations using different basis sets. As a result, a few analytical PESs of the complex have been determined. They allowed a prediction of the complex structure and its vibrational vdW states. The vibrational energy level pattern exhibits a distinct polyad structure. Comparison of the equilibrium structure, the dipole moment, and vibrational levels of BKr with their experimental counterparts has allowedmore » us to design an optimal basis set composed of a small Dunning’s basis set for the benzene monomer, a larger effective core potential adapted basis set for Kr and additional midbond functions. Such a basis set yields vibrational energy levels that agree very well with the experimental ones as well as with those calculated from the available empirical PES derived from the microwave spectra of the BKr complex. The basis proposed can be applied to larger complexes including Kr because of a reasonable computational cost and accurate results.« less

Full-Dimensional Quantum Calculations of Vibrational Levels of NH4(+) and Isotopomers on An Accurate Ab Initio Potential Energy Surface.

PubMed

Yu, Hua-Gen; Han, Huixian; Guo, Hua

2016-04-14

Vibrational energy levels of the ammonium cation (NH4(+)) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4(+) and ND4(+) exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. The low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm(-1).

Space Shuttle Crawler Transporter Vibration Analysis in Support of Rollout Fatigue Load Spectra Verification Program

NASA Technical Reports Server (NTRS)

Margasahayam, Ravi N.; Meyer, Karl A.; Nerolich, Shaun M.; Burton, Roy C.; Gosselin, Armand M.

2004-01-01

The Crawler Transporter (CT), designed and built for the Apollo Program in the 1960's and surpassing its initial operational life, has become an integral part of the Space Shuttle Program (SSP). The CT transports the Space Shuttle Vehicle (SSV) stack, atop the Mobile Launch Platform (MLP), from the Vehicle Assembly Building (VAB) to the launch pad. This support structure provides hydraulic jacking, leveling and load equalization for the 12 million pound stack on its 3.5-5.0 mile rollout to the launch pad. Major elements of the SSV, consisting of the orbiter, solid rocket boosters (SRB) and external tank (ET) have required fatigue analyses as part of the mission life certification. Compared to rollout vibration, the SSV sees relatively high vibration loads during launch, ascent, descent and landing phases of the mission. Although preliminary measured SRB vibration levels during rollout were of low amplitude and frequency, the duration of the rollout phase is typically high, from 5-6 hours. As part of an expanded mission life assessment, additional certification effort was initiated to define fatigue load spectra for rollout. This study addresses the CT vibration analyses in support of the rollout fatigue study. Structural models developed for modal and vibration analyses were used to identify unique CT, CT/MLP and CT/MLP/SRB vibration characteristics for comparison to instrumented rollout tests. Whereas the main structural and vibration characteristics of the SSV are well defined, minimum analytical and vibration test data on the Crawler Transporter were available. Unique vibration characteristics of the CT are attributable to the drive mechanism, hydraulic jacking system, structural framing and the CT-to-MLP support pad restraints. Initial tests performed on the CT/MLP/SRB configuration showed reasonable correlation with predicted mode shapes and frequencies.

Viking Mars lander 1975 dynamic test model/orbiter developmental test model forced vibration test

NASA Technical Reports Server (NTRS)

Fortenberry, J.; Brownlee, G. R.

1974-01-01

The Viking Mars Lander 1975 dynamic test model and orbiter developmental test model were subjected to forced vibration sine tests. Flight acceptance (FA) and type approval (TA) test levels were applied to the spacecraft structure in a longitudinal test configuration using a 133,440-N (30,000-lb) force shaker. Testing in the two lateral axes (X, Y) was performed at lower levels using four 667-N (150-lb) force shakers. Forced vibration qualification (TA) test levels were successfully imposed on the spacecraft at frequencies down to 10 Hz. Measured responses showed the same character as analytical predictions, and correlation was reasonably good. Because of control system test tolerances, orbiter primary structure generally did not reach the design load limits attained in earlier static testing. A post-test examination of critical orbiter structure disclosed no apparent damage to the structure as a result of the test environment.

Ambient Vibration Tests of an Arch Dam with Different Reservoir Water Levels: Experimental Results and Comparison with Finite Element Modelling

PubMed Central

Ranieri, Gaetano

2014-01-01

This paper deals with the ambient vibration tests performed in an arch dam in two different working conditions in order to assess the effect produced by two different reservoir water levels on the structural vibration properties. The study consists of an experimental part and a numerical part. The experimental tests were carried out in two different periods of the year, at the beginning of autumn (October 2012) and at the end of winter (March 2013), respectively. The measurements were performed using a fast technique based on asynchronous records of microtremor time-series. In-contact single-station measurements were done by means of one single high resolution triaxial tromometer and two low-frequency seismometers, placed in different points of the structure. The Standard Spectral Ratio method has been used to evaluate the natural frequencies of vibration of the structure. A 3D finite element model of the arch dam-reservoir-foundation system has been developed to verify analytically determined vibration properties, such as natural frequencies and mode shapes, and their changes linked to water level with the experimental results. PMID:25003146

Lumped mass model of a 1D metastructure for vibration suppression with no additional mass

NASA Astrophysics Data System (ADS)

Reichl, Katherine K.; Inman, Daniel J.

2017-09-01

The article examines the effectiveness of metastructures for vibration suppression from a weight standpoint. Metastructures, a metamaterial inspired concept, are structures with distributed vibration absorbers. In automotive and aerospace industries, it is critical to have low levels of vibrations while also using lightweight materials. Previous work has shown that metastructures are effective at mitigating vibrations, but do not consider the effects of mass. This work takes mass into consideration by comparing a structure with vibration absorbers to a structure of equal mass with no absorbers. These structures are modeled as one-dimensional lumped mass models, chosen for simplicity. Results compare both the steady-state and the transient responses. As a quantitative performance measure, the H2 norm, which is related to the area under the frequency response function, is calculated and compared for both the metastructure and the baseline structure. These results show that it is possible to obtain a favorable vibration response without adding additional mass to the structure. Additionally, the performance measure is utilized to optimize the geometry of the structure, determine the optimal ratio of mass in the absorber to mass of the host structure, and determine the frequencies of the absorbers. The dynamic response of this model is verified using a finite element analysis.

Benefits of Spacecraft Level Vibration Testing

NASA Technical Reports Server (NTRS)

Gordon, Scott; Kern, Dennis L.

2015-01-01

NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.

The Shock and Vibration Bulletin: Proceedings on the Symposium on ShocK and Vibration (52nd) Held in New Orleans, Louisiana on 26-28 October 1981. Part 5. Mathematical Modeling and Structural Dynamics

DTIC Science & Technology

1982-05-01

ment analysis to evaluate viscoelastic damping treatments for HCF control . Steps for analyzing passive damping treatments are presented. Design criteria... design earthquake levels could structures such as piers, drydocks, power result in destruction of such critical strut- plants, control towers, and...and J.R. Curreri, "Some Aspects of 2 Vibration Control Support Designs ," The Shock p m 0.0005161 lb-sec n and vibration Symposium Bulletin, The Shock

Partial filling of a honeycomb structure by granular materials for vibration and noise reduction

NASA Astrophysics Data System (ADS)

Koch, Sebastian; Duvigneau, Fabian; Orszulik, Ryan; Gabbert, Ulrich; Woschke, Elmar

2017-04-01

In this paper, the damping effect of granular materials is explored to reduce the vibration and noise of mechanical structures. To this end, a honeycomb structure with high stiffness is used to contain a granular filling which presents the possiblity for the distribution of the granular material to be designed. As a particular application example, the oil pan bottom of a combustion engine is used to investigate the influence on the vibration behavior and the sound emission. The effect of the honeycomb structure along with the granular mass, distribution, and type on the vibration behaviour of the structure is investigated via laser scanning vibrometry. From this, an optimized filling is determined and then its noise suppression level validated on an engine test bench through measurements with an acoustic array.

Active vibrations and noise control for turboprop application research program activities

NASA Technical Reports Server (NTRS)

Paonessa, A.; Concilio, A.; Lecce, Leonardo V.

1992-01-01

The objectives of this work include the following: (1) development of active noise control techniques to alleviate inefficiencies and drawbacks of passive noise control approach especially at low frequencies; (2) reduction of structurally radiated noise applying external forces to the vibrating structure by means of force actuators made of piezoelectric material; and (3) reduction of fuselage vibration levels in propeller driven aircraft by means of distributed piezoelectric actuators that are actively controlled.

Active vibrations and noise control for turboprop application research program activities

NASA Astrophysics Data System (ADS)

Paonessa, A.; Concilio, A.; Lecce, Leonardo V.

1992-07-01

The objectives of this work include the following: (1) development of active noise control techniques to alleviate inefficiencies and drawbacks of passive noise control approach especially at low frequencies; (2) reduction of structurally radiated noise applying external forces to the vibrating structure by means of force actuators made of piezoelectric material; and (3) reduction of fuselage vibration levels in propeller driven aircraft by means of distributed piezoelectric actuators that are actively controlled.

Full-dimensional quantum calculations of vibrational levels of NH 4 + and isotopomers on an accurate ab initio potential energy surface

DOE PAGES

Hua -Gen Yu; Han, Huixian; Guo, Hua

2016-03-29

Vibrational energy levels of the ammonium cation (NH 4 +) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH 4 + and ND 4 + exhibit a polyad structure, characterized by a collective quantum number P = 2(v 1 + v 3) + v 2 + v 4. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data ismore » better than 1 cm –1.« less

Stochastic output error vibration-based damage detection and assessment in structures under earthquake excitation

NASA Astrophysics Data System (ADS)

Sakellariou, J. S.; Fassois, S. D.

2006-11-01

A stochastic output error (OE) vibration-based methodology for damage detection and assessment (localization and quantification) in structures under earthquake excitation is introduced. The methodology is intended for assessing the state of a structure following potential damage occurrence by exploiting vibration signal measurements produced by low-level earthquake excitations. It is based upon (a) stochastic OE model identification, (b) statistical hypothesis testing procedures for damage detection, and (c) a geometric method (GM) for damage assessment. The methodology's advantages include the effective use of the non-stationary and limited duration earthquake excitation, the handling of stochastic uncertainties, the tackling of the damage localization and quantification subproblems, the use of "small" size, simple and partial (in both the spatial and frequency bandwidth senses) identified OE-type models, and the use of a minimal number of measured vibration signals. Its feasibility and effectiveness are assessed via Monte Carlo experiments employing a simple simulation model of a 6 storey building. It is demonstrated that damage levels of 5% and 20% reduction in a storey's stiffness characteristics may be properly detected and assessed using noise-corrupted vibration signals.

Channel branching ratios in CH2CN- photodetachment: Rotational structure and vibrational energy redistribution in autodetachment

NASA Astrophysics Data System (ADS)

Lyle, Justin; Wedig, Olivia; Gulania, Sahil; Krylov, Anna I.; Mabbs, Richard

2017-12-01

We report photoelectron spectra of CH2CN-, recorded at photon energies between 13 460 and 15 384 cm-1, which show rapid intensity variations in particular detachment channels. The branching ratios for various spectral features reveal rotational structure associated with autodetachment from an intermediate anion state. Calculations using equation-of-motion coupled-cluster method with single and double excitations reveal the presence of two dipole-bound excited anion states (a singlet and a triplet). The computed oscillator strength for the transition to the singlet dipole-bound state provides an estimate of the autodetachment channel contribution to the total photoelectron yield. Analysis of the different spectral features allows identification of the dipole-bound and neutral vibrational levels involved in the autodetachment processes. For the most part, the autodetachment channels are consistent with the vibrational propensity rule and normal mode expectation. However, examination of the rotational structure shows that autodetachment from the ν3 (v = 1 and v = 2) levels of the dipole-bound state displays behavior counter to the normal mode expectation with the final state vibrational level belonging to a different mode.

Damage assessment in reinforced concrete using nonlinear vibration techniques

NASA Astrophysics Data System (ADS)

Van Den Abeele, K.; De Visscher, J.

2000-07-01

Reinforced concrete (RC) structures are subject to microcrack initiation and propagation at load levels far below the actual failure load. In this paper, nonlinear vibration techniques are applied to investigate stages of progressive damage in RC beams induced by static loading tests. At different levels of damage, a modal analysis is carried out, assuming the structure to behave linearly. At the same time, measurement of resonant frequencies and damping ratios as function of vibration amplitude are performed using a frequency domain technique as well as a time domain technique. We compare the results of the linear and nonlinear techniques, and value them against the visual damage evaluation.

Molecular vibrational trapping revisited: a case study with D2+

PubMed Central

Badankó, Péter; Halász, Gábor J.; Vibók, Ágnes

2016-01-01

The present theoretical study is concerned with the vibrational trapping or bond hardening, which is a well-known phenomenon predicted by a dressed state representation of small molecules like and in an intense laser field. This phenomenon is associated with a condition where the energy of the light induced, vibrational level coincides with one of the vibrational levels on the field-free potential curve, which at the same time maximizes the wave function overlap between these two levels. One-dimensional numerical simulations were performed to investigate this phenomenon in a more quantitative way than has been done previously by calculating the photodissociation probability of for a wide range of photon energy. The obtained results undoubtedly show that the nodal structure of the field-free vibrational wave functions plays a decisive role in the vibrational trapping, in addition to the current understanding of this phenomenon. PMID:27550642

Conceptual design of new metrology laboratories for the National Physical Laboratory, United Kingdom

NASA Astrophysics Data System (ADS)

Manning, Christopher J.

1994-10-01

The National Physical Laboratory is planning to house the Division of Mechanical and Optical Metrology and the Division of Material Metrology in a new purpose built laboratory building on its site at Teddington, London, England. The scientific staff were involved in identifying and agreeing the vibration performance requirements of the conceptual design. This was complemented by an extensive surgery of vibration levels within the existing facilities and ambient vibration studies at the proposed site. At one end of the site there is significant vibration input from road traffic. Some of the test equipment is also in itself a source of vibration input. These factors, together with normal occupancy inputs, footfalls and door slams, and a highly serviced building led to vibration being dominant in influencing the structural form. The resulting structural concept comprises three separate structural elements for vibration and geotechnical reasons. The laboratories most sensitive to disturbance by vibration are located at the end of the site farthest from local roads on a massive ground bearing slab. Less sensitive laboratories and those containing vibration sources are located on a massive slab in deep, piled foundations. A common central plant area is located alongside on its own massive slab. Medium sensitivity laboratories and offices are located at first floor level on a reinforced concrete suspended floor of maximum stiffness per unit mass. The whole design has been such as to permit upgrading of areas, eg office to laboratory; laboratory to `high sensitivity' laboratory, to cater for changes in future use of the building.

Effects of experimentally measured pressure oscillations on the vibration of a solid rocket motor

NASA Technical Reports Server (NTRS)

Schoenster, J. A.; Pierce, H. B.

1972-01-01

Results are presented of firing a Nike rocket against a backstop for the purpose of obtaining pressure fluctuations in the rocket case and determining their relationship to structural vibrations of the case. Special care was required to obtain these pressure fluctuations because of the much higher static pressure generated in the rocket. Very small pressure fluctuations within the rocket case can cause significant vibration levels. A previously observed high frequency was shown to decrease with time before completely disappearing at about 1 second of burning time. The vibration of the case itself is probably related to the longitudinal structural modes at frequencies below 500 Hz and is dependent on local structural conditions at frequencies above this value.

Research on Aero-Thermodynamic Distortion Induced Structural Dynamic Response of Multistage Compressor Blading

DTIC Science & Technology

1992-03-01

of realistic reduced frequency values for the ftost time. 14. SUIUECT TEIEMS IS. NUMBER OF PAGES Unsteady Aerodynamic, 143 Flow Induced Vibrations 16...Flat Plate APPENDIX X. Prediction of Turbulence Generated Random Vibrational 106 Response of Turbomachinery Blading 3 APPENDIX XI. Viscous Oscillating...failure is fatigue caused by vibrations at levels exceeding3 material endurance limits. These vibrations occur when a periodic forcing function, with

Study on design method and vibration reduction characteristic of floating raft with periodic structure

NASA Astrophysics Data System (ADS)

Fang, Yuanyuan; Zuo, Yanyan; Xia, Zhaowang

2018-03-01

The noise level is getting higher with the development of high-power marine power plant. Mechanical noise is one of the most obvious noise sources which not only affect equipment reliability, riding comfort and working environment, but also enlarge underwater noise. The periodic truss type device which is commonly applied in fields of aerospace and architectural is introduced to floating raft construction in ship. Four different raft frame structure are designed in the paper. The vibration transmissibility is taken as an evaluation index to measure vibration isolation effect. A design scheme with the best vibration isolation effect is found by numerical method. Plate type and the optimized periodic truss type raft frame structure are processed to experimental verify vibration isolation effect of the structure of the periodic raft. The experimental results demonstrate that the same quality of the periodic truss floating raft has better isolation effect than that of the plate type floating raft.

System level mechanical testing of the Clementine spacecraft

NASA Technical Reports Server (NTRS)

Haughton, James; Hauser, Joseph; Raynor, William; Lynn, Peter

1994-01-01

This paper discusses the system level structural testing that was performed to qualify the Clementine Spacecraft for flight. These tests included spin balance, combined acoustic and axial random vibration, lateral random vibration, quasi-static loads, pyrotechnic shock, modal survey and on-orbit jitter simulation. Some innovative aspects of this effort were: the simultaneously combined acoustic and random vibration test; the mass loaded interface modal survey test; and the techniques used to assess how operating on board mechanisms and thrusters affect sensor vision.

Analysis on pseudo excitation of random vibration for structure of time flight counter

NASA Astrophysics Data System (ADS)

Wu, Qiong; Li, Dapeng

2015-03-01

Traditional computing method is inefficient for getting key dynamical parameters of complicated structure. Pseudo Excitation Method(PEM) is an effective method for calculation of random vibration. Due to complicated and coupling random vibration in rocket or shuttle launching, the new staging white noise mathematical model is deduced according to the practical launch environment. This deduced model is applied for PEM to calculate the specific structure of Time of Flight Counter(ToFC). The responses of power spectral density and the relevant dynamic characteristic parameters of ToFC are obtained in terms of the flight acceptance test level. Considering stiffness of fixture structure, the random vibration experiments are conducted in three directions to compare with the revised PEM. The experimental results show the structure can bear the random vibration caused by launch without any damage and key dynamical parameters of ToFC are obtained. The revised PEM is similar with random vibration experiment in dynamical parameters and responses are proved by comparative results. The maximum error is within 9%. The reasons of errors are analyzed to improve reliability of calculation. This research provides an effective method for solutions of computing dynamical characteristic parameters of complicated structure in the process of rocket or shuttle launching.

Assessment on transient sound radiation of a vibrating steel bridge due to traffic loading

NASA Astrophysics Data System (ADS)

Zhang, He; Xie, Xu; Jiang, Jiqing; Yamashita, Mikio

2015-02-01

Structure-borne noise induced by vehicle-bridge coupling vibration is harmful to human health and living environment. Investigating the sound pressure level and the radiation mechanism of structure-borne noise is of great significance for the assessment of environmental noise pollution and noise control. In this paper, the transient noise induced by vehicle-bridge coupling vibration is investigated by employing the hybrid finite element method (FEM) and boundary element method (BEM). The effect of local vibration of the bridge deck is taken into account and the sound responses of the structure-borne noise in time domain is obtained. The precision of the proposed method is validated by comparing numerical results to the on-site measurements of a steel girder-plate bridge in service. It implies that the sound pressure level and its distribution in both time and frequency domains may be predicted by the hybrid approach of FEM-BEM with satisfactory accuracy. Numerical results indicate that the vibrating steel bridge radiates high-level noise because of its extreme flexibility and large surface area for sound radiation. The impact effects of the vehicle on the sound pressure when leaving the bridge are observed. The shape of the contour lines in the area around the bridge deck could be explained by the mode shapes of the bridge. The moving speed of the vehicle only affects the sound pressure components with frequencies lower than 10 Hz.

Structural impact response for assessing railway vibration induced on buildings

NASA Astrophysics Data System (ADS)

Kouroussis, Georges; Mouzakis, Harris P.; Vogiatzis, Konstantinos E.

2018-03-01

Over the syears, the rapid growth in railway infrastructure has led to numerous environmental challenges. One such significant issue, particularly in urban areas, is ground-borne vibration. A common source of ground-borne vibration is caused by local defects (e.g. rail joints, switches, turnouts, etc.) that generate large amplitude excitations at isolated locations. Modelling these excitation sources is particularly challenging and requires the use of complex and extensive computational efforts. For some situations, the use of experiments and measured data offers a rapid way to estimate the effect of such defects and to evaluate the railway vibration levels using a scoping approach. In this paper, the problem of railway-induced ground vibrations is presented along with experimental studies to assess the ground vibration and ground borne noise levels, with a particular focus on the structural response of sensitive buildings. The behaviour of particular building foundations is evaluated through experimental data collected in Brussels Region, by presenting the expected frequency responses for various types of buildings, taking into account both the soil-structure interaction and the tramway track response. A second study is dedicated to the Athens metro, where transmissibility functions are used to analyse the effect of various Athenian building face to metro network trough comprehensive measurement campaigns. This allows the verification of appropriate vibration mitigation measures. These benchmark applications based on experimental results have been proved to be efficient to treat a complex problem encountered in practice in urban areas, where the urban rail network interacts with important local defects and where the rise of railway ground vibration problems has clearly been identified.

Molecular Origin of the Vibrational Structure of Ice Ih.

PubMed

Moberg, Daniel R; Straight, Shelby C; Knight, Christopher; Paesani, Francesco

2017-06-15

An unambiguous assignment of the vibrational spectra of ice I h remains a matter of debate. This study demonstrates that an accurate representation of many-body interactions between water molecules, combined with an explicit treatment of nuclear quantum effects through many-body molecular dynamics (MB-MD), leads to a unified interpretation of the vibrational spectra of ice I h in terms of the structure and dynamics of the underlying hydrogen-bond network. All features of the infrared and Raman spectra in the OH stretching region can be unambiguously assigned by taking into account both the symmetry and the delocalized nature of the lattice vibrations as well as the local electrostatic environment experienced by each water molecule within the crystal. The high level of agreement with experiment raises prospects for predictive MB-MD simulations that, complementing analogous measurements, will provide molecular-level insights into fundamental processes taking place in bulk ice and on ice surfaces under different thermodynamic conditions.

Theoretical and experimental studies of the structure and vibrational spectra of NTO

NASA Astrophysics Data System (ADS)

Sorescu, Dan C.; Sutton, Teressa R. L.; Thompson, Donald L.; Beardall, David; Wight, Charles A.

1996-10-01

The structure and vibrational spectra of the high explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) have been determined by ab initio molecular orbital calculations at the Hartree-Fock and second-order Møller-Plesset levels and by density functional theory (B3LYP). Experimental frequencies for the molecule have been determined from infrared spectra of pure NTO films and NTO molecules isolated in an argon matrix at 21 K. A force field for gas phase NTO has been obtained based on calculated results at the MP2/6-311G∗∗ level. In addition, a force field for solid state NTO has been constructed using the experimental vibrational frequencies for NTO films and scaled ab initio vibrational frequencies. Differences between the solid state and gas phase results indicate that the environment and preparation procedure exert a marked influence on the spectral characteristics of the NTO molecule.

The use of a digital computer for calculation of acoustic fields of complex vibrating structures by the reciprocity principle

NASA Technical Reports Server (NTRS)

Rimskiy-Korsakov, A. V.; Belousov, Y. I.

1973-01-01

A program was compiled for calculating acoustical pressure levels, which might be created by vibrations of complex structures (an assembly of shells and rods), under the influence of a given force, for cases when these fields cannot be measured directly. The acoustical field is determined according to transition frequency and pulse characteristics of the structure in the projection mode. Projection characteristics are equal to the reception characteristics, for vibrating systems in which the reciprocity principle holds true. Characteristics in the receiving mode are calculated on the basis of experimental data on a point pulse space velocity source (input signal) and vibration response of the structure (output signal). The space velocity of a pulse source, set at a point in space r, where it is necessary to calculate the sound field of the structure p(r,t), is determined by measurements of acoustic pressure, created by a point source at a distance R. The vibration response is measured at the point where the forces F and f exciting the system should act.

Vibration Testing of Stirling Power Convertors

NASA Technical Reports Server (NTRS)

Hughes, Bill; Goodnight, Thomas; McNelis, Mark E.; Suarez, Vicente J.; Schreiber, Jeff; Samorezov, Sergey

2003-01-01

The NASA John H. Glenn Research Center (GRC) and the U.S. Department of Energy (DOE) are currently developing a high efficient, long life, free piston Stirling convertor for use as an advanced spacecraft power system for future NASA missions. As part of this development, a Stirling Technology Demonstrator Convertor (TDC), developed by Stirling Technology Company (STC) for DOE, was vibration tested at GRC s Structural Dynamics Laboratory (SDU7735) in November- December 1999. This testing demonstrated that the Stirling TDC is able to withstand the harsh random vibration (20 to 2000 Hertz) seen during a typical spacecraft launch and survive with no structural damage or functional power performance degradation, thereby enabling its usage in future spacecraft power systems. The Stirling Vibration Test Team at NASA GRC and STC personnel conducted tests on a single 55 electric watt TDC. The purpose was to characterize the TDC s structural response to vibration and determine if the TDC could survive the vibration criteria established by the Jet Propulsion Laboratory (JPL) for launch environments. The TDC was operated at full-stroke and full power conditions during the vibration testing. The TDC was tested in two orientations, with the direction of vibration parallel and perpendicular to the TDC s moving components (displacer and piston). The TDC successfully passed a series of sine and random vibration tests. The most severe test was a 12.3 Grms random vibration test (peak vibration level of 0.2 g2/Hz from 50 to 250 Hertz) with test durations of 3 minutes per axis. The random vibration test levels were chosen to simulate, with margin, the maximum anticipated launch vibration conditions. As a result of this very successful vibration testing and successful evaluations in other key technical readiness areas, the Stirling power system is now considered a viable technology for future application for NASA spacecraft missions. Possible usage of the Stirling power system would be to supply on- board electric spacecraft power for future NASA Deep-Space Missions, performing as an attractive alternative to Radioisotope Thermoelectric Generators (RTG). Usage of the Stirling technology is also being considered as the electric power source for future Mars rovers, whose mission profiles may exclude the use of photovoltaic power systems (such as exploring at high Martian latitudes or for missions of lengthy durations). GRC s Thermo-Mechanical Systems Branch (5490) provides Stirling technology expertise under a Space Act Agreement with the DOE. Additional vibration testing, by GRC s Structural Systems Dynamics Branch (7733, is planned to continue to demonstrate the Stirling power system s vibration capability as its technology and flight system designs progress.

Towards accurate ab initio predictions of the vibrational spectrum of methane

NASA Technical Reports Server (NTRS)

Schwenke, David W.

2002-01-01

We have carried out extensive ab initio calculations of the electronic structure of methane, and these results are used to compute vibrational energy levels. We include basis set extrapolations, core-valence correlation, relativistic effects, and Born-Oppenheimer breakdown terms in our calculations. Our ab initio predictions of the lowest lying levels are superb.

Experimental validation of finite element and boundary element methods for predicting structural vibration and radiated noise

NASA Technical Reports Server (NTRS)

Seybert, A. F.; Wu, T. W.; Wu, X. F.

1994-01-01

This research report is presented in three parts. In the first part, acoustical analyses were performed on modes of vibration of the housing of a transmission of a gear test rig developed by NASA. The modes of vibration of the transmission housing were measured using experimental modal analysis. The boundary element method (BEM) was used to calculate the sound pressure and sound intensity on the surface of the housing and the radiation efficiency of each mode. The radiation efficiency of each of the transmission housing modes was then compared to theoretical results for a finite baffled plate. In the second part, analytical and experimental validation of methods to predict structural vibration and radiated noise are presented. A rectangular box excited by a mechanical shaker was used as a vibrating structure. Combined finite element method (FEM) and boundary element method (BEM) models of the apparatus were used to predict the noise level radiated from the box. The FEM was used to predict the vibration, while the BEM was used to predict the sound intensity and total radiated sound power using surface vibration as the input data. Vibration predicted by the FEM model was validated by experimental modal analysis; noise predicted by the BEM was validated by measurements of sound intensity. Three types of results are presented for the total radiated sound power: sound power predicted by the BEM model using vibration data measured on the surface of the box; sound power predicted by the FEM/BEM model; and sound power measured by an acoustic intensity scan. In the third part, the structure used in part two was modified. A rib was attached to the top plate of the structure. The FEM and BEM were then used to predict structural vibration and radiated noise respectively. The predicted vibration and radiated noise were then validated through experimentation.

Experiments and numerical simulations of nonlinear vibration responses of an assembly with friction joints - Application on a test structure named "Harmony"

NASA Astrophysics Data System (ADS)

Claeys, M.; Sinou, J.-J.; Lambelin, J.-P.; Todeschini, R.

2016-03-01

In presence of friction, the frequency response function of a metallic assembly is strongly dependent on the excitation level. The local stick-slip behavior at the friction interfaces induces energy dissipation and local stiffness softening. These phenomena are studied both experimentally and numerically on a test structure named "Harmony". Concerning the numerical part, a classical complete methodology from the finite element and friction modeling to the prediction of the nonlinear vibrational response is implemented. The well-known Harmonic Balance Method with a specific condensation process on the nonlinear frictional elements is achieved. Also, vibration experiments are performed to validate not only the finite element model of the test structure named "Harmony" at low excitation levels but also to investigate the nonlinear behavior of the system on several excitation levels. A scanning laser vibrometer is used to measure the nonlinear behavior and the local stick-slip movement near the contacts.

CM-2 Environmental / Modal Testing of Spacehab Racks

NASA Technical Reports Server (NTRS)

McNelis, Mark E.; Goodnight, Thomas W.; Farkas, Michael A.

2001-01-01

Combined environmental/modal vibration testing has been implemented at the NASA Glenn Research Center's Structural Dynamics Laboratory. The benefits of combined vibration testing are that it facilitates test article modal characterization and vibration qualification testing. The Combustion Module-2 (CM-2) is a space experiment that launches on Shuttle mission STS 107 in the SPACEHAB Research Double Module. The CM-2 flight hardware is integrated into a SPACEHAB single and double rack. CM-2 rack level combined vibration testing was recently completed on a shaker table to characterize the structure's modal response and verify the random vibration response. Control accelerometers and limit force gauges, located between the fixture and rack interface, were used to verify the input excitation. Results of the testing were used to verify the loads and environments for flight on the Shuttle.

Ground Vibration Testing Options for Space Launch Vehicles

NASA Technical Reports Server (NTRS)

Patterson, Alan; Smith, Robert K.; Goggin, David; Newsom, Jerry

2011-01-01

New NASA launch vehicles will require development of robust systems in a fiscally-constrained environment. NASA, Department of Defense (DoD), and commercial space companies routinely conduct ground vibration tests as an essential part of math model validation and launch vehicle certification. Although ground vibration testing must be a part of the integrated test planning process, more affordable approaches must also be considered. A study evaluated several ground vibration test options for the NASA Constellation Program flight test vehicles, Orion-1 and Orion-2, which concluded that more affordable ground vibration test options are available. The motivation for ground vibration testing is supported by historical examples from NASA and DoD. The approach used in the present study employed surveys of ground vibration test subject-matter experts that provided data to qualitatively rank six test options. Twenty-five experts from NASA, DoD, and industry provided scoring and comments for this study. The current study determined that both element-level modal tests and integrated vehicle modal tests have technical merits. Both have been successful in validating structural dynamic math models of launch vehicles. However, element-level testing has less overall cost and schedule risk as compared to integrated vehicle testing. Future NASA launch vehicle development programs should anticipate that some structural dynamics testing will be necessary. Analysis alone will be inadequate to certify a crew-capable launch vehicle. At a minimum, component and element structural dynamic tests are recommended for new vehicle elements. Three viable structural dynamic test options were identified. Modal testing of the new vehicle elements and an integrated vehicle test on the mobile launcher provided the optimal trade between technical, cost, and schedule.

A decentralized approach to vibration suppression in segmented reflector telescopes. [large spaceborne

NASA Technical Reports Server (NTRS)

Ryaciotaki-Boussalis, Helen A.; Wang, Shyh Jong

1989-01-01

The problem of vibration suppression in segmented reflector telescopes is considered. The decomposition of the structure into smaller components is discussed, and control laws for vibration suppression as well as conditions for stability at the local level are derived. These conditions and the properties of the interconnecting patterns are then utilized to obtain sufficient conditions for global stability.

Digital synthetic impedance for application in vibration damping.

PubMed

Nečásek, J; Václavík, J; Marton, P

2016-02-01

In this work we present construction details of a precision, standalone, and compact digital synthetic impedance for application in the field of vibration damping. The presented device is based on an embedded ARM microcontroller with external AD and DA converters and a special analog front-end. The performance of the device is tested by comparing the actually synthesized impedance with several prescribed impedances and shows very good match. Fine-tuning ability of the device, which is crucial for the considered application, is also demonstrated and reaches as small step as 0.1% for the most complicated impedance structure and drops below the level of direct measurability with less complex structures. The real application in vibration damping is demonstrated on a simple and well understood case of a one-dimensional vibrating spring-mass system with piezoelectric actuator embedded as the interface between source of vibrations and vibrating mass.

Digital synthetic impedance for application in vibration damping

NASA Astrophysics Data System (ADS)

Nečásek, J.; Václavík, J.; Marton, P.

2016-02-01

In this work we present construction details of a precision, standalone, and compact digital synthetic impedance for application in the field of vibration damping. The presented device is based on an embedded ARM microcontroller with external AD and DA converters and a special analog front-end. The performance of the device is tested by comparing the actually synthesized impedance with several prescribed impedances and shows very good match. Fine-tuning ability of the device, which is crucial for the considered application, is also demonstrated and reaches as small step as 0.1% for the most complicated impedance structure and drops below the level of direct measurability with less complex structures. The real application in vibration damping is demonstrated on a simple and well understood case of a one-dimensional vibrating spring-mass system with piezoelectric actuator embedded as the interface between source of vibrations and vibrating mass.

Calculation of flight vibration levels of the AH-1G helicopter and correlation with existing flight vibration measurements

NASA Technical Reports Server (NTRS)

Sopher, R.; Twomey, W. J.

1990-01-01

NASA-Langley is sponsoring a rotorcraft structural dynamics program with the objective to establish in the U.S. a superior capability to utilize finite element analysis models for calculations to support industrial design of helicopter airframe structures. In the initial phase of the program, teams from the major U.S. manufacturers of helicopter airframes will apply extant finite element analysis methods to calculate loads and vibrations of helicopter airframes, and perform correlations between analysis and measurements. The aforementioned rotorcraft structural dynamics program was given the acronym DAMVIBS (Design Analysis Method for Vibrations). Sikorsky's RDYNE Rotorcraft Dynamics Analysis used for the correlation study, the specifics of the application of RDYNE to the AH-1G, and comparisons of the predictions of the method with flight data for loads and vibrations on the AH-1G are described. RDYNE was able to predict trends of variations of loads and vibrations with airspeed, but in some instances magnitudes differed from measured results by factors of two or three to one. Sensitivities were studied of predictions to rotor inflow modeling, effects of torsional modes, number of blade bending modes, fuselage structural damping, and hub modal content.

Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study

NASA Astrophysics Data System (ADS)

Afzali, R.; Vakili, M.; Boluri, E.; Tayyari, S. F.; Nekoei, A.-R.; Hakimi-Tabar, M.; Darugar, V.

2018-02-01

An interpretation of the experimental IR and Raman spectra of Aluminum (III) trifluoroacetylacetonate (Al(TFAA)3) complex, which were synthesized by us, is first reported here. The charge distribution, isomerism, strength of metal-oxygen binding and vibrational spectral properties for this complex structure were theoretically investigated through population analysis, geometry optimization and harmonic frequency calculations, performed at B3LYP/6-311G* level of theory. In the population analysis, two different approaches reffered to as ;Atoms in molecules (AIM);, and ;Natural Bond Orbital (NBO); were used. According to the calculation resuls, the energy difference between the cis and trans isomers of Al(TFAA)3 is very small and indicates that both isomers coexist in the sample in comparable proportions. Comparison of the calculated frequency and intensity data with the observed IR and Raman spectra of the complex has supported this conclusion. On the other hand, comparison of the structural and vibrational spectral data of Al(TFAA)3, which were experimentally measured and calculated at B3LYP/6-311G* level, with the corresponding data of Aluminum acetylacetonate (Al(AA)3) has revealed the effects of CF3 substitution on the structural and vibrational spectral data associated with the CH3 groups in the complex structure.

Evaluation of human response to structural vibrations induced by sonic booms

NASA Technical Reports Server (NTRS)

Sutherland, Louis C.; Czech, J.

1992-01-01

The topic is addressed of building vibration response to sonic boom and the evaluation of the associated human response to this vibration. An attempt is made to reexamine some of the issues addressed previously and to offer fresh insight that may assist in reassessing the potential impact of sonic boom over populated areas. Human response to vibration is reviewed first and a new human vibration response criterion curve is developed as a function of frequency. The difference between response to steady state versus impulsive vibration is addressed and a 'vibration exposure' or 'vibration energy' descriptor is suggested as one possible way to evaluate duration effects on response to transient vibration from sonic booms. New data on the acoustic signature of rattling objects are presented along with a review of existing data on the occurrence of rattle. Structural response to sonic boom is reviewed and a new descriptor, 'Acceleration Exposure Level' is suggested which can be easily determined from the Fourier Spectrum of a sonic boom. A preliminary assessment of potential impact from sonic booms is provided in terms of human response to vibration and detection of rattle based on a synthesis of the preceding material.

A two scale modeling and computational framework for vibration-induced Raynaud syndrome.

PubMed

Hua, Yue; Lemerle, Pierre; Ganghoffer, Jean-François

2017-07-01

Hand-Arm Vibration syndrome (HAVS), usually caused by long-term use of hand-held power tools, can in certain manifestations alter the peripheral blood circulation in the hand-arm region. HAVS typically occurs after exposure to cold, causing an abnormally strong vasoconstriction of blood vessels. A pathoanatomical mechanism suggests that a reduction of the lumen of the blood vessels in VWF (Vibration White Finger) subjects, due to either hypertrophy or thickening of the vessel wall, may be at the origin of the disease. However, the direct and indirect effects of the load of the hand-held tools on the structure of blood vessels remain controversial:.one hypothesis is the mechanical action of vibration on the local acral dysregulation and/or on the vessel histomorphological modifications. Another hypothesis is the participation of the sympathetic nervous system to this dysregulation. In this paper, we assume the modifications as mechanobiological growth and the load-effect relationship may be interpreted as directly or indirectly induced. This work is the first attempt to model the effect of vibration through soft tissues onto the distal capillaries, addressing the double paradigm of multi space-time scales, i.e. low period vibration versus high time constant of the growth phenomenon as well as vibrations propagating in the macroscopic tissue including the microscopic capillary structures subjected to a pathological microstructural evolution. The objective is to lay down the theoretical basis of growth modeling for the small distal artery, with the ability to predict the geometrical and structural changes of the arterial walls caused by vibration exposure. We adopt the key idea of splitting the problem into one global vibration problem at the macroscopic scale and one local growth problem at the micro level. The macroscopic hyperelastic viscous dynamic model of the fingertip cross-section is validated by fitting experimental data. It is then used in steady-state vibration conditions to predict the mechanical fields in the close vicinity of capillaries. The space scale transfer from macroscopic to microscopic levels is ensured by considering a representative volume element (RVE) embedding a single capillary in its center. The vibrations emitted by the hand held power tool are next linked to the capillary growth through the adopted biomechanical growth model at the capillary level. The obtained results show that vibrations induce an increase of the thickness of the capillary's wall, thereby confirming the scenario of vibrations induced reduction of the lumen of blood vessels. Copyright © 2017 Elsevier Ltd. All rights reserved.

Forced vibration analysis of rotating cyclic structures in NASTRAN

NASA Technical Reports Server (NTRS)

Elchuri, V.; Gallo, A. M.; Skalski, S. C.

1981-01-01

A new capability was added to the general purpose finite element program NASTRAN Level 17.7 to conduct forced vibration analysis of tuned cyclic structures rotating about their axis of symmetry. The effects of Coriolis and centripetal accelerations together with those due to linear acceleration of the axis of rotation were included. The theoretical, user's, programmer's and demonstration manuals for this new capability are presented.

CM-2 Environmental/Modal Testing of SPACEHAB Racks

NASA Technical Reports Server (NTRS)

McNelis, Mark E.; Goodnight, Thomas W.

2001-01-01

Combined environmental/modal vibration testing has been implemented at the NASA Glenn Research Center's Structural Dynamics Laboratory. The benefits of combined vibration testing are that it facilitates test article modal characterization and vibration qualification testing. The Combustion Module-2 (CM-2) is a space experiment that will launch on shuttle mission STS-107 in the SPACEHAB Research Double Module. The CM-2 flight hardware is integrated into a SPACEHAB single and double rack. CM-2 rack-level combined vibration testing was recently completed on a shaker table to characterize the structure's modal response and verify the random vibration response. Control accelerometers and limit force gauges, located between the fixture and rack interface, were used to verify the input excitation. Results of the testing were used to verify the loads and environments for flight on the shuttles.

Tutorial: Novel properties of defects in semiconductors revealed by their vibrational spectra

NASA Astrophysics Data System (ADS)

Stavola, Michael; Fowler, W. Beall

2018-04-01

This is an introductory survey of the vibrational spectroscopy of defects in semiconductors that contain light-mass elements. The capabilities of vibrational spectroscopy for the identification of defects, the determination of their microscopic structures, and their dynamics are illustrated by a few examples. Several additional examples are discussed, with a focus on defects with properties not obviously accessible by vibrational spectroscopy, such as the diffusivity of an impurity, the negative U ordering of electronic levels, and the time constant for a nuclear-spin flip. These novel properties have, nonetheless, been revealed by vibrational spectra and their interpretation by theory.

Molecular structure and vibrational assignments of 2,4-dichlorophenoxyacetic acid herbicide

NASA Astrophysics Data System (ADS)

Badawi, Hassan M.

2010-09-01

The structural stability of 2,4-dichlorophenoxyacetic acid was investigated by the DFT-B3LYP and the ab initio MP2 calculations with the 6-311G** basis set. From the calculations at both levels of theory the Cgcpp structure was predicted to be the lowest energy minimum for the acid. The DFT and the MP2 levels disagreed about the nature of the second stable structure of 2,4-dichlorophenoxyacetic acid. At the DFT-B3LYP level of calculation the planar Tttp ( transoid O dbnd C sbnd O sbnd H) and the non-planar Tgcpp ( cisoid O dbnd C sbnd O sbnd H) forms were predicted to be 0.7 and 1.5 kcal/mol, respectively higher in energy than the Cgcpp conformation. At the MP2 level the two high energy Tttp and Tgcpp forms were predicted to be 2.7 and 1.4 kcal/mol, respectively higher in energy than the ground state Cgcpp structure. The Tgcpp form was adopted as the second possible structure of 2,4-dichlorophenoxyacetic acid on the basis of the fact that the Møller-Plesset calculations account better than the DFT ones for the non-bonding O⋯H interactions. The vibrational frequencies of the lowest energy Cgcpp conformer were computed at the B3LYP level of theory and tentative vibrational assignments were provided on the basis of normal coordinate analysis and experimental infrared and Raman data.

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range.

PubMed

Tyuterev, Vladimir G; Kochanov, Roman V; Tashkun, Sergey A; Holka, Filip; Szalay, Péter G

2013-10-07

An accurate description of the complicated shape of the potential energy surface (PES) and that of the highly excited vibration states is of crucial importance for various unsolved issues in the spectroscopy and dynamics of ozone and remains a challenge for the theory. In this work a new analytical representation is proposed for the PES of the ground electronic state of the ozone molecule in the range covering the main potential well and the transition state towards the dissociation. This model accounts for particular features specific to the ozone PES for large variations of nuclear displacements along the minimum energy path. The impact of the shape of the PES near the transition state (existence of the "reef structure") on vibration energy levels was studied for the first time. The major purpose of this work was to provide accurate theoretical predictions for ozone vibrational band centres at the energy range near the dissociation threshold, which would be helpful for understanding the very complicated high-resolution spectra and its analyses currently in progress. Extended ab initio electronic structure calculations were carried out enabling the determination of the parameters of a minimum energy path PES model resulting in a new set of theoretical vibrational levels of ozone. A comparison with recent high-resolution spectroscopic data on the vibrational levels gives the root-mean-square deviations below 1 cm(-1) for ozone band centres up to 90% of the dissociation energy. New ab initio vibrational predictions represent a significant improvement with respect to all previously available calculations.

Vibration Isolation for Launch of a Space Station Orbital Replacement Unit

NASA Technical Reports Server (NTRS)

Maly, Joseph R.; Sills, Joel W., Jr.; Pendleton, Scott C.; James, George H., III; Mimovich, Mark

2004-01-01

Delivery of Orbital Replacement Units (ORUs) to on-orbit destinations such a the International Space Station (ISS) and the Hubble Space Telescope is an important component of the space program. ORUs are integrated on orbit with space assets to maintain and upgrade functionality. For ORUs comprised of sensitive equipment, the dynamic launch environment drives design and testing requirements, and high frequency random vibrations are generally the cause for failure. Vibration isolation can mitigate the structure-borne vibration environment during launch, and hardware has been developed that can provide a reduced environment for current and future launch environments. Random vibration testing of one ORU to equivalent Space Shuttle launch levels revealed that its qualification and acceptance requirements were exceeded. An isolation system was designed to mitigate the structure-borne launch vibration environment. To protect this ORU, the random vibration levels at 50 Hz must be attenuated by a factor of two and those at higher frequencies even more. Design load factors for Shuttle launch are high, so a metallic load path is needed to maintain strength margins. Isolation system design was performed using a finite element model of the ORU on its carrier with representative disturbance inputs. Iterations on the modelled to an optimized design based on flight proven SoftRide MultiFlex isolators. Component testing has been performed on prototype isolators to validate analytical predictions.

Simulating Vibrations in a Complex Loaded Structure

NASA Technical Reports Server (NTRS)

Cao, Tim T.

2005-01-01

The Dynamic Response Computation (DIRECT) computer program simulates vibrations induced in a complex structure by applied dynamic loads. Developed to enable rapid analysis of launch- and landing- induced vibrations and stresses in a space shuttle, DIRECT also can be used to analyze dynamic responses of other structures - for example, the response of a building to an earthquake, or the response of an oil-drilling platform and attached tanks to large ocean waves. For a space-shuttle simulation, the required input to DIRECT includes mathematical models of the space shuttle and its payloads, and a set of forcing functions that simulates launch and landing loads. DIRECT can accommodate multiple levels of payload attachment and substructure as well as nonlinear dynamic responses of structural interfaces. DIRECT combines the shuttle and payload models into a single structural model, to which the forcing functions are then applied. The resulting equations of motion are reduced to an optimum set and decoupled into a unique format for simulating dynamics. During the simulation, maximum vibrations, loads, and stresses are monitored and recorded for subsequent analysis to identify structural deficiencies in the shuttle and/or payloads.

Effect of higher frequency components and duration of vibration on bone tissue alterations in the rat-tail model

PubMed Central

PEELUKHANA, Srikara V.; GOENKA, Shilpi; KIM, Brian; KIM, Jay; BHATTACHARYA, Amit; STRINGER, Keith F.; BANERJEE, Rupak K.

2015-01-01

To formulate more accurate guidelines for musculoskeletal disorders (MSD) linked to Hand-Arm Vibration Syndrome (HAVS), delineation of the response of bone tissue under different frequencies and duration of vibration needs elucidation. Rat-tails were vibrated at 125 Hz (9 rats) and 250 Hz (9 rats), at 49 m/s2, for 1D (6 rats), 5D (6 rats) and 20D (6 rats); D=days (4 h/d). Rats in the control group (6 rats for the vibration groups; 2 each for 1D, 5D, and 20D) were left in their cages, without being subjected to any vibration. Structural and biochemical damages were quantified using empty lacunae count and nitrotyrosine signal-intensity, respectively. One-way repeated-measure mixed-model ANOVA at p<0.05 level of significance was used for analysis. In the cortical bone, structural damage quantified through empty lacunae count was significant (p<0.05) at 250 Hz (10.82 ± 0.66) in comparison to the control group (7.41 ± 0.76). The biochemical damage was significant (p<0.05) at both the 125 Hz and 250 Hz vibration frequencies. The structural damage was significant (p<0.05) at 5D for cortical bone while the trabecular bone showed significant (p<0.05) damage at 20D time point. Further, the biochemical damage increased with increase in the duration of vibration with a significant (p<0.05) damage observed at 20D time point and a near significant change (p=0.08) observed at 5D time point. Structural and biochemical changes in bone tissue are dependent upon higher vibration frequencies of 125 Hz, 250 Hz and the duration of vibration (5D, 20D). PMID:25843564

Long-lived K isomer and enhanced γ vibration in the neutron-rich nucleus 172Dy: Collectivity beyond double midshell

NASA Astrophysics Data System (ADS)

Watanabe, H.; Zhang, G. X.; Yoshida, K.; Walker, P. M.; Liu, J. J.; Wu, J.; Regan, P. H.; Söderström, P.-A.; Kanaoka, H.; Korkulu, Z.; Lee, P. S.; Nishimura, S.; Yagi, A.; Ahn, D. S.; Alharbi, T.; Baba, H.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chae, K. Y.; Dombradi, Zs.; Doornenbal, P.; Estrade, A.; Fukuda, N.; Griffin, C.; Ideguchi, E.; Inabe, N.; Isobe, T.; Kanaya, S.; Kojouharov, I.; Kondev, F. G.; Kubo, T.; Kubono, S.; Kurz, N.; Kuti, I.; Lalkovski, S.; Lane, G. J.; Lee, C. S.; Lee, E. J.; Lorusso, G.; Lotay, G.; Moon, C.-B.; Nishizuka, I.; Nita, C. R.; Odahara, A.; Patel, Z.; Phong, V. H.; Podolyák, Zs.; Roberts, O. J.; Sakurai, H.; Schaffner, H.; Shand, C. M.; Shimizu, Y.; Sumikama, T.; Suzuki, H.; Takeda, H.; Terashima, S.; Vajta, Zs.; Valiente-Dóbon, J. J.; Xu, Z. Y.

2016-09-01

The level structure of 172Dy has been investigated for the first time by means of decay spectroscopy following in-flight fission of a 238U beam. A long-lived isomeric state with T1/2 = 0.71 (5) s and Kπ =8- has been identified at 1278 keV, which decays to the ground-state and γ-vibrational bands through hindered electromagnetic transitions, as well as to the daughter nucleus 172Ho via allowed β decays. The robust nature of the Kπ =8- isomer and the ground-state rotational band reveals an axially-symmetric structure for this nucleus. Meanwhile, the γ-vibrational levels have been identified at unusually low excitation energy compared to the neighboring well-deformed nuclei, indicating the significance of the microscopic effect on the non-axial collectivity in this doubly mid-shell region. The underlying mechanism of enhanced γ vibration is discussed in comparison with the deformed Quasiparticle Random-Phase Approximation based on a Skyrme energy-density functional.

Molecular origin of the vibrational structure of ice I h

DOE PAGES

Moberg, Daniel R.; Straight, Shelby C.; Knight, Christopher; ...

2017-05-25

Here, an unambiguous assignment of the vibrational spectra of ice I h remains a matter of debate. This study demonstrates that an accurate representation of many-body interactions between water molecules, combined with an explicit treatment of nuclear quantum effects through many-body molecular dynamics (MB-MD), leads to a unified interpretation of the vibrational spectra of ice I h in terms of the structure and dynamics of the underlying hydrogen-bond network. All features of the infrared and Raman spectra in the OH stretching region can be unambiguously assigned by taking into account both the symmetry and the delocalized nature of the latticemore » vibrations as well as the local electrostatic environment experienced by each water molecule within the crystal. The high level of agreement with experiment raises prospects for predictive MB-MD simulations that, complementing analogous measurements, will provide molecular-level insights into fundamental processes taking place in bulk ice and on ice surfaces under different thermodynamic conditions.« less

Damage/fault diagnosis in an operating wind turbine under uncertainty via a vibration response Gaussian mixture random coefficient model based framework

NASA Astrophysics Data System (ADS)

Avendaño-Valencia, Luis David; Fassois, Spilios D.

2017-07-01

The study focuses on vibration response based health monitoring for an operating wind turbine, which features time-dependent dynamics under environmental and operational uncertainty. A Gaussian Mixture Model Random Coefficient (GMM-RC) model based Structural Health Monitoring framework postulated in a companion paper is adopted and assessed. The assessment is based on vibration response signals obtained from a simulated offshore 5 MW wind turbine. The non-stationarity in the vibration signals originates from the continually evolving, due to blade rotation, inertial properties, as well as the wind characteristics, while uncertainty is introduced by random variations of the wind speed within the range of 10-20 m/s. Monte Carlo simulations are performed using six distinct structural states, including the healthy state and five types of damage/fault in the tower, the blades, and the transmission, with each one of them characterized by four distinct levels. Random vibration response modeling and damage diagnosis are illustrated, along with pertinent comparisons with state-of-the-art diagnosis methods. The results demonstrate consistently good performance of the GMM-RC model based framework, offering significant performance improvements over state-of-the-art methods. Most damage types and levels are shown to be properly diagnosed using a single vibration sensor.

Production, Delivery and Application of Vibration Energy in Healthcare

NASA Astrophysics Data System (ADS)

Abundo, Paolo; Trombetta, Chiara; Foti, Calogero; Rosato, Nicola

2011-02-01

In Rehabilitation Medicine therapeutic application of vibration energy in specific clinical treatments and in sport rehabilitation is being affirmed more and more.Vibration exposure can have positive or negative effects on the human body depending on the features and time of the characterizing wave. The human body is constantly subjected to different kinds of vibrations, inducing bones and muscles to actively modify their structure and metabolism in order to fulfill the required functions. Like every other machine, the body supports only certain vibration energy levels over which long term impairments can be recognized. As shown in literature anyway, short periods of vibration exposure and specific frequency values can determine positive adjustments.

Noise and vibration level reduction by covering metal structures with layers of damping materials. [considering viscoelastic insulation layers

NASA Technical Reports Server (NTRS)

Rugina, I.; Paven, H. T. O.

1974-01-01

One of the most important methods of reducing the noise and vibration level is the damping of the secondary sources, such as metal plates, often used in vehicle structures, by means of covering materials with high internal viscosity. Damping layers are chosen at an optimum thickness corresponding to the frequency and temperature range in which a certain structure works. The structure's response corresponding to various real situations is analyzed by means of a measuring chain including electroacoustical or electromechanical transducers. The experimental results provide the dependence of the loss factor and damping transmission coefficient as a function of the damping layer thickness or of the frequency for various viscoelastic covering materials.

Structural characterization, solvent effects on nuclear magnetic shielding tensors, experimental and theoretical DFT studies on the vibrational and NMR spectra of 3-(acrylamido)phenylboronic acid

NASA Astrophysics Data System (ADS)

Alver, Özgür; Kaya, Mehmet Fatih; Dikmen, Gökhan

2015-12-01

Structural elucidation of 3-(acrylamido)phenylboronic acid (C9H10BNO3) was carried out with 1H, 13C and HETCOR NMR techniques. Solvent effects on nuclear magnetic shielding tensors were examined with deuterated dimethyl sulfoxide, acetone, methanol and water solvents. The correct order of appearance of carbon and hydrogen atoms on NMR scale from highest magnetic field region to the lowest one were investigated using different types of theoretical levels and the details of the levels were presented in this study. Stable structural conformers and vibrational band analysis of the title molecule (C9H10BNO3) were studied both experimental and theoretical viewpoints using FT-IR, Raman spectroscopic methods and density functional theory (DFT). FT-IR and Raman spectra were obtained in the region of 4000-400 cm-1, and 3700-10 cm-1, respectively. Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-31++G(d, p) basis set was included in the search for optimized structures and vibrational wavenumbers. Experimental and theoretical results show that after application of a suitable scaling factor density functional B3LYP method resulted in acceptable results for predicting vibrational wavenumbers except OH and NH stretching modes which is most likely arising from increasing unharmonicity in the high wave number region and possible intra and inter molecular interaction at OH edges those of which are not fully taken into consideration in theoretical processes. To make a more quantitative vibrational assignments, potential energy distribution (PED) values were calculated using VEDA 4 (Vibrational Energy Distribution Analysis) program.

Computational vibrational study on coordinated nicotinamide

NASA Astrophysics Data System (ADS)

Bolukbasi, Olcay; Akyuz, Sevim

2005-06-01

The molecular structure and vibrational spectra of zinc (II) halide complexes of nicotinamide (ZnX 2(NIA) 2; X=Cl or Br; NIA=Nicotinamide) were investigated by computational vibrational study and scaled quantum mechanical (SQM) analysis. The geometry optimisation and vibrational wavenumber calculations of zinc halide complexes of nicotinamide were carried out by using the DFT/RB3LYP level of theory with 6-31G(d,p) basis set. The calculated wavenumbers were scaled by using scaled quantum mechanical (SQM) force field method. The fundamental vibrational modes were characterised by their total energy distribution. The coordination effects on nicotinamide through the ring nitrogen were discussed.

Building vibrations induced by noise from rotorcraft and propeller aircraft flyovers

NASA Technical Reports Server (NTRS)

Shepherd, Kevin P.; Hubbard, Harvey H.

1992-01-01

Noise and building vibrations were measured for a series of helicopter and propeller-driven aircraft flyovers at WFF during May 1978. The building response data are compared with similar data acquired earlier at sites near Dulles and Kennedy Airports for operation of commercial jet transports, including the Concorde supersonic transport. Results show that noise-induced vibration levels in windows and walls are directly proportional to sound pressure level and that for a given noise level, the acceleration levels induced by a helicopter or a propeller-driven aircraft flyover cannot be distinguished from the acceleration levels induced by a commercial jet transport flyover. Noise-induced building acceleration levels were found to be lower than those levels which might be expected to cause structural damage and were also lower than some acceleration levels induced by such common domestic events as closing windows and doors.

Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicin

NASA Astrophysics Data System (ADS)

Durlak, Piotr; Berski, Sławomir; Latajka, Zdzisław

2016-01-01

The molecular structure, conformational preferences, topological and vibrational analysis of allicin has been investigated at two different approaches. Calculations have been carried out on static (DFT and MP2) levels with an assortment of Dunning's basis sets and dynamic CPMD simulations. In this both case within the isolated molecule approximation. The results point out that at least twenty different conformers coexist on the PES as confirmed by the flexible character of this molecule. The topological analysis of ELF showed very similar nature of the Ssbnd S and Ssbnd O bonds. The infrared spectrum has been calculated, and a comparative vibrational analysis has been performed.

Comparison of the performance of different DFT methods in the calculations of the molecular structure and vibration spectra of serotonin (5-hydroxytryptamine, 5-HT)

NASA Astrophysics Data System (ADS)

Yang, Yue; Gao, Hongwei

2012-04-01

Serotonin (5-hydroxytryptamine, 5-HT) is a monoamine neurotransmitter which plays an important role in treating acute or clinical stress. The comparative performance of different density functional theory (DFT) methods at various basis sets in predicting the molecular structure and vibration spectra of serotonin was reported. The calculation results of different methods including mPW1PW91, HCTH, SVWN, PBEPBE, B3PW91 and B3LYP with various basis sets including LANL2DZ, SDD, LANL2MB, 6-31G, 6-311++G and 6-311+G* were compared with the experimental data. It is remarkable that the SVWN/6-311++G and SVWN/6-311+G* levels afford the best quality to predict the structure of serotonin. The results also indicate that PBEPBE/LANL2DZ level show better performance in the vibration spectra prediction of serotonin than other DFT methods.

Calculation of the vibration-rotational transition intensities of water molecules trapped in an argon matrix: stretching O-H vibrations spectral region

NASA Astrophysics Data System (ADS)

Pitsevich, George; Shalamberidze, Elena; Malevich, Alex; Sablinskas, Valdas; Balevicius, Vytautas; Pettersson, Lars G. M.

2017-10-01

The frequencies and intensities of vibration-rotational transitions of water molecules in an argon matrix were calculated for temperatures of 6 and 30 K. The rigid asymmetric top approximation was used with available literature values of the effective rotational constants in the ground and excited vibrational states. The calculations were carried out by taking into account the existence of a non-equilibrium population distribution between the rotational levels of ortho- and para-water isomers. It was assumed that the temperature relaxation of the population of rotational levels is independent of the ortho- and para-isomers. Comparison of the results of the theoretical calculations with experimental literature data shows good agreement for the majority of the rotational structure lines for symmetric and antisymmetric stretching vibrations both in the frequency values and in the values of the relative intensities.

Analyzing wind turbine flow interaction through vibration data

NASA Astrophysics Data System (ADS)

Castellani, Francesco; D'Elia, Gianluca; Astolfi, Davide; Mucchi, Emiliano; Giorgio, Dalpiaz; Terzi, Ludovico

2016-09-01

Wind turbines commonly undergo non-stationary flow and, not rarely, even rather extreme phenomena. In particular, rough terrains represent a challenging testing ground, because of the combination of terrain-driven flow and wakes. It is therefore crucial to assess the impact of dynamic loads on the turbines. In this work, tower and drive-train vibrations are analyzed, from a subcluster of four turbines of a wind farm sited in a very complex terrain. The main outcome of the study is that it is possible to start from the analysis of wind conditions and interpret how wakes manifest in the vibrations of the turbines, both at structural level (tower vibrations) and at the drive-train level. This wind to gear approach therefore allows to build a connection between a flow phenomenon and a mechanical phenomenon (vibrations) and can be precious to assess loads in different working conditions.

Preload Loss in a Spacecraft Fastener via Vibration-Induced Unwinding

NASA Technical Reports Server (NTRS)

DellaCorte, Christopher; Howard, S. Adam; Hess, Daniel P.

2018-01-01

Sound engineering practice requires that fasteners and bolted joints maintain preload in service. NASA recently concluded a series of vibration tests of a multicomponent structure intended to simulate an upper stage section of a launch vehicle. The stacked components were joined through six circumferentially placed bolted cup-cone-style pyrotechnic joint mechanisms designed to share spacecraft structural loads and then enable separation during ascent. Over the course of the vibration test campaign, all six bolted cup-cone mechanisms experienced some degree of preload loss with two mechanisms losing half of their original bolt preload. A subsequent forensic anomaly investigation concluded that vibration-induced unwinding of the preload nut-and-bolt assemblies occurred despite the use of safety wire and high levels of thread friction. A series of experiments were done to better understand how large, heavily preloaded fasteners could unwind. Additionally, thread friction torque was measured and the fastener locking capability of safety wire was evaluated. The friction coefficient between the clamped cup-cone components was characterized and finally a highly instrumented mechanism-level vibration test was done to reproduce the unwinding phenomenon to better understand the mechanism's behavior. The conclusion drawn was that vibration and structural forces led to relative motion (sliding) of the clamped components, resulting in self-loosening and unwinding effects on the nut-and-bolt assembly. To counter this phenomenon, more effective fastener locking methodologies were recommended and a follow-on effort was initiated to quantify the relationship between preload, component motion, and resulting unwinding forces. It is hoped that elucidation of these effects can be used to design more effective fastener locking features.

Ground test for vibration control demonstrator

NASA Astrophysics Data System (ADS)

Meyer, C.; Prodigue, J.; Broux, G.; Cantinaud, O.; Poussot-Vassal, C.

2016-09-01

In the objective of maximizing comfort in Falcon jets, Dassault Aviation is developing an innovative vibration control technology. Vibrations of the structure are measured at several locations and sent to a dedicated high performance vibration control computer. Control laws are implemented in this computer to analyse the vibrations in real time, and then elaborate orders sent to the existing control surfaces to counteract vibrations. After detailing the technology principles, this paper focuses on the vibration control ground demonstration that was performed by Dassault Aviation in May 2015 on Falcon 7X business jet. The goal of this test was to attenuate vibrations resulting from fixed forced excitation delivered by shakers. The ground test demonstrated the capability to implement an efficient closed-loop vibration control with a significant vibration level reduction and validated the vibration control law design methodology. This successful ground test was a prerequisite before the flight test demonstration that is now being prepared. This study has been partly supported by the JTI CleanSky SFWA-ITD.

Tautomerization, molecular structure, transition state structure, and vibrational spectra of 2-aminopyridines: a combined computational and experimental study.

PubMed

Al-Otaibi, Jamelah S

2015-01-01

2-amino pyridine derivatives have attracted considerable interest because they are useful precursors for the synthesis of a variety of heterocyclic compounds possessing a medicinal value. In this work we aim to study both structural and electronic as well as high quality vibrational spectra for 2-amino-3-methylpyridine (2A3MP) and 2-amino-4-methylpyridine (2A4MP). Møller-Plesset perturbation theory (MP2/6-31G(d) and MP2/6-31++G(d,p) methods were used to investigate the structure and vibrational analysis of (2A3MP) and (2A4MP). Tautomerization of 2A4MP was investigated by Density Functional Theory (DFT/B3LYP) method in the gas phase. For the first time, all tautomers including NH → NH conversions as well as those usually omitted, NH → CH and CH → CH, were considered. The canonical structure (2A4MP1) is the most stable tautomer. It is 13.60 kcal/mole more stable than the next (2A4MP2). Transition state structures of pyramidal N inversion and proton transfer were computed at B3LYP/6-311++G(d,p). Barrier to transition state of hydrogen proton transfer is calculated as 44.81 kcal/mol. Transition state activation energy of pyramidal inversion at amino N is found to be 0.41 kcal/mol using the above method. Bond order and natural atomic charges were also calculated at the same level. The raman and FT-IR spectra of (2A3MP) and (2A4MP) were measured (4000-400 cm(-1)). The optimized molecular geometries, frequencies and vibrational bands intensity were calculated at ab initio (MP2) and DFT(B3LYP) levels of theory with 6-31G(d), 6-31++G(d,p) and 6-311++G(d,p) basis sets. The vibrational frequencies were compared with experimentally measured FT-IR and FT-Raman spectra. Reconsidering the vibrational analysis of (2A3MP) and (2A4MP) with more accurate FT-IR machine and highly accurate animation programs result in new improved vibrational assignments. Sophisticated quantum mechanics methods enable studying the transition state structure for different chemical systems.

Development of the relaxation-assisted 2DIR method for accessing structures of molecules and its application for studying the energy transport on a molecular level

NASA Astrophysics Data System (ADS)

Kasyanenko, Valeriy Mitrofanovich

Measuring the three-dimensional structure of molecules, dynamics of structural changes, and energy transport on a molecular scale is important for many areas of natural science. Supplementing the widely used methods of x-ray diffraction, NMR, and optical spectroscopies, a two-dimensional infrared spectroscopy (2DIR) method was introduced about a decade ago. The 2DIR method measures pair-wise interactions between vibrational modes in molecules, thus acquiring molecular structural constraints such as distances between vibrating groups and the angles between their transition dipoles. The 2DIR method has been applied to a variety of molecular systems but in studying larger molecules such as proteins and peptides the method is facing challenges associated with the congestion of their vibrational spectra and delocalized character of their vibrational modes. To help extract structural information from such spectra and make efficient use of vibrational modes separated by large distances, a novel relaxation-assisted 2DIR method (RA 2DIR) has recently been proposed, which exploits the transport of excess vibrational energy from the initially excited mode. With the goal of further development of RA 2DIR, we applied it to a variety of molecular systems, including model compounds, transition-metal complexes, and isomers. The experiments revealed several novel effects which both enhance the power of RA 2DIR and bring a deeper understanding to the fundamental process of energy transport on a molecular level. We demonstrated that RA 2DIR can enhance greatly (27-fold) the cross-peak amplitude among spatially remote modes, which leads to an increase of the range of distances accessible for structural measurements by several fold. We demonstrated that the energy transport time correlates with the intermode distance. This correlation offers a new way for identifying connectivity patterns in molecules. We developed two models of energy transport in molecules. In one, a spatial overlap of vibrational modes determines the rate of energy transfer. Another model uses generalizations of Marcus theory of electron transfer applied to anharmonic vibrational transitions. These theoretical models reproduce well the main features of RA 2DIR measurements in a set of isomers where the energy transport is found to be affected by the three-dimensional structure as well as in transition-metal complexes, where the energy transport has to go through relatively weak coordination bonds and can be different from that occurring via covalent bonds.

Contribution to viscosity from the structural relaxation via the atomic scale Green-Kubo stress correlation function.

PubMed

Levashov, V A

2017-11-14

We studied the connection between the structural relaxation and viscosity for a binary model of repulsive particles in the supercooled liquid regime. The used approach is based on the decomposition of the macroscopic Green-Kubo stress correlation function into the correlation functions between the atomic level stresses. Previously we used the approach to study an iron-like single component system of particles. The role of vibrational motion has been addressed through the demonstration of the relationship between viscosity and the shear waves propagating over large distances. In our previous considerations, however, we did not discuss the role of the structural relaxation. Here we suggest that the contribution to viscosity from the structural relaxation can be taken into account through the consideration of the contribution from the atomic stress auto-correlation term only. This conclusion, however, does not mean that only the auto-correlation term represents the contribution to viscosity from the structural relaxation. Previously the role of the structural relaxation for viscosity has been addressed through the considerations of the transitions between inherent structures and within the mode-coupling theory by other authors. In the present work, we study the structural relaxation through the considerations of the parent liquid and the atomic level stress correlations in it. The comparison with the results obtained on the inherent structures also is made. Our current results suggest, as our previous observations, that in the supercooled liquid regime, the vibrational contribution to viscosity extends over the times that are much larger than the Einstein's vibrational period and much larger than the times that it takes for the shear waves to propagate over the model systems. Besides addressing the atomic level shear stress correlations, we also studied correlations between the atomic level pressure elements.

Contribution to viscosity from the structural relaxation via the atomic scale Green-Kubo stress correlation function

NASA Astrophysics Data System (ADS)

Levashov, V. A.

2017-11-01

We studied the connection between the structural relaxation and viscosity for a binary model of repulsive particles in the supercooled liquid regime. The used approach is based on the decomposition of the macroscopic Green-Kubo stress correlation function into the correlation functions between the atomic level stresses. Previously we used the approach to study an iron-like single component system of particles. The role of vibrational motion has been addressed through the demonstration of the relationship between viscosity and the shear waves propagating over large distances. In our previous considerations, however, we did not discuss the role of the structural relaxation. Here we suggest that the contribution to viscosity from the structural relaxation can be taken into account through the consideration of the contribution from the atomic stress auto-correlation term only. This conclusion, however, does not mean that only the auto-correlation term represents the contribution to viscosity from the structural relaxation. Previously the role of the structural relaxation for viscosity has been addressed through the considerations of the transitions between inherent structures and within the mode-coupling theory by other authors. In the present work, we study the structural relaxation through the considerations of the parent liquid and the atomic level stress correlations in it. The comparison with the results obtained on the inherent structures also is made. Our current results suggest, as our previous observations, that in the supercooled liquid regime, the vibrational contribution to viscosity extends over the times that are much larger than the Einstein's vibrational period and much larger than the times that it takes for the shear waves to propagate over the model systems. Besides addressing the atomic level shear stress correlations, we also studied correlations between the atomic level pressure elements.

Quelling Cabin Noise in Turboprop Aircraft via Active Control

NASA Technical Reports Server (NTRS)

Kincaid, Rex K.; Laba, Keith E.; Padula, Sharon L.

1997-01-01

Cabin noise in turboprop aircraft causes passenger discomfort, airframe fatigue, and employee scheduling constraints due to OSHA standards for exposure to high levels of noise. The noise levels in the cabins of turboprop aircraft are typically 10 to 30 decibels louder than commercial jet noise levels. However. unlike jet noise the turboprop noise spectrum is dominated by a few low frequency tones. Active structural acoustic control is a method in which the control inputs (used to reduce interior noise) are applied directly to a vibrating structural acoustic system. The control concept modeled in this work is the application of in-plane force inputs to piezoceramic patches bonded to the wall of a vibrating cylinder. The goal is to determine the force inputs and locations for the piezoceramic actuators so that: (1) the interior noise is effectively damped; (2) the level of vibration of the cylinder shell is not increased; and (3) the power requirements needed to drive the actuators are not excessive. Computational experiments for data taken from a computer generated model and from a laboratory test article at NASA Langley Research Center are provided.

Parametric and Non-Parametric Vibration-Based Structural Identification Under Earthquake Excitation

NASA Astrophysics Data System (ADS)

Pentaris, Fragkiskos P.; Fouskitakis, George N.

2014-05-01

The problem of modal identification in civil structures is of crucial importance, and thus has been receiving increasing attention in recent years. Vibration-based methods are quite promising as they are capable of identifying the structure's global characteristics, they are relatively easy to implement and they tend to be time effective and less expensive than most alternatives [1]. This paper focuses on the off-line structural/modal identification of civil (concrete) structures subjected to low-level earthquake excitations, under which, they remain within their linear operating regime. Earthquakes and their details are recorded and provided by the seismological network of Crete [2], which 'monitors' the broad region of south Hellenic arc, an active seismic region which functions as a natural laboratory for earthquake engineering of this kind. A sufficient number of seismic events are analyzed in order to reveal the modal characteristics of the structures under study, that consist of the two concrete buildings of the School of Applied Sciences, Technological Education Institute of Crete, located in Chania, Crete, Hellas. Both buildings are equipped with high-sensitivity and accuracy seismographs - providing acceleration measurements - established at the basement (structure's foundation) presently considered as the ground's acceleration (excitation) and at all levels (ground floor, 1st floor, 2nd floor and terrace). Further details regarding the instrumentation setup and data acquisition may be found in [3]. The present study invokes stochastic, both non-parametric (frequency-based) and parametric methods for structural/modal identification (natural frequencies and/or damping ratios). Non-parametric methods include Welch-based spectrum and Frequency response Function (FrF) estimation, while parametric methods, include AutoRegressive (AR), AutoRegressive with eXogeneous input (ARX) and Autoregressive Moving-Average with eXogeneous input (ARMAX) models[4, 5]. Preliminary results indicate that parametric methods are capable of sufficiently providing the structural/modal characteristics such as natural frequencies and damping ratios. The study also aims - at a further level of investigation - to provide a reliable statistically-based methodology for structural health monitoring after major seismic events which potentially cause harming consequences in structures. Acknowledgments This work was supported by the State Scholarships Foundation of Hellas. References [1] J. S. Sakellariou and S. D. Fassois, "Stochastic output error vibration-based damage detection and assessment in structures under earthquake excitation," Journal of Sound and Vibration, vol. 297, pp. 1048-1067, 2006. [2] G. Hloupis, I. Papadopoulos, J. P. Makris, and F. Vallianatos, "The South Aegean seismological network - HSNC," Adv. Geosci., vol. 34, pp. 15-21, 2013. [3] F. P. Pentaris, J. Stonham, and J. P. Makris, "A review of the state-of-the-art of wireless SHM systems and an experimental set-up towards an improved design," presented at the EUROCON, 2013 IEEE, Zagreb, 2013. [4] S. D. Fassois, "Parametric Identification of Vibrating Structures," in Encyclopedia of Vibration, S. G. Braun, D. J. Ewins, and S. S. Rao, Eds., ed London: Academic Press, London, 2001. [5] S. D. Fassois and J. S. Sakellariou, "Time-series methods for fault detection and identification in vibrating structures," Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, vol. 365, pp. 411-448, February 15 2007.

New approach for determination of the influence of long-range order and selected ring oscillations on IR spectra in zeolites

NASA Astrophysics Data System (ADS)

Mikuła, Andrzej; Król, Magdalena; Mozgawa, Włodzimierz; Koleżyński, Andrzej

2018-04-01

Vibrational spectroscopy can be considered as one of the most important methods used for structural characterization of various porous aluminosilicate materials, including zeolites. On the other hand, vibrational spectra of zeolites are still difficult to interpret, particularly in the pseudolattice region, where bands related to ring oscillations can be observed. Using combination of theoretical and computational approach, a detailed analysis of these regions of spectra is possible; such analysis should be, however, carried out employing models with different level of complexity and simultaneously the same theory level. In this work, an attempt was made to identify ring oscillations in vibrational spectra of selected zeolite structures. A series of ab initio calculations focused on S4R, S6R, and as a novelty, 5-1 isolated clusters, as well as periodic siliceous frameworks built from those building units (ferrierite (FER), mordenite (MOR) and heulandite (HEU) type) have been carried out. Due to the hierarchical structure of zeolite frameworks it can be expected that the total envelope of the zeolite spectra should be with good accuracy a sum of the spectra of structural elements that build each zeolite framework. Based on the results of HF calculations, normal vibrations have been visualized and detailed analysis of pseudolattice range of resulting theoretical spectra have been carried out. Obtained results have been applied for interpretation of experimental spectra of selected zeolites.

Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye

NASA Astrophysics Data System (ADS)

El-Mansy, M. A. M.

2017-08-01

Structural and vibrational spectroscopic studies were performed on indigo carmine (IC) isomers using FT-IR spectral analysis along with DFT/B3LYP method utilizing Gaussian 09 software. GaussView 5 program has been employed to perform a detailed interpretation of vibrational spectra. Simulation of infrared spectra has led to an excellent overall agreement with the observed spectral patterns. Mulliken population analyses on atomic charges, MEP, HOMO-LUMO, NLO, first order hyperpolarizability and thermodynamic properties have been examined by (DFT/B3LYP) method with the SDD basis set level. Density of state spectra (DOS) were calculated using GaussSum 3 at the same level of theory. Molecular modeling approved that DOS Spectra are the most significant tools for differentiating between two IC isomers so far. Moreover, The IC isomers (cis-isomer) have shown an extended applicability for manufacturing both NLO and photovoltaic devices such as solar cells.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watanabe, H.; Zhang, G. X.; Yoshida, K.

The level structure of 172Dy has been investigated for the first time by means of decay spectroscopy following in-flight fission of a 238U beam. A long-lived isomeric state with T1/2 = 0.71(5) s and Kπ = 8- has been identified at 1278 keV, which decays to the ground-state and γ -vibrational bands through hindered electromagnetic transitions, as well as to the daughter nucleus 172Ho via allowed β decays. The robust nature of the Kπ = 8- isomer and the ground-state rotational band reveals an axially-symmetric structure for this nucleus. Meanwhile, the γ -vibrational levels have been identified at unusually lowmore » excitation energy compared to the neighboring well-deformed nuclei, indicating the significance of the microscopic effect on the non-axial collectivity in this doubly mid-shell region. The underlying mechanism of enhanced γ vibration is discussed in comparison with the deformed Quasiparticle Random-Phase Approximation based on a Skyrme energy-density functional.« less

Active member vibration control for a 4 meter primary reflector support structure

NASA Technical Reports Server (NTRS)

Umland, J. W.; Chen, G.-S.

1992-01-01

The design and testing of a new low voltage piezoelectric active member with integrated load cell and displacement sensor is described. This active member is intended for micron level vibration and structural shape control of the Precision Segmented Reflector test-bed. The test-bed is an erectable 4 meter diameter backup support truss for a 2.4 meter focal length parabolic reflector. Active damping of the test-bed is then demonstrated using the newly developed active members. The control technique used is referred to as bridge feedback. With this technique the internal sensors are used in a local feedback loop to match the active member's input impedance to the structure's load impedance, which then maximizes vibrational energy dissipation. The active damping effectiveness is then evaluated from closed loop frequency responses.

Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine

NASA Astrophysics Data System (ADS)

Srivastava, Santosh K.; Singh, Vipin B.

2013-11-01

Vibrational spectra and molecular structure of anhydrous caffeine have been systematically investigated by second order Moller-Plesset (MP2) perturbation theory and density functional theory (DFT) calculations. Vibrational assignments have been made and many previous ambiguous assignments in IR and Raman spectra are amended. The calculated DFT frequencies and intensities at B3LYP/6-311++G(2d,2p) level, were found to be in better agreement with the experimental values. It was found that DFT with B3LYP functional predicts harmonic vibrational wave numbers more close to experimentally observed value when it was performed on MP2 optimized geometry rather than DFT geometry. The calculated TD-DFT vertical excitation electronic energies of the valence excited states of anhydrous caffeine are found to be in consonance to the experimental absorption peaks.

Helicopter vibration reduction using structural optimization with aeroelastic/multidisciplinary constraints - A survey

NASA Technical Reports Server (NTRS)

Friedmann, Peretz P.

1991-01-01

This paper presents a survey of the state-of-the-art in the field of structural optimization when applied to vibration reduction of helicopters in forward flight with aeroelastic and multidisciplinary constraints. It emphasizes the application of the modern approach where the optimization is formulated as a mathematical programming problem, the objective function consists of the vibration levels at the hub, and behavior constraints are imposed on the blade frequencies and aeroelastic stability margins, as well as on a number of additional ingredients that can have a significant effect on the overall performance and flight mechanics of the helicopter. It is shown that the integrated multidisciplinary optimization of rotorcraft offers the potential for substantial improvements, which can be achieved by careful preliminary design and analysis without requiring additional hardware such as rotor vibration absorbers of isolation systems.

Eulerian frequency analysis of structural vibrations from high-speed video

DOE Office of Scientific and Technical Information (OSTI.GOV)

Venanzoni, Andrea; Siemens Industry Software NV, Interleuvenlaan 68, B-3001 Leuven; De Ryck, Laurent

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 motionmore » 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 retrieval of the tip of a shaker, excited at selected fixed frequencies. The goal of this setup is to retrieve the frequencies at which the tip is excited. The second validation case consists of two thin metal beams connected to a randomly excited bar. It is shown that the holographic representation visually highlights the predominant frequency content of each pixel and locates the global frequencies of the motion, thus retrieving the natural frequencies for each beam.« less

Varying whole body vibration amplitude differentially affects tendon and ligament structural and material properties

PubMed Central

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

2014-01-01

Whole Body Vibration (WBV) is becoming increasingly popular for helping to maintain bone mass and strengthening muscle. Vibration regimens optimized for bone maintenance often operate at hypogravity levels (<1 G) and regimens for muscle strengthening often employ hypergravity (>1 G) vibrations. The effect of vibratory loads on tendon and ligament properties is unclear though excessive vibrations may be injurious. Our objective was to evaluate how tendon gene expression and the mechanical/histological properties of tendon and ligament were affected in response to WBV in the following groups: no vibration, low vibration (0.3 G peak-to-peak), and high vibration (2 G peak-to-peak). Rats were vibrated for 20 min a day, 5 days a week, for 5 weeks. Upon sacrifice, the medial collateral ligament (MCL), patellar tendon (PT), and the Achilles Tendon (AT) were isolated with insertion sites intact. All tissues were tensile tested to determine structural and material properties or used for histology. Patellar tendon was also subjected to quantitative RT-PCR to evaluate expression of anabolic and catabolic genes. No differences in biomechanical data between the control and the low vibration groups were found. There was evidence of significant weakness in the MCL with high vibration, but no significant effect on the PT or AT. Histology of the MCL and PT showed a hypercellular tissue response and some fiber disorganization with high vibration. High vibration caused an increase in collagen expression and a trend for an increase in IGF-1 expression suggesting a potential anabolic response to prevent tendon overuse injury. PMID:23623311

Combined Euler column vibration isolation and energy harvesting

NASA Astrophysics Data System (ADS)

Davis, R. B.; McDowell, M. D.

2017-05-01

A new device that combines vibration isolation and energy harvesting is modeled, simulated, and tested. The vibration isolating portion of the device uses post-buckled beams as its spring elements. Piezoelectric film is applied to the beams to harvest energy from their dynamic flexure. The entire device operates passively on applied base excitation and requires no external power or control system. The structural system is modeled using the elastica, and the structural response is applied as forcing on the electric circuit equation to predict the output voltage and the corresponding harvested power. The vibration isolation and energy harvesting performance is simulated across a large parameter space and the modeling approach is validated with experimental results. Experimental transmissibilities of 2% and harvested power levels of 0.36 μW are simultaneously demonstrated. Both theoretical and experimental data suggest that there is not necessarily a trade-off between vibration isolation and harvested power. That is, within the practical operational range of the device, improved vibration isolation will be accompanied by an increase in the harvested power as the forcing frequency is increased.

A structural and vibrational study on the first condensed borosulfate K5[B(SO4)4] by using the FTIR-Raman spectra and DFT calculations

NASA Astrophysics Data System (ADS)

Höppe, Henning Alfred; Kazmierczak, Karolina; Romano, Elida; Brandán, Silvia Antonia

2013-04-01

The first borosulfate, K5[B(SO4)4] (recently synthesized by Henning A. Höppe, Karolina Kazmierczak, Michael Daub, Katharina Förg, Franziska Fuchs, Harald Hillebrecht, 2012) was characterized by infrared and Raman spectroscopies. Density functional theory (DFT) calculations were used to study the structure and vibrational properties of the compound. Employing the B3P86 and B3LYP levels of theory, the molecular structures of the compound were theoretically determined in gas phase and the harmonic vibrational frequencies were evaluated at the same levels. The calculated harmonic vibrational frequencies for the borosulfate compound are consistent with the experimental IR and Raman spectra. These calculations gave us a precise knowledge of the normal modes of vibration taking into account the type of coordination adopted by sulfate groups of this compound as ligands with C3v and C2v symmetries. A complete assignment of all the observed bands in the IR and Raman spectra for K5[B(SO4)4] was performed. Here, the infrared and Raman spectra of K5[B(SO4)4] were interpreted, discussed and completely assigned. The nature of the Ksbnd O, Ksbnd S, Bsbnd O, and Ssbnd O bonds and the topological properties of the compound were investigated and analyzed by means of Natural Bond Order (NBO) and Bader's Atoms in Molecules theory (AIM), respectively.

The effects of low-frequency vibrations on hepatic profile of blood

NASA Astrophysics Data System (ADS)

Damijan, Z.

2008-02-01

Body vibrations training has become popular in sports training, fitness activity, it is still a rare form of physical rehabilitation.. Vibrations are transmitted onto the whole body or some body parts of an exercising person via a vibration platform subjected to mechanical vertical vibrations. During the training session a participant has to maintain his body position or do exercises that engage specific muscles whilst vibrations of the platform are transmitted onto the person's body. This paper is the continuation of the earlier study covering the effects of low-frequency vibrations on selected physiological parameters of the human body. The experiments were conducted to find the answer to the question if vibration exposure (total duration of training sessions 6 hours 20 min) should produce any changes in hepatic profile of blood. Therefore a research program was undertaken at the University of Science and Technology AGH UST to investigate the effects of low-frequency vibration on selected parameters of hepatic profile of human blood. Cyclic fluctuations of bone loading were induced by the applied harmonic vibration 3.5 Hz and amplitude 0.004 m. The experiments utilizing two vibrating platforms were performed in the Laboratory of Structural Acoustics and Biomedical Engineering AGH-UST. The applied vibrations were harmless and not annoying, in accordance with the standard PN-EN ISO 130901-1, 1998. 23 women volunteers had 19 sessions on subsequent working days, at the same time of day. during the tests the participants remained in the standing position, passive. The main hypothesis has it that short-term low-frequency vibration exposure might bring about the changes of the hepatic profile of blood, including: bilirubin (BILIRUBIN), alkaline phosphatase (Alp), alanine aminotransferase (ALT), aspartate aminotransferase (AST) and albumin (ALBUMIN) levels. Research data indicate the low-frequency vibrations exposure produces statistically significant decrease of bilirubin level [umol/l] in blood serum from 14.05 to 9.70 for 82% of participants, the probability level being p = 0.000041.

Numerical analysis of the vibroacoustic properties of plates with embedded grids of acoustic black holes.

PubMed

Conlon, Stephen C; Fahnline, John B; Semperlotti, Fabio

2015-01-01

The concept of an Acoustic Black Hole (ABH) has been developed and exploited as an approach for passively attenuating structural vibration. The basic principle of the ABH relies on proper tailoring of the structure geometrical properties in order to produce a gradual reduction of the flexural wave speed, theoretically approaching zero. For practical systems the idealized "zero" wave speed condition cannot be achieved so the structural areas of low wave speed are treated with surface damping layers to allow the ABH to approach the idealized dissipation level. In this work, an investigation was conducted to assess the effects that distributions of ABHs embedded in plate-like structures have on both vibration and structure radiated sound, focusing on characterizing and improving low frequency performance. Finite Element and Boundary Element models were used to assess the vibration response and radiated sound power performance of several plate configurations, comparing baseline uniform plates with embedded periodic ABH designs. The computed modal loss factors showed the importance of the ABH unit cell low order modes in the overall vibration reduction effectiveness of the embedded ABH plates at low frequencies where the free plate bending wavelengths are longer than the scale of the ABH.

Escaping the Ashby limit for mechanical damping/stiffness trade-off using a constrained high internal friction interfacial layer.

PubMed

Unwin, A P; Hine, P J; Ward, I M; Fujita, M; Tanaka, E; Gusev, A A

2018-02-06

The development of new materials with reduced noise and vibration levels is an active area of research due to concerns in various aspects of environmental noise pollution and its effects on health. Excessive vibrations also reduce the service live of the structures and limit the fields of their utilization. In oscillations, the viscoelastic moduli of a material are complex and it is their loss part - the product of the stiffness part and loss tangent - that is commonly viewed as a figure of merit in noise and vibration damping applications. The stiffness modulus and loss tangent are usually mutually exclusive properties so it is a technological challenge to develop materials that simultaneously combine high stiffness and high loss. Here we achieve this rare balance of properties by filling a solid polymer matrix with rigid inorganic spheres coated by a sub-micron layer of a viscoelastic material with a high level of internal friction. We demonstrate that this combination can be experimentally realised and that the analytically predicted behaviour is closely reproduced, thereby escaping the often termed 'Ashby' limit for mechanical stiffness/damping trade-off and offering a new route for manufacturing advanced composite structures with markedly reduced noise and vibration levels.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

NASA Astrophysics Data System (ADS)

Wang, Xiao-Gang; Carrington, Tucker

2018-02-01

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer.

PubMed

Wang, Xiao-Gang; Carrington, Tucker

2018-02-21

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

Train-induced field vibration measurements of ground and over-track buildings.

PubMed

Zou, Chao; Wang, Yimin; Moore, James A; Sanayei, Masoud

2017-01-01

Transit-oriented development, such as metro depot and over-track building complexes, has expanded rapidly over the last 5years in China. Over-track building construction has the advantage of comprehensive utilization of land resources, ease of commuting to work, and provide funds for subway construction. But the high frequency of subway operations into and out of the depots can generate excessive vibrations that transmit into the over track buildings, radiate noise within the buildings, hamper the operation of vibration sensitive equipment, and adversely affect the living quality of the building occupants. Field measurements of vibration during subway operations were conducted at Shenzhen, China, a city of 10.62 million people in southern China. Considering the metro depot train testing line and throat area train lines were the main vibration sources, vibration data were captured in five measurement setups. The train-induced vibrations were obtained and compared with limitation of FTA criteria. The structure-radiated noise was calculated using measured vibration levels. The vertical vibration energy directly passed through the columns on both sides of track into the platform, amplifying vibration on the platform by up to 6dB greater than ground levels at testing line area. Vibration amplification around the natural frequency in the vertical direction of over-track building made the peak values of indoor floor vibration about 16dB greater than outdoor platform vibration. We recommend to carefully examining design of new over-track buildings within 40m on the platform over the throat area to avoid excessive vertical vibrations and noise. For both buildings, the measured vertical vibrations were less than the FTA limit. However, it is demonstrated that the traffic-induced high-frequency noise has the potential to annoy occupants on the upper floors. Copyright © 2016 Elsevier B.V. All rights reserved.

Miniature vibration isolation system for space applications

NASA Astrophysics Data System (ADS)

Quenon, Dan; Boyd, Jim; Buchele, Paul; Self, Rick; Davis, Torey; Hintz, Timothy L.; Jacobs, Jack H.

2001-06-01

In recent years, there has been a significant interest in, and move towards using highly sensitive, precision payloads on space vehicles. In order to perform tasks such as communicating at extremely high data rates between satellites using laser cross-links, or searching for new planets in distant solar systems using sparse aperture optical elements, a satellite bus and its payload must remain relatively motionless. The ability to hold a precision payload steady is complicated by disturbances from reaction wheels, control moment gyroscopes, solar array drives, stepper motors, and other devices. Because every satellite is essentially unique in its construction, isolating or damping unwanted vibrations usually requires a robust system over a wide bandwidth. The disadvantage of these systems is that they typically are not retrofittable and not tunable to changes in payload size or inertias. Previous work, funded by AFRL, DARPA, BMDO and others, developed technology building blocks that provide new methods to control vibrations of spacecraft. The technology of smart materials enables an unprecedented level of integration of sensors, actuators, and structures; this integration provides the opportunity for new structural designs that can adaptively influence their surrounding environment. To date, several demonstrations have been conducted to mature these technologies. Making use of recent advances in smart materials, microelectronics, Micro-Electro Mechanical Systems (MEMS) sensors, and Multi-Functional Structures (MFS), the Air Force Research Laboratory along with its partner DARPA, have initiated an aggressive program to develop a Miniature Vibration Isolation System (MVIS) (patent pending) for space applications. The MVIS program is a systems-level demonstration of the application of advanced smart materials and structures technology that will enable programmable and retrofittable vibration control of spacecraft precision payloads. The current effort has been awarded to Honeywell Space Systems Operation. AFRL is providing in-house research and testing in support of the program as well. The MVIS program will culminate in a flight demonstration that shows the benefits of applying smart materials for vibration isolation in space and precision payload control.

Ab initio structural and spectroscopic study of HPS{sup x} and HSP{sup x} (x = 0,+1,−1) in the gas phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yaghlane, Saida Ben; Cotton, C. Eric; Francisco, Joseph S., E-mail: francisc@purdue.edu, E-mail: hochlaf@univ-mlv.fr

2013-11-07

Accurate ab initio computations of structural and spectroscopic parameters for the HPS/HSP molecules and corresponding cations and anions have been performed. For the electronic structure computations, standard and explicitly correlated coupled cluster techniques in conjunction with large basis sets have been adopted. In particular, we present equilibrium geometries, rotational constants, harmonic vibrational frequencies, adiabatic ionization energies, electron affinities, and, for the neutral species, singlet-triplet relative energies. Besides, the full-dimensional potential energy surfaces (PESs) for HPS{sup x} and HSP{sup x} (x = −1,0,1) systems have been generated at the standard coupled cluster level with a basis set of augmented quintuple-zeta quality.more » By applying perturbation theory to the calculated PESs, an extended set of spectroscopic constants, including τ, first-order centrifugal distortion and anharmonic vibrational constants has been obtained. In addition, the potentials have been used in a variational approach to deduce the whole pattern of vibrational levels up to 4000 cm{sup −1} above the minima of the corresponding PESs.« less

Structural Dynamics Testing of Advanced Stirling Convertor Components

NASA Technical Reports Server (NTRS)

Oriti, Salvatore M.; Williams, Zachary Douglas

2013-01-01

NASA Glenn Research Center has been supporting the development of Stirling energy conversion for use in space. Lockheed Martin has been contracted by the Department of Energy to design and fabricate flight-unit Advanced Stirling Radioisotope Generators, which utilize Sunpower, Inc., free-piston Advanced Stirling Convertors. The engineering unit generator has demonstrated conversion efficiency in excess of 20 percent, offering a significant improvement over existing radioisotope-fueled power systems. NASA Glenn has been supporting the development of this generator by developing the convertors through a technology development contract with Sunpower, and conducting research and experiments in a multitude of areas, such as high-temperature material properties, organics testing, and convertor-level extended operation. Since the generator must undergo launch, several launch simulation tests have also been performed at the convertor level. The standard test sequence for launch vibration exposure has consisted of workmanship and flight acceptance levels. Together, these exposures simulate what a flight convertor will experience. Recently, two supplementary tests were added to the launch vibration simulation activity. First was a vibration durability test of the convertor, intended to quantify the effect of vibration levels up to qualification level in both the lateral and axial directions. Second was qualification-level vibration of several heater heads with small oxide inclusions in the material. The goal of this test was to ascertain the effect of the inclusions on launch survivability to determine if the heater heads were suitable for flight.

Synthesis of nonlinear frequency responses with experimentally extracted nonlinear modes

NASA Astrophysics Data System (ADS)

Peter, Simon; Scheel, Maren; Krack, Malte; Leine, Remco I.

2018-02-01

Determining frequency response curves is a common task in the vibration analysis of nonlinear systems. Measuring nonlinear frequency responses is often challenging and time consuming due to, e.g., coexisting stable or unstable vibration responses and structure-exciter-interaction. The aim of the current paper is to develop a method for the synthesis of nonlinear frequency responses near an isolated resonance, based on data that can be easily and automatically obtained experimentally. The proposed purely experimental approach relies on (a) a standard linear modal analysis carried out at low vibration levels and (b) a phase-controlled tracking of the backbone curve of the considered forced resonance. From (b), the natural frequency and vibrational deflection shape are directly obtained as a function of the vibration level. Moreover, a damping measure can be extracted by power considerations or from the linear modal analysis. In accordance with the single nonlinear mode assumption, the near-resonant frequency response can then be synthesized using this data. The method is applied to a benchmark structure consisting of a cantilevered beam attached to a leaf spring undergoing large deflections. The results are compared with direct measurements of the frequency response. The proposed approach is fast, robust and provides a good estimate for the frequency response. It is also found that direct frequency response measurement is less robust due to bifurcations and using a sine sweep excitation with a conventional force controller leads to underestimation of maximum vibration response.

Mapping quadrupole collectivity in the Cd isotopes: The breakdown of harmonic vibrational motion

NASA Astrophysics Data System (ADS)

Garrett, P. E.; Green, K. L.; Bangay, J.; Varela, A. Diaz; Sumithrarachchi, C. S.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D. S.; Bianco, L.; Colosimo, S.; Cross, D. S.; Demand, G. A.; Finlay, P.; Garnsworthy, A. B.; Grinyer, G. F.; Hackman, G.; Kulp, W. D.; Leach, K. G.; Morton, A. C.; Orce, J. N.; Pearson, C. J.; Phillips, A. A.; Schumaker, M. A.; Svensson, C. E.; Triambak, S.; Wong, J.; Wood, J. L.; Yates, S. W.

2011-10-01

The stable Cd isotopes have long been used as paradigms for spherical vibrational motion. Extensive investigations with in-beam γ spectroscopy have resulted in very-well-established level schemes, including many lifetimes or lifetime limits. A programme has been initiated to complement these studies with very-high-statistics β decay using the 8π spectrometer at the TRIUMF radioactive beam facility. The decays of 112In and 112Ag have been studied with an emphasis on the observation of, or the placement of stringent limits on, low-energy branches between potential multi-phonon levels. A lack of suitable 0+ or 2+ three-phonon candidates has been revealed. Further, the sum of the B(E2) strength from spin 0+ and 2+ states up to 3 MeV in excitation energy to the assigned two-phonon levels falls far short of the harmonic-vibrational expectations. This lack of strength points to the failing of collective models based on vibrational phonon structures.

Smart Structures for Vibration Control on Long-Term Space Exploration and Habitation Missions

NASA Technical Reports Server (NTRS)

Gattis, Christy B.; Shepard, W. Steve, Jr.

2004-01-01

The current vision for space exploration focuses on human missions to the Moon, Mars, and beyond. To support these goals, it is certain that new vehicles and intermediate bases will be developed, whether that means simply re-direction of the ISS as a "mission research facility" or construction of a lunar base. Since these facilities are expected to be constructed from inherently light-weight materials, this work examines some of the potential sources of vibration and noise as well as means for controlling these vibrations. Many of the operating components within these facilities, such as pumps, fans, and motors, will produce vibrations during operation. These vibrations become structure in which they are housed. Resonances can impact acoustic noise levels and noise quality within the environment, possibly affecting crew health and productivity. For long-term missions in particular, it is expected that crew members will spend significant portions of their time restrained in the structure, such as in seats. As a result, the general health and well-being of the crew can be improved by limiting the harmful effects of human exposure to long-term audible and tactile vibration input. Besides the human factor, this work also examines some operational considerations in which vibrations play an important role. Vibrations can impact the environment for science and in-situ manufacturing research within these vehicles. Since a benign vibratory environment is beneficial for most types of science experiments, there is a need for various forms of vibration control. Because the operational characteristics of a vehicle can change during a long-term mission, it is further expected that the characteristics of many of the vibratory excitations will change with time. Consequently, the form of vibration control needed to improve overall habitability and usefulness of the vehicle or element for exploration missions will rely to some degree on the vibration control system's ability to adapt. To address these needs, this work also examines the development and use of smart materials to tune the dynamic characteristics of the structure in a passive sense. One prime example is the use of an adaptive electrical shunt connected to a piezoelectric patch in order to provide tuned passive vibration damping. The work also examines the use of active vibration control, such as by applying power to that same piezoelectric patch. The overall goal is to examine the use of smart structures that can react to the environment thereby improving the overall living, working, and learning environment for these long-term missions.

Synthesis, characterization, and DFT studies of a new chiral ionic liquid from (S)-1-phenylethylamine

NASA Astrophysics Data System (ADS)

Cui, Shuya; Wang, Tao; Hu, Xiaoli

2014-12-01

A new chiral ionic liquid was synthesized from (S)-1-phenylethylamine and it was studied by IR, Raman, polarimetry, NMR and X-ray crystal diffraction. Its vibrational spectral bands are precisely ascribed to the studied structure with the aid of DFT theoretical calculations. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. The vibrational spectral data obtained from IR and Raman spectra are assigned based on the results of the theoretical calculations by the DFT-B3LYP method at 6-311G(d,p) level. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies. The vibrational modes assignments were performed by using the animation option of GaussView5.0 graphical interface for Gaussian program.

Vibration harvesting in traffic tunnels to power wireless sensor nodes

NASA Astrophysics Data System (ADS)

Wischke, M.; Masur, M.; Kröner, M.; Woias, P.

2011-08-01

Monitoring the traffic and the structural health of traffic tunnels requires numerous sensors. Powering these remote and partially embedded sensors from ambient energies will reduce maintenance costs, and improve the sensor network performance. This work reports on vibration levels detected in railway and road tunnels as a potential energy source for embedded sensors. The measurement results showed that the vibrations at any location in the road tunnel and at the wall in the railway tunnel are too small for useful vibration harvesting. In contrast, the railway sleeper features usable vibrations and sufficient mounting space. For this application site, a robust piezoelectric vibration harvester was designed and equipped with a power interface circuit. Within the field test, it is demonstrated that sufficient energy is harvested to supply a microcontroller with a radio frequency (RF) interface.

New approach for determination of the influence of long-range order and selected ring oscillations on IR spectra in zeolites.

PubMed

Mikuła, Andrzej; Król, Magdalena; Mozgawa, Włodzimierz; Koleżyński, Andrzej

2018-04-15

Vibrational spectroscopy can be considered as one of the most important methods used for structural characterization of various porous aluminosilicate materials, including zeolites. On the other hand, vibrational spectra of zeolites are still difficult to interpret, particularly in the pseudolattice region, where bands related to ring oscillations can be observed. Using combination of theoretical and computational approach, a detailed analysis of these regions of spectra is possible; such analysis should be, however, carried out employing models with different level of complexity and simultaneously the same theory level. In this work, an attempt was made to identify ring oscillations in vibrational spectra of selected zeolite structures. A series of ab initio calculations focused on S4R, S6R, and as a novelty, 5-1 isolated clusters, as well as periodic siliceous frameworks built from those building units (ferrierite (FER), mordenite (MOR) and heulandite (HEU) type) have been carried out. Due to the hierarchical structure of zeolite frameworks it can be expected that the total envelope of the zeolite spectra should be with good accuracy a sum of the spectra of structural elements that build each zeolite framework. Based on the results of HF calculations, normal vibrations have been visualized and detailed analysis of pseudolattice range of resulting theoretical spectra have been carried out. Obtained results have been applied for interpretation of experimental spectra of selected zeolites. Copyright © 2018 Elsevier B.V. All rights reserved.

Using vibrational molecular spectroscopy to reveal association of steam-flaking induced carbohydrates molecular structural changes with grain fractionation, biodigestion and biodegradation

NASA Astrophysics Data System (ADS)

Xu, Ningning; Liu, Jianxin; Yu, Peiqiang

2018-04-01

Advanced vibrational molecular spectroscopy has been developed as a rapid and non-destructive tool to reveal intrinsic molecular structure conformation of biological tissues. However, this technique has not been used to systematically study flaking induced structure changes at a molecular level. The objective of this study was to use vibrational molecular spectroscopy to reveal association between steam flaking induced CHO molecular structural changes in relation to grain CHO fractionation, predicted CHO biodegradation and biodigestion in ruminant system. The Attenuate Total Reflectance Fourier-transform Vibrational Molecular Spectroscopy (ATR-Ft/VMS) at SRP Key Lab of Molecular Structure and Molecular Nutrition, Ministry of Agriculture Strategic Research Chair Program (SRP, University of Saskatchewan) was applied in this study. The fractionation, predicted biodegradation and biodigestion were evaluated using the Cornell Net Carbohydrate Protein System. The results show that: (1) The steam flaking induced significant changes in CHO subfractions, CHO biodegradation and biodigestion in ruminant system. There were significant differences between non-processed (raw) and steam flaked grain corn (P < .01); (2) The ATR-Ft/VMS molecular technique was able to detect the processing induced CHO molecular structure changes; (3) Induced CHO molecular structure spectral features are significantly correlated (P < .05) to CHO subfractions, CHO biodegradation and biodigestion and could be applied to potentially predict CHO biodegradation (R2 = 0.87, RSD = 0.74, P < .01) and intestinal digestible undegraded CHO (R2 = 0.87, RSD = 0.24, P < .01). In summary, the processing induced molecular CHO structure changes in grain corn could be revealed by the ATR-Ft/VMS vibrational molecular spectroscopy. These molecular structure changes in grain were potentially associated with CHO biodegradation and biodigestion.

[Vibration disease: hygienic and medical aspects].

PubMed

Rusanova, D V; Kuleshova, M V; Katamanova, E V; Kartapoltseva, N V; Pankov, V A; Lakhman, O L; Kazakova, P V; Kuptsova, N G

The hygienic assessment of working conditions of employees exposed to local vibration established that working conditions for employees ofvibration dangerous occupations at the aircraft plant according to the degree from a health standpoint and hazard are referred to the fourth (dangerous) class of the degree of danger that stipulates stable high levels of the morbidity rate. The leading factor is a local vibration that results in the consistently high levels of occupational morbidity rate. There was shown the efficiency of the use of the pulsed magnetic stimulation in the treatment ofpatients with vibration disease associated with the exposure to local vibration. For the evaluation of the effectiveness of treatment in patients the condition of the central nervous system was determined with the use of computer electroencephalography with the registration of visual and auditory evoked potentials and somatosensory evoked potentials; there was studied the state of the peripheral nerves in arms and legs relying upom electromyographic data; there was performed psychological study. After the performance of pulse magnetic stimulation in patients diagnosed to have the vibration diseases there were observed the improvement in the interaction of cortical-subcortical structures and associative areas of the frontal and temporal lobes of the brain. After treatment there was noted the shortening of the time of the conduction of the afferent wave of the excitation at the level of the cervical spinal cord, subcortical structures and the central conduction time. There was restored previously reduced the speed of the conduction of the impulse via the distal parts of the tibial and median nerve, through the ulnar nerve in the area of the elbow joint. There was noted the rise in the average temperature on the hands; the decline of thresholds of vibration and pain sensitivity; the improvement of indices characterizing of the state of mnestic- attentional and psycho-emotional scope of activity.

Prediction of the acoustic and bubble fields in insonified freeze-drying vials.

PubMed

Louisnard, O; Cogné, C; Labouret, S; Montes-Quiroz, W; Peczalski, R; Baillon, F; Espitalier, F

2015-09-01

The acoustic field and the location of cavitation bubble are computed in vials used for freeze-drying, insonified from the bottom by a vibrating plate. The calculations rely on a nonlinear model of sound propagation in a cavitating liquid [Louisnard, Ultrason. Sonochem., 19, (2012) 56-65]. Both the vibration amplitude and the liquid level in the vial are parametrically varied. For low liquid levels, a threshold amplitude is required to form a cavitation zone at the bottom of the vial. For increasing vibration amplitudes, the bubble field slightly thickens but remains at the vial bottom, and the acoustic field saturates, which cannot be captured by linear acoustics. On the other hand, increasing the liquid level may promote the formation of a secondary bubble structure near the glass wall, a few centimeters below the free liquid surface. These predictions suggest that rather complex acoustic fields and bubble structures can arise even in such small volumes. As the acoustic and bubble fields govern ice nucleation during the freezing step, the final crystal's size distribution in the frozen product may crucially depend on the liquid level in the vial. Copyright © 2015 Elsevier B.V. All rights reserved.

DFT calculation and vibrational spectroscopic studies of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine

NASA Astrophysics Data System (ADS)

Premkumar, S.; Jawahar, A.; Mathavan, T.; Kumara Dhas, M.; Sathe, V. G.; Milton Franklin Benial, A.

2014-08-01

The molecular structure of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine (BABP) was optimized by the DFT/B3LYP method with 6-311G (d,p), 6-311++G (d,p) and cc-pVTZ basis sets using the Gaussian 09 program. The most stable optimized structure of the molecule was predicted by the DFT/B3LYP method with cc-pVTZ basis set. The vibrational frequencies, Mulliken atomic charge distribution, frontier molecular orbitals and thermodynamical parameters were calculated. These calculations were done at the ground state energy level of BABP without applying any constraint on the potential energy surface. The vibrational spectra were experimentally recorded using Fourier Transform-Infrared (FT-IR) and micro-Raman spectrometer. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies. The complete theoretically calculated and experimentally observed vibrational frequencies were assigned on the basis of Potential Energy Distribution (PED) calculation using the VEDA 4.0 program. The vibrational modes assignments were performed by using the animation option of GaussView 05 graphical interface for Gaussian program. The Mulliken atomic charge distribution was calculated for BABP molecule. The molecular reactivity and stability of BABP were also studied by frontier molecular orbitals (FMOs) analysis.

Vibrational spectroscopic studies of Isoleucine by quantum chemical calculations.

PubMed

Moorthi, P P; Gunasekaran, S; Ramkumaar, G R

2014-04-24

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of Isoleucine (2-Amino-3-methylpentanoic acid). The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments, thermodynamics properties, NBO analyses, NMR chemical shifts and ultraviolet-visible spectral interpretation of Isoleucine have been studied by performing MP2 and DFT/cc-pVDZ level of theory. The FTIR, FT-Raman spectra were recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1) respectively. The UV-visible absorption spectra of the compound were recorded in the range of 200-800 nm. Computational calculations at MP2 and B3LYP level with basis set of cc-pVDZ is employed in complete assignments of Isoleucine molecule on the basis of the potential energy distribution (PED) of the vibrational modes, calculated using VEDA-4 program. The calculated wavenumbers are compared with the experimental values. The difference between the observed and calculated wavenumber values of most of the fundamentals is very small. (13)C and (1)H nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method and compared with experimental results. The formation of hydrogen bond was investigated in terms of the charge density by the NBO calculations. Based on the UV spectra and TD-DFT calculations, the electronic structure and the assignments of the absorption bands were carried out. Besides, molecular electrostatic potential (MEP) were investigated using theoretical calculations. Copyright © 2014 Elsevier B.V. All rights reserved.

The choice of boundary conditions and mesh for scaffolding FEM model on the basis of natural vibrations measurements

NASA Astrophysics Data System (ADS)

Cyniak, Patrycja; Błazik-Borowa, Ewa; Szer, Jacek; Lipecki, Tomasz; Szer, Iwona

2018-01-01

Scaffolding is a specific construction with high susceptibility to low frequency vibrations. The numerical model of scaffolding presented in this paper contains real imperfections received from geodetic measurements of real construction. Boundary conditions were verified on the basis of measured free vibrations. A simulation of a man walking on penultimate working level as a dynamic load variable in time was made for verified model. The paper presents procedure for a choice of selected parameters of the scaffolding FEM model. The main aim of analysis is the best projection of the real construction and correct modeling of worker walking on the scaffolding. Different boundary conditions are considered, because of their impact on construction vibrations. Natural vibrations obtained from FEM calculations are compared with free vibrations measured during in-situ tests. Structure accelerations caused by walking human are then considered in this paper. Methodology of creating numerical models of scaffoldings and analysis of dynamic effects during human walking are starting points for further considerations about dynamic loads acting on such structures and effects of these loads to construction and workers, whose workplaces are situated on the scaffolding.

Experimental demonstration of 1.5Hz passive isolation system for precision optical payloads

NASA Astrophysics Data System (ADS)

Guan, Xin; Wang, Guang-yuan; Cao, Dong-jing; Tang, Shao-fan; Chen, Xiang; Liang, Lu; Zheng, Gang-tie

2017-11-01

The ground resolution of remote sensing satellite has been raised from hundreds of meters to less than one meter in recent few decades. As a result, the precision optical payload becomes more and more sensitive to structure vibrations of satellite buses. Although these vibrations generally have extremely low magnitude, they can result in significant image quality degradation to an optical payload. The suggestion of using vibration isolators to isolate payload from the satellite bus has been put forward in 1980s'[1]. Recently, WorldView-2 achieved its perfect image quality via using a set of low frequency isolators[2]. Recently, some of the optical payload manufacturers begin to provide vibration isolators as standard parts together with their main products . During the prototype testing of an earth resource satellite, the image of the optical payload was found to jitter for 5 10 pixels due to disturbances transmitted from the satellite bus structure. Test results indicated that the acceleration level of the vibration was of mG magnitude. To solve the problem, a highly sensitive vibration isolation system was developed to reduce the transmission of disturbances. Integrated isolation performance tests showed that the image jitter can be decreased to below 0.3 pixels.

Experimental investigation of jet pulse control on flexible vibrating structures

NASA Astrophysics Data System (ADS)

Karaiskos, Grigorios; Papanicolaou, Panos; Zacharopoulos, Dimitrios

2016-08-01

The feasibility of applying on-line fluid jet pulses to actively control the vibrations of flexible structures subjected to harmonic and earthquake-like base excitations provided by a shake table is explored. The operating principles and capabilities of the control system applied have been investigated in a simplified small-scale laboratory model that is a mass attached at the top free end of a vertical flexible slender beam with rectangular cross-section, the other end of which is mounted on an electrodynamic shaker. A pair of opposite jets placed on the mass at the top of the cantilever beam applied the appropriate forces by ejecting pressurized air pulses controlled by on/off solenoid electro-valves via in house developed control software, in order to control the vibration caused by harmonic, periodic and random excitations at pre-selected frequency content provided by the shaker. The dynamics of the structure was monitored by accelerometers and the jet impulses by pressure sensors. The experimental results have demonstrated the effectiveness and reliability of Jet Pulse Control Systems (JPCS). It was verified that the measured root mean square (RMS) vibration levels of the controlled structure from harmonic and earthquake base excitations, could be reduced by approximately 50% and 33% respectively.

Theoretical and experimental study of the conformational and vibrational properties of benzoin

NASA Astrophysics Data System (ADS)

Pawelka, Zbignew; Kryachko, Eugene S.; Zeegers-Huyskens, Thérèse

2003-02-01

The conformational and vibrational properties of benzoin are theoretically studied at the B3LYP/6-31+G(d,p) computational level. Three lower energy stable structures are found on its potential energy surface. The two first structures correspond to cis- and trans-benzoin. The cis isomer, stabilized by an intramolecular OH⋯O hydrogen bond, is more favorable by 3.4 kcal mol -1 over the trans isomer. The third structure refers to the dienol tautomer ( cis-stilbendiol) which is less stable by 7.6 kcal mol -1. In carbon tetrachloride, benzoin is in the cis conformation. The calculated vibrational frequencies are compared with the experimental ones. When the ν(OH) and ν(CH) vibrations are corrected for anharmonicities, an average scaling factor of 0.980 is deduced. The IR and Raman spectra of solid benzoin are analyzed as well and discussed in terms of the structure determined by X-ray diffraction [Acta crystallogr. B 36 (1980) 2832]. The isotopic ratio ν(OH)/ ν(OD) reflects the weakness of the intramolecular hydrogen bond in solution and of the intermolecular hydrogen bond in the solid state. This weakness can be accounted for by the great departure of the hydrogen bond from linearity.

Response measurements for two building structures excited by noise from a large horizontal axis wind turbine generator

NASA Technical Reports Server (NTRS)

Hubbard, H. H.; Shepherd, K. P.

1984-01-01

Window and wall acceleration measurements and interior noise measurements ere made for two different building structures during excitation by noise from the WTS-4 horizontal axis wind turbine generator operating in a normal power generation mode. With turbine noise input pulses resulted in acceleration pulses for the wall and window elements of the two tests buildings. Response spectra suggest that natural vibration modes of the structures are excited. Responses of a house trailer were substantially greater than those for a building of sturdier construction. Peak acceleration values correlate well with similar data for houses excited by flyover noise from commercial and military airplanes and helicopters, and sonic booms from supersonic aircraft. Interior noise spectra have peaks at frequencies corresponding to structural vibration modes and room standing waves; and the levels for particular frequencies and locations can be higher than the outside levels.

Experiment on the concrete slab for floor vibration evaluation of deteriorated building

NASA Astrophysics Data System (ADS)

Hong, S. U.; Na, J. H.; Kim, S. H.; Lee, Y. T.

2014-08-01

Damages from noise and vibration are increasing every year, and most of which are noises between floors in deteriorated building caused by floor impact sound. In this study, the floor vibration of the deteriorated buildings constructed with the concrete slabs of thickness no more than 150 mm was evaluated by the vibration impact sound. This highly reliable study was conducted to assess floor vibration according with the serviceability evaluation standard of Reiher / Meister and Koch and vibration evaluation standard of ISO and AIJ. Designed pressure for the concrete slab sample of floor vibration assessment was 24MPa, and the sample was manufactured pursuant to KS F 2865 and JIS A 1440-2 with size of 3200 mm × 3200 mm × 140 mm. Tests were conducted twice with accelerometers, and Fast Fourier Transform was performed for comparative analysis by the vibration assessment criteria. The peak displacement from Test 1 was in the range of 0.00869 - 0.02540 mm; the value of peak frequency ranged from 18 to 27 Hz, and the average value was 22Hz. The peak acceleration value from Test 2 was in the range of 0.47 - 1.07 % g; the value of peak frequency was 18.5 - 22.57 Hz, and the average was 21Hz. The vibration was apparently recognizable in most cases according to the Reiher/Meister standard. In case of Koch graph for the damage assessment of the structure, the vibration was at the medium level and causes no damage to the building structure. The measured vibration results did not exceed the damage limit or serviceability limit of building according to the vibration assessment criteria of ISO and residential assessment guidelines provided by Architectural Institute of Japan (AIJ).

Experiments on reduction of propeller induced interior noise by active control of cylinder vibration

NASA Technical Reports Server (NTRS)

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

1987-01-01

The feasibility of reducing interior noise caused by advanced turbo propellers by controlling the vibration of aircraft fuselages was investigated by performing experiments in an anechoic chamber with an aircraft model test rig and apparatus. It was found that active vibration control provides reasonable global attenuation of interior noise levels for the cases of resonant (at 576 Hz) and forced (at 708 Hz) system response. The controlling mechanism behind the effect is structural-acoustic coupling between the shell and the contained field, termed interface modal filtering.

Piezoelectric Shunt Vibration Damping of F-15 Panel under High Acoustic Excitation

NASA Technical Reports Server (NTRS)

Wu, Shu-Yau; Turner, Travis L.; Rizzi, Stephen A.

2000-01-01

At last year's SPIE symposium, we reported results of an experiment on structural vibration damping of an F-15 underbelly panel using piezoelectric shunting with five bonded PZT transducers. The panel vibration was induced with an acoustic speaker at an overall sound pressure level (OASPL) of about 90 dB. Amplitude reductions of 13.45 and 10.72 dB were achieved for the first and second modes, respectively, using single- and multiple-mode shunting. It is the purpose of this investigation to extend the passive piezoelectric shunt-damping technique to control structural vibration induced at higher acoustic excitation levels, and to examine the controllability and survivability of the bonded PZT transducers at these high levels. The shunting experiment was performed with the Thermal Acoustic Fatigue Apparatus (TAFA) at the NASA Langley Research Center using the same F-15 underbelly panel. The TAFA is a progressive wave tube facility. The panel was mounted in one wall of the TAFA test section using a specially designed mounting fixture such that the panel was subjected to grazing-incidence acoustic excitation. Five PZT transducers were used with two shunt circuits designed to control the first and second modes of the structure between 200 and 400 Hz. We first determined the values of the shunt inductance and resistance at an OASPL of 130 dB. These values were maintained while we gradually increased the OASPL from 130 to 154 dB in 6-dB steps. During each increment, the frequency response function between accelerometers on the panel and the acoustic excitation measured by microphones, before and after shunting, were recorded. Good response reduction was observed up to the 148dB level. The experiment was stopped at 154 dB due to wire breakage from vibration at a transducer wire joint. The PZT transducers, however, were still bonded well on the panel and survived at this high dB level. We also observed shifting of the frequency peaks toward lower frequency when the OASPL was increased. Detailed experimental results will be presented.

A flexural crack model for damage detection in reinforced concrete structures

NASA Astrophysics Data System (ADS)

Hamad, W. I.; Owen, J. S.; Hussein, M. F. M.

2011-07-01

The use of changes in vibration data for damage detection of reinforced concrete structures faces many challenges that obstruct its transition from a research topic to field applications. Among these is the lack of appropriate damage models that can be deployed in the damage detection methods. In this paper, a model of a simply supported reinforced concrete beam with multiple cracks is developed to examine its use for damage detection and structural health monitoring. The cracks are simulated by a model that accounts for crack formation, propagation and closure. The beam model is studied under different dynamic excitations, including sine sweep and single excitation frequency, for various damage levels. The changes in resonant frequency with increasing loads are examined along with the nonlinear vibration characteristics. The model demonstrates that the resonant frequency reduces by about 10% at the application of 30% of the ultimate load and then drops gradually by about 25% at 70% of the ultimate load. The model also illustrates some nonlinearity in the dynamic response of damaged beams. The appearance of super-harmonics shows that the nonlinearity is higher when the damage level is about 35% and then decreases with increasing damage. The restoring force-displacement relationship predicted the reduction in the overall stiffness of the damaged beam. The model quantitatively predicts the experimental vibration behaviour of damaged RC beams and also shows the damage dependency of nonlinear vibration behaviour.

AlN-based piezoelectric bimorph microgenerator utilizing low-level non-resonant excitation

NASA Astrophysics Data System (ADS)

Hampl, Stefan; Cimalla, Volker; Polster, Tobias; Hoffmann, Martin

2011-06-01

This work aims for utilizing human ocular motion for the self-sufficient power supply of a minimally invasive implantable monitoring system for intraocular pressure (IOP). With a proven piezoelectric functionality (d33>5 pm/V), nanocrystalline thin films of aluminum nitride (AlN) provide a good capability for micromechanical energy harvesting (EH) in medical applications. Many d31-mode microcantilever architectures are poorly suited for human-induced EH: Resonant mass-spring-damper systems are tested under high, narrow-band excitation frequencies. However, human motions, e.g. vibrations of eyeballs are marked by their low frequency, unpredictable, mainly aperiodic and time-varying signature. Different vibration types and directions are 3-dimensionally superimposed. Saccadic eye movements are favorable for inertial microgenerators because of their high dynamic loading (ω<=1000°/s). Our generator concept (symmetric active/active-parallel-bimorph cantilever) enables a high structural compliance by maximizing the piezoactive volume at very low cantilever thicknesses (<1 μm). An increased length and seismic mass enable an effective excitation by low-level aperiodic vibrations such as saccadic acceleration impulses. Analytic calculations and FEA-simulations investigate the potential distribution and transient response of different bimorph structures (length 200- 1000 μm, width 20-200 μm) on broadband vibrations. First released monomorph and bimorph structures show very low resonant frequencies and an adequate robustness.

Vibration-Based Method Developed to Detect Cracks in Rotors During Acceleration Through Resonance

NASA Technical Reports Server (NTRS)

Sawicki, Jerzy T.; Baaklini, George Y.; Gyekenyesi, Andrew L.

2004-01-01

In recent years, there has been an increasing interest in developing rotating machinery shaft crack-detection methodologies and online techniques. Shaft crack problems present a significant safety and loss hazard in nearly every application of modern turbomachinery. In many cases, the rotors of modern machines are rapidly accelerated from rest to operating speed, to reduce the excessive vibrations at the critical speeds. The vibration monitoring during startup or shutdown has been receiving growing attention (ref. 1), especially for machines such as aircraft engines, which are subjected to frequent starts and stops, as well as high speeds and acceleration rates. It has been recognized that the presence of angular acceleration strongly affects the rotor's maximum response to unbalance and the speed at which it occurs. Unfortunately, conventional nondestructive evaluation (NDE) methods have unacceptable limits in terms of their application for online crack detection. Some of these techniques are time consuming and inconvenient for turbomachinery service testing. Almost all of these techniques require that the vicinity of the damage be known in advance, and they can provide only local information, with no indication of the structural strength at a component or system level. In addition, the effectiveness of these experimental techniques is affected by the high measurement noise levels existing in complex turbomachine structures. Therefore, the use of vibration monitoring along with vibration analysis has been receiving increasing attention.

Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone.

PubMed

Sert, Yusuf; Miroslaw, Barbara; Çırak, Çağrı; Doğan, Hatice; Szulczyk, Daniel; Struga, Marta

2014-07-15

In this study, the experimental and theoretical vibrational spectral analysis of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone have been carried out. The experimental FT-IR (4000-400 cm(-1)) and Laser-Raman spectra (4000-100 cm(-1)) have been recorded for the solid state samples. The theoretical vibrational frequencies and the optimized geometric parameters (bond lengths and angles) have been calculated for gas phase using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with 6-311++G(d,p) basis set. The diversity in molecular geometry of fluorophenyl substituted thiosemicarbazones has been discussed based on the X-ray crystal structure reports and theoretical calculation results from the literature. The assignments of the vibrational frequencies have been done on the basis of potential energy distribution (PED) analysis by using VEDA4 software. A good correlation was found between the computed and experimental geometric and vibrational data. In addition, the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbital energy levels and other related molecular energy values of the compound have been determined using the same level of theoretical calculations. Copyright © 2014 Elsevier B.V. All rights reserved.

Vibrational assignment and structure of trinuclear oxo-centered of basic formate iron(III) and chromium(III) complexes: A density functional theory study

NASA Astrophysics Data System (ADS)

Kiana, Samaneh; Yazdanbakhsh, Mohammad; Jamialahmadi, Mina; Tayyari, Sayyed Faramarz

2014-09-01

[Fe3O(OOCH)6(H2O)3]OOCH·HCOOH, and [Cr3O(OOCH)6(H2O)3]OOCH·2.5HNO3 were synthesized and the molecular structure and vibrational assignments of their cations were investigated by means of density functional theory (DFT) calculations. The harmonic vibrational frequencies of [Fe3O(OOCH)6(H2O)3]+ and [Cr3O(OOCH)6(H2O)3]+ were obtained at the UB3LYP level using a series of basis sets. The topological properties of the charge distribution of both cations in their ground states are discussed in detail by means of natural bond orbital (NBO) theory and of [Fe3O(OOCH)6(H2O)3]+ by the quantum theory of atoms in molecules (AIM). The calculated geometrical parameters and vibrational frequencies were compared with the experimental results. The scaled theoretical frequencies and the structural parameters were found to be in good agreement with the experimental data.

A comparative study of the vibrational spectra of the anticancer drug melphalan and its fundamental molecules 3-phenylpropionic acid and L-phenylalanine

NASA Astrophysics Data System (ADS)

Badawi, Hassan M.; Khan, Ibrahim

2016-04-01

The structural stability and the vibrational spectra of the anticancer drug melphalan and its parent compounds 3-phenylpropionic acid and L-phenylalanine were investigated by the DFT B3LYP/6-311G** calculations. Melphalan and its fundamental compounds were predicted to exist predominantly in non-planar structures. The vibrational frequencies of the low energy structures of melphalan, 3-phenylpropionic acid, and phenylalanine were computed at the DFT B3LYP level of theory. Complete vibrational assignments of the normal modes of melphalan, 3-phenylpropionic acid, and phenylalanine were provided by combined theoretical and experimental data of the molecules. The experimental infrared spectra of phenylalanine and melphalan show a significantly different pattern of the Cdbnd O stretching mode as compared to those of normal carboxylic acids. A comparison of the 3700-2000 cm-1 infrared spectral region of the three molecules suggests the presence of similar intermolecular H-bonding in their condensed phases. The observed infrared and Raman spectra are consistent with the presence of one predominant melphalan conformation at room temperature.

Vibrational spectra and structure of benzil and its 18O- and d 10-labelled derivatives: a quantum chemical and experimental study

NASA Astrophysics Data System (ADS)

Kolev, Tsonko M.; Stamboliyska, Bistra A.

2002-12-01

Geometry and vibrational spectroscopic data of benzil-d 0 benzil-d 10 and benzil- 18O calculated at various levels of theory (RHF/6-31G*, B3LYP/6-31G*, BLYP/6-31G*) are reported. The theoretical results are discussed mainly in terms of the comparisons with infrared (4000-100 cm -1) and Raman (4000-50 cm -1) spectral data. The calculated isotopic frequency shifts, induced by the 18O- and d 10-labeling, are in a good agreement with the measured values. A complete vibrational assignment was made with the help of ab initio force field calculations. The data thus obtained were used for reassigning some vibrational frequencies. The results of the optimized molecular structure obtained on the basis of RHF and the DFT calculations are presented and compared with the experimental X-ray diffraction for the benzil-d 0 single crystal. It turns out that the best structural parameters are predicted by the B3LYP/6-31G* method.

Vibrational spectra and structure of benzil and its 18O- and d10-labelled derivatives: a quantum chemical and experimental study.

PubMed

Kolev, Tsonko M; Stamboliyska, Bistra A

2002-12-01

Geometry and vibrational spectroscopic data of benzil-d0 benzil-d10 and benzil-18O calculated at various levels of theory (RHF/6-31G*, B3LYP/6-31G*, BLYP/6-31G*) are reported. The theoretical results are discussed mainly in terms of the comparisons with infrared (4000-100 cm(-1)) and Raman (4000-50 cm(-1)) spectral data. The calculated isotopic frequency shifts, induced by the 18O- and d10-labeling, are in a good agreement with the measured values. A complete vibrational assignment was made with the help of ab initio force field calculations. The data thus obtained were used for reassigning some vibrational frequencies. The results of the optimized molecular structure obtained on the basis of RHF and the DFT calculations are presented and compared with the experimental X-ray diffraction for the benzil-d0 single crystal. It turns out that the best structural parameters are predicted by the B3LYP/6-31G* method.

Structural, electronic and vibrational properties of few-layer 2H-and 1T-TaSe 2

DOE PAGES

Yan, Jia -An; Dela Cruz, Mack A.; Cook, Brandon G.; ...

2015-11-16

Two-dimensional metallic transition metal dichalcogenides (TMDs) are of interest for studying phenomena such as charge-density wave (CDW) and superconductivity. Few-layer tantalum diselenides (TaSe 2) are typical metallic TMDs exhibiting rich CDW phase transitions. However, a description of the structural, electronic and vibrational properties for different crystal phases and stacking configurations, essential for interpretation of experiments, is lacking. We present first principles calculations of structural phase energetics, band dispersion near the Fermi level, phonon properties and vibrational modes at the Brillouin zone center for different layer numbers, crystal phases and stacking geometries. Evolution of the Fermi surfaces as well as themore » phonon dispersions as a function of layer number reveals dramatic dimensionality effects in this CDW material. Lastly, our results indicate strong electronic interlayer coupling, detail energetically possible stacking geometries, and provide a basis for interpretation of Raman spectra.« less

The Shock and Vibration Digest. Volume 8, Number 2, February 1976

DTIC Science & Technology

1976-02-01

B. The procedure for applying this technique to a structure com- posed of many substructures is discussed , 22 CURRENT LITERATURE 76-162 76-164... a more complete listing of during the period t April 1974 to 31 March software developed for structural problems see 1975. Subjects discussed are...programs, acoustic pressure levels, A -weighted noise levels, signatures perceived noise levels, and effective perceived noise levels are calculated

Structural and vibrational spectroscopic analysis of anticancer drug mitotane using DFT method; a comparative study of its parent structure

NASA Astrophysics Data System (ADS)

Mariappan, G.; Sundaraganesan, N.

2015-04-01

A comprehensive screening of the density functional theoretical approach to structural analysis is presented in this section. DFT calculations using B3LYP/6-311++G(d,p) level of theory were found to yield results that are very comparable to experimental IR and Raman spectra. Computed geometrical parameters and harmonic vibrational wavenumbers of the fundamentals were found in satisfactory agreement with the experimental data and also its parent structure. The vibrational assignments of the normal modes were performed on the basis of the potential energy distribution (PED) calculations. It can be proven from the comparative results of mitotane and its parent structure Dichlorodiphenyldichloroethane (DDD), the intramolecular nonbonding interaction between (C1sbnd H19⋯Cl18) in the ortho position which is calculated 2.583 Å and the position of the substitution takeover the vibrational wavenumber to redshift of 47 cm-1. In addition, natural bond orbital (NBO) analysis has been performed for analyzing charge delocalization throughout the molecule. Stability of the molecule arising from hyperconjugative interactions leading to its bioactivity and charge delocalization has been analyzed. 13C and 1H nuclear magnetic resonance chemical shifts of the molecule have been calculated using the gauge independent atomic orbital (GIAO) method and compared with published results.

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

NASA Astrophysics Data System (ADS)

Hirano, Tsuneo; Nagashima, Umpei; Jensen, Per

2018-04-01

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

Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study.

PubMed

Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina

2017-05-04

The medium-resolution gas-phase infrared (IR) spectra of 1-bromo-1-fluoroethene (BrFC═CH 2 , 1,1-C 2 H 2 BrF) were investigated in the range 300-6500 cm -1 , and the vibrational analysis led to the assignment of all fundamentals as well as many overtone and combination bands up to three quanta, thus giving an accurate description of its vibrational structure. Integrated band intensity data were determined with high precision from the measurements of their corresponding absorption cross sections. The vibrational analysis was supported by high-level ab initio investigations. CCSD(T) computations accounting for extrapolation to the complete basis set and core correlation effects were employed to accurately determine the molecular structure and harmonic force field. The latter was then coupled to B2PLYP and MP2 computations in order to account for mechanical and electrical anharmonicities. Second-order perturbative vibrational theory was then applied to the thus obtained hybrid force fields to support the experimental assignment of the IR spectra.

Resonant vibration control of rotating beams

NASA Astrophysics Data System (ADS)

Svendsen, Martin Nymann; Krenk, Steen; Høgsberg, Jan

2011-04-01

Rotating structures, like e.g. wind turbine blades, may be prone to vibrations associated with particular modes of vibration. It is demonstrated, how this type of vibrations can be reduced by using a collocated sensor-actuator system, governed by a resonant controller. The theory is here demonstrated by an active strut, connecting two cross-sections of a rotating beam. The structure is modeled by beam elements in a rotating frame of reference following the beam. The geometric stiffness is derived in a compact form from an initial stress formulation in terms of section forces and moments. The stiffness, and thereby the natural frequencies, of the beam depend on the rotation speed and the controller is tuned to current rotation speed to match the resonance frequency of the selected mode. It is demonstrated that resonant control leads to introduction of the intended level of damping in the selected mode and, with good modal connectivity, only very limited modal spill-over is generated. The controller acts by resonance and therefore has only a moderate energy consumption, and successfully reduces modal vibrations at the resonance frequency.

Investigation of Concrete Floor Vibration Using Heel-Drop Test

NASA Astrophysics Data System (ADS)

Azaman, N. A. Mohd; Ghafar, N. H. Abd; Azhar, A. F.; Fauzi, A. A.; Ismail, H. A.; Syed Idrus, S. S.; Mokhjar, S. S.; Hamid, F. F. Abd

2018-04-01

In recent years, there is an increased in floor vibration problems of structures like residential and commercial building. Vibration is defined as a serviceability issue related to the comfort of the occupant or damage equipment. Human activities are the main source of vibration in the building and it could affect the human comfort and annoyance of residents in the building when the vibration exceed the recommend level. A new building, Madrasah Tahfiz located at Yong Peng have vibration problem when load subjected on the first floor of the building. However, the limitation of vibration occurs on building is unknown. Therefore, testing is needed to determine the vibration behaviour (frequency, damping ratio and mode shape) of the building. Heel-drop with pace 2Hz was used in field measurement to obtain the vibration response. Since, the heel-drop test results would vary in light of person performance, test are carried out three time to reduce uncertainty. Natural frequency from Frequency Response Function analysis (FRF) is 17.4Hz, 16.8, 17.4Hz respectively for each test.

Detection and Identification of the Vibrational Markers for the Quantification of Methionine Oxidation in Therapeutic Proteins.

PubMed

Balakrishnan, Gurusamy; Barnett, Gregory V; Kar, Sambit R; Das, Tapan K

2018-05-17

Methionine oxidation is a major degradation pathway in therapeutic proteins which can impact the structure and function of proteins as well as risk to drug product quality. Detecting Met oxidation in proteins by peptide mapping followed by liquid chromatography with mass spectrometry (LC-MS) is the industry standard but is also labor intensive and susceptible to artifacts. In this work, vibrational difference spectroscopy in combination with 18 O isotopic shift enabled us to demonstrate the application of Raman and FTIR techniques for the detection and quantification of Met oxidation in various therapeutic proteins, including mAbs, fusion proteins, and antibody drug conjugate. Vibrational markers of Met oxidation products, such as sulfoxide and sulfone, corresponding to S═O and C-S═O stretching frequencies were unequivocally identified based 18 O isotoptic shifts. The intensity of the isolated νC-S Raman band at 702 cm -1 was successfully applied to quantify the average Met oxidation level in multiple proteins. These results are further corroborated by oxidation levels measured by tryptic peptide mapping, and thus the confirmed Met oxidation levels derived from Raman and mass spectrometry are indeed consistent with each other. Thus, we demonstrate the broader application of vibrational spectroscopy to detect the subtle spectral changes associated with various chemical or physical degradation of proteins, including Met oxidation as well as higher order structural changes.

Vibration sensing method and apparatus

DOEpatents

Barna, B.A.

1989-04-25

A method and apparatus for nondestructive evaluation of a structure are disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration. 4 figs.

Vibration sensing method and apparatus

DOEpatents

Barna, B.A.

1987-07-07

A method and apparatus for nondestructive evaluation of a structure is disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration. 4 figs.

Vibration sensing method and apparatus

DOEpatents

Barna, Basil A.

1989-04-25

A method and apparatus for nondestructive evaluation of a structure is disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration.

Synthesis, characterization, and DFT studies of a new chiral ionic liquid from (S)-1-phenylethylamine.

PubMed

Cui, Shuya; Wang, Tao; Hu, Xiaoli

2014-12-10

A new chiral ionic liquid was synthesized from (S)-1-phenylethylamine and it was studied by IR, Raman, polarimetry, NMR and X-ray crystal diffraction. Its vibrational spectral bands are precisely ascribed to the studied structure with the aid of DFT theoretical calculations. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. The vibrational spectral data obtained from IR and Raman spectra are assigned based on the results of the theoretical calculations by the DFT-B3LYP method at 6-311G(d,p) level. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies.The vibrational modes assignments were performed by using the animation option of GaussView5.0 graphical interface for Gaussian program. Copyright © 2014 Elsevier B.V. All rights reserved.

Distributed friction damping of travelling wave vibration in rods.

PubMed

Tangpong, Xiangqing W; Wickert, Jonathan A; Akay, Adnan

2008-03-13

A ring damper can be affixed to a rotating base structure such as a gear, an automotive brake rotor or a gas turbine's labyrinth air seal. Depending on the frequency range, wavenumber and level of preload, vibration of the base structure can be effectively and passively attenuated by friction that develops along the interface between it and the damper. The assembly is modelled as two rods that couple in longitudinal vibration through spatially distributed hysteretic friction, with each rod having periodic boundary conditions in a manner analogous to an unwrapped ring and disc. As is representative of rotating machinery applications, the system is driven by a travelling wave disturbance, and for that form of excitation, the base structure's and the damper's responses are determined without the need for computationally intensive simulation. The damper's performance can be optimized with respect to normal preload, and its effectiveness is insensitive to variations in preload or the excitation's magnitude when its natural frequency is substantially lower than the base structure's in the absence of contact.

Response of a store with tunable natural frequencies in compressible cavity flow

DOE PAGES

Wagner, Justin L.; Casper, Katya M.; Beresh, Steven J.; ...

2016-05-20

Fluid–structure interactions that occur during aircraft internal store carriage were experimentally explored at Mach 0.58–1.47 using a generic, aerodynamic store installed in a rectangular cavity having a length-to-depth ratio of seven. The store vibrated in response to the cavity flow at its natural structural frequencies, and it exhibited a directionally dependent response to cavity resonance frequencies. Cavity tones excited the store in the streamwise and wall-normal directions consistently, whereas the spanwise response to cavity tones was much more limited. Increased surface area associated with tail fins raised vibration levels. The store had interchangeable components to vary its natural frequencies bymore » about 10–300 Hz. By tuning natural frequencies, mode-matched cases were explored where a prominent cavity tone frequency matched a structural natural frequency of the store. Mode matching in the streamwise and wall-normal directions produced substantial increases in peak store vibrations, though the response of the store remained linear with dynamic pressure. Near mode-matched frequencies, changes in cavity tone frequencies of only 1% altered store peak vibrations by as much as a factor of two. In conclusion, mode matching in the spanwise direction did little to increase vibrations.« less

NASTRAN nonlinear vibration analysis of beam and frame structures

NASA Technical Reports Server (NTRS)

Mei, C.; Rogers, J. L., Jr.

1975-01-01

A capability for the nonlinear vibration analysis of beam and frame structures suitable for use with NASTRAN level 15.5 is described. The nonlinearity considered is due to the presence of axial loads induced by longitudinal end restraints and lateral displacements that are large compared to the beam height. A brief discussion is included of the mathematical analysis and the geometrical stiffness matrix for a prismatic beam (BAR) element. Also included are a brief discussion of the equivalent linearization iterative process used to determine the nonlinear frequency, the required modifications to subroutines DBAR and XMPLBD of the NASTRAN code, and the appropriate vibration capability, four example problems are presented. Comparisons with existing experimental and analytical results show that excellent accuracy is achieved with NASTRAN in all cases.

Experiments In Characterizing Vibrations Of A Structure

NASA Technical Reports Server (NTRS)

Yam, Yeung; Hadaegh, Fred Y.; Bayard, David S.

1993-01-01

Report discusses experiments conducted to test methods of identification of vibrational and coupled rotational/vibrational modes of flexible structure. Report one in series that chronicle development of integrated system of methods, sensors, actuators, analog and digital signal-processing equipment, and algorithms to suppress vibrations in large, flexible structure even when dynamics of structure partly unknown and/or changing. Two prior articles describing aspects of research, "Autonomous Frequency-Domain Indentification" (NPO-18099), and "Automated Characterization Of Vibrations Of A Structure" (NPO-18141).

Dynamics Control Approaches to Improve Vibratory Environment of the Helicopter Aircrew

NASA Astrophysics Data System (ADS)

Wickramasinghe, Viresh Kanchana

Although helicopter has become a versatile mode of aerial transportation, high vibration levels leads to poor ride quality for its passengers and aircrew. Undesired vibration transmitted through the helicopter seats have been known to cause fatigue and discomfort to the aircrew in the short-term as well as neck strain and back pain injuries due to long-term exposure. This research study investigated the use of novel active as well as passive methodologies integrated in helicopter seats to mitigate the aircrew exposure to high vibration levels. Due to significantly less certification effort required to modify the helicopter seat structure, application of novel technologies to the seat is more practical compared to flight critical components such as the main rotor to reduce aircrew vibration. In particular, this research effort developed a novel adaptive seat mount approach based on active vibration control technology. This novel design that incorporated two stacked piezoelectric actuators as active struts increases the bending stiffness to avoid the low frequency resonance while generating forces to counteract higher harmonic vibration peaks. A real-time controller implemented using a feed-forward algorithm based on adaptive notches counteracted the forced vibration peaks while a robust feedback control algorithm suppressed the resonance modes. The effectiveness of the adaptive seat mount system was demonstrated through extensive closed-loop control tests on a full-scale helicopter seat using representative helicopter floor vibration profiles. Test results concluded that the proposed adaptive seat mount approach based on active control technology is a viable solution for the helicopter seat vibration control application. In addition, a unique flight test using a Bell-412 helicopter demonstrated that the aircrew is exposed to high levels of vibration during flight and that the whole body vibration spectrum varied substantially depending on operating conditions as well as the aircrew configurations. This investigation also demonstrated the suitability of integrating novel energy absorbing cushion materials to the seat as a low cost solution to improve aircrew vibration suppression. Therefore, it was recommended to pursue certification of novel seat cushion materials as a near-term solution to mitigate undesirable occupational health hazards in helicopter aircrew due to vibration exposure.

[Carpal canal ultrasound examination in patients with mild hand-arm vibration disease].

PubMed

Liu, Y Z; Ye, Z H; Yang, W L; Zhu, J X; Lu, Q J; Su, W L

2016-08-20

Objective: To investigate the clinical value of ultrasound examination of carpal canal structure in patients with mild hand-arm vibration disease. Methods: A total of 29 patients (58 wrists) with mild hand-arm vibration disease who were treated in Shenzhen Prevention and Treatment Center for Occupational Diseases from May to December, 2015 were enrolled as observation group, and 20 healthy volunteers (40 wrists) were enrolled as the control group. Color Doppler ultrasound was used to observe the morphology and echo of the median nerve in the carpal canal and 9 muscle tendons and transverse carpal ligament. The thickness of transverse carpal ligament and diameter of the median nerve at the level of the hamulus of hamate bone were measured, as well as the cross-sectional area of the median nerve at the level of pisiform bone. Results: In the 29 patients with hand-arm vibration disease patients in the observation group, 8 experienced entrapment of the median nerve in the carpal canal, among whom 5 had entrapment in both wrists; there were 13 wrists (23%) with nerve entrapment and 45 wrists (77%) without nerve entrapment. Compared with the control group, the patients with hand-arm vibration disease and nerve entrapment in the observation group showed significant thickening of the transverse carpal ligament at the level of the hamulus of hamate bone and a significant increase in the cross-sectional area of the median nerve at the level of pisiform bone ( P <0.05) , while there were no significant differences in the thickness of transverse carpal ligament at the level of the hamulus of hamate bone and the cross-sectional area of the median nerve at the level of pisiform bone ( t=- 9.397 and -4.385, both P >0.05) . Conclusion: Ultrasound examination can clearly show the radiological changes of carpal canal contents in patients with mild hand-arm vibration disease and has a certain diagnostic value in nerve damage in patients with hand-arm vibration disease.

DFT and experimental studies of the structure and vibrational spectra of curcumin

NASA Astrophysics Data System (ADS)

Kolev, Tsonko M.; Velcheva, Evelina A.; Stamboliyska, Bistra A.; Spiteller, Michael

The potential energy surface of curcumin [1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione] was explored with the DFT correlation functional B3LYP method using 6-311G* basis. The single-point calculations were performed at levels up to B3LYP/6-311++G**//B3LYP/6-311G*. All isomers were located and relative energies determined. According to the calculation the planar enol form is more stable than the nonplanar diketo form. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. In addition, harmonic vibrational frequencies of the molecule were evaluated theoretically using B3LYP density functional methods. The computed vibrational frequencies were used to determine the types of molecular motions associated with each of the experimental bands observed. Our vibrational data show that in both the solid state and in all studied solutions curcumin exists in the enol form.

Evaluation of passive and active vibration control mechanisms in a microgravity environment

NASA Technical Reports Server (NTRS)

Ellison, J.; Ahmadi, G.; Grodsinsky, C.

1993-01-01

The behavior of equipment and their light secondary attachments in large space structures under orbital excitation is studied. The equipment is modeled as a shear beam and its secondary attachment is treated as a single-degree-of-freedom lumped mass system. Peak responses of the equipment and its secondary system for a variety of vibration control mechanisms are evaluated. A novel active friction control mechanism, by varying the normal force, is suggested. The device uses a magnetic field control to minimize the stick condition, thereby reducing the overall structural response. The results show that the use of the passive vibration control devices could reduce the peak equipment responses to a certain extent. However, major reduction of vibration levels could be achieved only by the use of active devices. Using active control of the interface normal force, the peak responses of the equipment and its attachment are reduced by a factor of 10 over the fixed-base equipment response.

DFT calculation and vibrational spectroscopic studies of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine.

PubMed

Premkumar, S; Jawahar, A; Mathavan, T; Kumara Dhas, M; Sathe, V G; Milton Franklin Benial, A

2014-08-14

The molecular structure of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine (BABP) was optimized by the DFT/B3LYP method with 6-311G (d,p), 6-311++G (d,p) and cc-pVTZ basis sets using the Gaussian 09 program. The most stable optimized structure of the molecule was predicted by the DFT/B3LYP method with cc-pVTZ basis set. The vibrational frequencies, Mulliken atomic charge distribution, frontier molecular orbitals and thermodynamical parameters were calculated. These calculations were done at the ground state energy level of BABP without applying any constraint on the potential energy surface. The vibrational spectra were experimentally recorded using Fourier Transform-Infrared (FT-IR) and micro-Raman spectrometer. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies. The complete theoretically calculated and experimentally observed vibrational frequencies were assigned on the basis of Potential Energy Distribution (PED) calculation using the VEDA 4.0 program. The vibrational modes assignments were performed by using the animation option of GaussView 05 graphical interface for Gaussian program. The Mulliken atomic charge distribution was calculated for BABP molecule. The molecular reactivity and stability of BABP were also studied by frontier molecular orbitals (FMOs) analysis. Copyright © 2014 Elsevier B.V. All rights reserved.

Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods

NASA Astrophysics Data System (ADS)

Kumar, Amarendra; Narayan, Vijay; Prasad, Onkar; Sinha, Leena

2012-08-01

Quantum chemical calculations of energies, dipole moment, polarizability, hyperpolarizability and vibrational wavenumbers of Azelaic acid (AZA) were carried out by using ab initio HF and B3LYP methods with 6-311++G(d,p) basis set. Hydrogen-bonded dimer of AZA, optimized by counterpoise correction, has also been studied by HF and B3LYP at the 6-311++G(d,p) level and the effects of molecular association through Osbnd H⋯O hydrogen bonding have been discussed. A complete vibrational analysis of AZA has been performed and assignments are made on the basis of potential energy distribution. The comparisons and assignments of the vibrational frequencies indicate that the experimental spectra also correspond acceptably with those of theoretically simulated spectra except the hydrogen-bonded coupled infrared vibrations.

Vibration and acoustic testing of TOPEX/Poseidon satellite

NASA Technical Reports Server (NTRS)

Boatman, Dave; Scharton, Terry; Hershfeld, Donald; Larkin, Paul

1992-01-01

The satellite was subjected to a 1.5G swept sine vibration test and a 146 dB overall level acoustic test, in accordance with Ariane launch vehicle requirements, at the NASA Goddard Space Flight Center. Extensive pretest analysis of the sine test was conducted to plan the input notching and to justify vibration testing the satellite only in the longitudinal axis. A unique measurement system was utilized to determine the six components of interface force between the shaker and the satellite in the sine vibration test. The satellite was heavily instrumented in both the sine vibration and acoustic test in order to insure that the launch loads were enveloped with appropriate margin and that satellite responses did not exceed the compatibilities of the structure and equipment. The test specification, objectives, instrumentation, and test results are described herein.

Prediction of the interior noise levels of high-speed propeller-driven aircraft

NASA Technical Reports Server (NTRS)

Rennison, D. C.; Wilby, J. F.; Wilby, E. G.

1980-01-01

The theoretical basis for an analytical model developed to predict the interior noise levels of high-speed propeller-driven airplanes is presented. Particular emphasis is given to modeling the transmission of discrete tones through a fuselage element into a cavity, estimates for the mean and standard deviation of the acoustic power flow, the coupling between a non-homogeneous excitation and the fuselage vibration response, and the prediction of maximum interior noise levels. The model allows for convenient examination of the various roles of the excitation and fuselage structural characteristics on the fuselage vibration response and the interior noise levels, as is required for the design of model or prototype noise control validation tests.

Identification of Rotorcraft Structural Dynamics from Flight and Wind Tunnel Data

NASA Technical Reports Server (NTRS)

McKillip, Robert M., Jr.

1997-01-01

Excessive vibration remains one one of the most difficult problems that faces the helicopter industry today, affecting all production helicopters at some phase of their development. Vibrations in rotating structures may arise from external periodic dynamic airloads whose frequencies are are close to the natural frequencies of the rotating system itself. The goal for the structures engineer would thus be to design a structure as free from resonance effects as possible. In the case of a helicopter rotor blade these dynamic loads are a consequence of asymmetric airload distribution on the rotor blade in forward flight, leading to a rich collection of higher harmonic airloads that force rotor and airframe response. Accurate prediction of the dynamic characteristics of a helicopter rotor blade will provide the opportunity to affect in a positive manner noise intensity, vibration level, durability, reliability and operating costs by reducing objectionable frequencies or moving them to a different frequency range and thus providing us with a lower vibration rotor. In fact, the dynamic characteristics tend to define the operating limits of a rotorcraft. As computing power has increased greatly over the last decade, researchers and engineers have turned to analyzing the vibrational characteristics of aerospace structures at the design and development stage of the production of an aircraft. Modern rotor blade construction methods lead to products with low mass and low inherent damping so careful design and analysis is required to avoid resonance and an undesirable dynamic performance. In addition, accurate modal analysis is necessary for several current approaches in elastic system identification and active control.

The Shock and Vibration Bulletin. Part 3. Vehicle Dynamics and Vibration: Test and Criteria.

DTIC Science & Technology

1983-05-01

transformation. As stability is assumed in forward motion. used here it invariably means the Hydraulic suspension is formed for each group static...are used to calcu- late the random rms stress according to the type Tolerable sound pressure levels were of structure. Appropriate random S-N curves...DC AIRCRAFT SURVIVABILITY Dale B. Atkinson, Chairman, Joint Technical Coordinating Group on Aircraft Survivability, Naval Air Systems Command

Comparative studies on molecular structure, vibrational spectra and hyperpolarizabilies of NLO chromophore Ethyl 4-Dimethylaminobenzoate

NASA Astrophysics Data System (ADS)

Amalanathan, M.; Jasmine, G. Femina; Roy, S. Dawn Dharma

2017-08-01

The molecular structure, vibrational spectra and polarizabilities of Ethyl 4-Dimethylaminobenzoate (EDAB) was investigated by density functional theory employing Becke's three parameter hybrid exchange functional with Lee-Yang-Parr (B3LYP) co-relational functional involving 6-311++G(d,p) basis set and compared with some other levels. A detailed interpretation of the IR and Raman spectra of EDBA have been reported and analyzed. Complete vibrational assignments of the vibrational modes have been done on the basis of the potential energy distribution (TED) using VEDA software. The molecular electrostatic potential mapped onto total density surface has been obtained. A study on the electronic properties, such as absorption wavelength, and frontier molecular orbitals energy, was performed using DFT approach. The stability of the molecule arising from hyper conjugative interactions and accompanying charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The natural and Mulliken charge also calculated and compared with different level of calculation. The dipole moment, polarizability and first, second order hyperpolarizabilities of the title molecule were calculated and compared with the experimental values. The energy gap between frontier orbitals has been used along with electric moments and first order hyperpolarizability, to understand the non linear optical (NLO) activity of the molecule. The NLO activity of molecule was confirmed by SHG analysis.

Structure and vibrational analysis of methyl 3-amino-2-butenoate.

PubMed

Berenji, Ali Reza; Tayyari, Sayyed Faramarz; Rahimizadeh, Mohammad; Eshghi, Hossein; Vakili, Mohammad; Shiri, Ali

2013-02-01

The molecular structure and vibrational spectra of methyl 3-(amino)-2-butenoate (MAB) and its deuterated analogous, D(3)MAB, were investigated using density functional theory (DFT) calculations. The geometrical parameters and harmonic vibrational wavenumbers of MAB and D(3)MAB were obtained at the B3LYP/6-311++G(d,p) level. The calculated vibrational wavenumbers were compared with the corresponding experimental results. The assignment of the IR and Raman spectra of MAB and D(3)MAB was facilitated by calculating the anharmonic wavenumbers at the B3LYP/6-311G(d,p) level as well as recording and calculating the MAB spectra in CCl(4) solution. The assigned normal modes were compared with a similar molecule, 4-amino-3-penten-2-one (APO). The theoretical results were in good agreement with the experimental data. All theoretical and experimental results indicate that substitution of a methyl group with a methoxy group considerably weakens the intramolecular hydrogen bond and reduces the π-electron delocalization in the chelated ring system. The IR spectra also indicate that in the solid state, MAB is not only engaged in an intramolecular hydrogen bond, but also forms an intermolecular hydrogen bond. However, the intermolecular hydrogen bond will be removed in dilute CCl(4) solution. Copyright © 2012 Elsevier B.V. All rights reserved.

Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde.

PubMed

Morgan, W James; Matthews, Devin A; Ringholm, Magnus; Agarwal, Jay; Gong, Justin Z; Ruud, Kenneth; Allen, Wesley D; Stanton, John F; Schaefer, Henry F

2018-03-13

Geometric energy derivatives which rely on core-corrected focal-point energies extrapolated to the complete basis set (CBS) limit of coupled cluster theory with iterative and noniterative quadruple excitations, CCSDTQ and CCSDT(Q), are used as elements of molecular gradients and, in the case of CCSDT(Q), expansion coefficients of an anharmonic force field. These gradients are used to determine the CCSDTQ/CBS and CCSDT(Q)/CBS equilibrium structure of the S 0 ground state of H 2 CO where excellent agreement is observed with previous work and experimentally derived results. A fourth-order expansion about this CCSDT(Q)/CBS reference geometry using the same level of theory produces an exceptional level of agreement to spectroscopically observed vibrational band origins with a MAE of 0.57 cm -1 . Second-order vibrational perturbation theory (VPT2) and variational discrete variable representation (DVR) results are contrasted and discussed. Vibration-rotation, anharmonicity, and centrifugal distortion constants from the VPT2 analysis are reported and compared to previous work. Additionally, an initial application of a sum-over-states fourth-order vibrational perturbation theory (VPT4) formalism is employed herein, utilizing quintic and sextic derivatives obtained with a recursive algorithmic approach for response theory.

Structure-borne noise at hotels

NASA Astrophysics Data System (ADS)

Wilson, George Paul; Jue, Deborah A.

2002-11-01

Hotels present a challenging environment for building designers to provide suitable noise and vibration isolation between very incompatible uses. While many are familiar with ways to reduce traditional sources of airborne noise and vibration, structure-borne noise and vibration are often overlooked, often with costly repercussions. Structure-borne noise can be very difficult to pinpoint, and troubleshooting the sources of the vibration can be a tedious process. Therefore, the best approach is to avoid the problem altogether during design, with attention to the building construction, potential vibration sources, building uses and equipment locations. In this paper, the relationship between structure-borne vibration and noise are reviewed, typical vibration sources discussed (e.g., aerobic rooms, laundry rooms, mechanical equipment/building services, and subway rail transit), and key details and design guidance to minimize structure-borne noise provided.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mackeprang, Kasper; Kjaergaard, Henrik G., E-mail: hgk@chem.ku.dk; Salmi, Teemu

We describe the vibrational transitions of the donor unit in water dimer with an approach that is based on a three-dimensional local mode model. We perform a perturbative treatment of the intermolecular vibrational modes to improve the transition wavenumber of the hydrogen bonded OH-stretching transition. The model accurately predicts the transition wavenumbers of the vibrations in water dimer compared to experimental values and provides a physical picture that explains the redshift of the hydrogen bonded OH-oscillator. We find that it is unnecessary to include all six intermolecular modes in the vibrational model and that their effect can, to a goodmore » approximation, be computed using a potential energy surface calculated at a lower level electronic structure method than that used for the unperturbed model.« less

Vibrational spectroscopic and quantum chemical calculations of (E)-N-Carbamimidoyl-4-((naphthalen-1-yl-methylene)amino)benzene sulfonamide.

PubMed

Chandran, Asha; Varghese, Hema Tresa; Mary, Y Sheena; Panicker, C Yohannan; Manojkumar, T K; Van Alsenoy, Christian; Rajendran, G

2012-02-15

FT-IR and FT-Raman spectra of (E)-N-Carbamimidoyl-4-((naphthalen-1-yl-methylene)amino)benzene sulfonamide were recorded and analyzed. The vibrational wavenumbers were computing at various levels of theory. The data obtained from theoretical calculations are used to assign vibrational bands obtained experimentally. The results indicate that B3LYP method is able to provide satisfactory results for predicting vibrational frequencies and structural parameters. The calculated first hyperpolarizability is comparable with reported values of similar derivatives and is an attractive object for future studies of non-linear optics. The geometrical parameters of the title compound are in agreement with that of similar derivatives. Copyright © 2011 Elsevier B.V. All rights reserved.

Chemical and biological sensing using tuning forks

DOEpatents

Tao, Nongjian; Boussaad, Salah

2012-07-10

A device for sensing a chemical analyte is disclosed. The device is comprised of a vibrating structure having first and second surfaces and having an associated resonant frequency and a wire coupled between the first and second surfaces of the vibrating structure, wherein the analyte interacts with the wire and causes a change in the resonant frequency of the vibrating structure. The vibrating structure can include a tuning fork. The vibrating structure can be comprised of quartz. The wire can be comprised of polymer. A plurality of vibrating structures are arranged in an array to increase confidence by promoting a redundancy of measurement or to detect a plurality of chemical analytes. A method of making a device for sensing a chemical analyte is also disclosed.

Integrated passive/active vibration absorber for multi-story buildings

NASA Technical Reports Server (NTRS)

Lee-Glauser, Gina J.; Ahmadi, Goodarz; Horta, Lucas G.

1995-01-01

Passive isolator, active vibration absorber, and an integrated passive/active (hybrid) control are studied for their effectiveness in reducing structural vibration under seismic excitations. For the passive isolator, a laminated rubber bearing base isolator which has been studied and used extensively by researchers and seismic designers is considered. An active vibration absorber concept, which can provide guaranteed closed-loop stability with minimum knowledge of the controlled system, is used to reduce the passive isolator displacement and to suppress the top floor vibration. A three-story building model is used for the numerical simulation. The performance of an active vibration absorber and a hybrid vibration controller in reducing peak structural responses is compared with the passively isolated structural response and with absence of vibration control systems under the N00W component of El Centro 1940 and N90W component of the Mexico City earthquake excitation records. The results show that the integrated passive/active vibration control system is most effective in suppressing the peak structural acceleration for the El Centro 1940 earthquake when compared with the passive or active vibration absorber alone. The active vibration absorber, however, is the only system that suppresses the peak acceleration of the structure for the Mexico City 1985 earthquake.

Investigation of solvent polarity effect on molecular structure and vibrational spectrum of xanthine with the aid of quantum chemical computations.

PubMed

Polat, Turgay; Yıldırım, Gurcan

2014-04-05

The main scope of this study is to determine the effects of 8 solvents on the geometric structure and vibrational spectra of the title compound, xanthine, by means of the DFT/B3LYP level of theory in the combination with the polarizable conductor continuum model (CPCM) for the first time. After determination of the most-steady state (favored structure) of the xanthine molecule, the role of the solvent polarity on the SCF energy (for the molecule stability), atomic charges (for charge distribution) and dipole moments (for molecular charge transfer) belonging to tautomer is discussed in detail. The results obtained indicate not only the presence of the hydrogen bonding and strong intra-molecular charge transfer (ICT) in the compound but the increment of the molecule stability with the solvent polarity, as well. Moreover, it is noted that the optimized geometric parameters and the theoretical vibrational frequencies are in good agreement with the available experimental results found in the literature. In fact, the correlations between the experimental and theoretical findings for the molecular structures improve with the enhancement of the solvent polarity. At the same time, the dimer forms of the xanthine compound are simulated to describe the effect of intermolecular hydrogen bonding on the molecular geometry and vibrational frequencies. It is found that the CO and NH stretching vibrations shift regularly to lower frequency value with higher IR intensity as the dielectric medium enhances systematically due to the intermolecular NH⋯O hydrogen bonds. Theoretical vibrational spectra are also assigned based on the potential energy distribution (PED) using the VEDA 4 program. Copyright © 2013 Elsevier B.V. All rights reserved.

Evidence for Breakdown of Vibrational Motion in ^110Cd

NASA Astrophysics Data System (ADS)

Bangay, Jack; Garrett, Paul; Bianco, Laura; Leach, Kyle; Finlay, Paul; Green, Katie; Phillips, Andrew; Rand, Evan; Svensson, Carl; Sumithrarachchi, Chandana; Wong, James

2009-10-01

^110Cd has long been considered an excellent example of a vibrational nucleus. However, recent work with other even-even Cadmium isotopes show a breakdown of vibrational motion at the 2 and 3-phonon level, suggesting the need for more precise measurements on ^110Cd. The structure of ^110Cd is studied with the (n,n^'γ) reaction performed at the University of Kentucky, as well as with the high statistics β-decay of ^110In performed at the TRIUMF-ISAC facility using the 8π spectrometer. Excitation funcions and angular distributions from the (n,n^'γ) reaction provide us with spectroscopic information on the level scheme, including level lifetimes and spins. This data is complemented by the γγ coincidences measured in the ^110In β-decay that allows the observation of, or stringent limit on, weak, low-energy branches between levels at high excitation energy. Details of the analysis to date, including candidates for the full octupole-quadrupole coupled quintuplet, will be presented.

A High-Speed Vision-Based Sensor for Dynamic Vibration Analysis Using Fast Motion Extraction Algorithms.

PubMed

Zhang, Dashan; Guo, Jie; Lei, Xiujun; Zhu, Changan

2016-04-22

The development of image sensor and optics enables the application of vision-based techniques to the non-contact dynamic vibration analysis of large-scale structures. As an emerging technology, a vision-based approach allows for remote measuring and does not bring any additional mass to the measuring object compared with traditional contact measurements. In this study, a high-speed vision-based sensor system is developed to extract structure vibration signals in real time. A fast motion extraction algorithm is required for this system because the maximum sampling frequency of the charge-coupled device (CCD) sensor can reach up to 1000 Hz. Two efficient subpixel level motion extraction algorithms, namely the modified Taylor approximation refinement algorithm and the localization refinement algorithm, are integrated into the proposed vision sensor. Quantitative analysis shows that both of the two modified algorithms are at least five times faster than conventional upsampled cross-correlation approaches and achieve satisfactory error performance. The practicability of the developed sensor is evaluated by an experiment in a laboratory environment and a field test. Experimental results indicate that the developed high-speed vision-based sensor system can extract accurate dynamic structure vibration signals by tracking either artificial targets or natural features.

Ab Initio Calculations of Anharmonic Vibrational Spectroscopy for Hydrogen Fluoride (HF)n (n=3,4) and Mixed Hydrogen Fluoride/Water (HF)n(H20)n (n=1,2,4) Clusters

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Gerber, R. Benny; Kwak, Dochan (Technical Monitor)

2001-01-01

Anharmonic vibrational frequencies and intensities are computed for hydrogen fluoride clusters (HF)n with n=3,4 and mixed clusters of hydrogen fluoride with water (HF)n(H2O)n where n=1,2. For the (HF)4(H2O)4 complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Potential energy surfaces for these systems are obtained at the MP2/TZP level of electronic structure theory. Vibrational states are calculated from the potential surface points using the correlation-corrected vibrational self-consistent field (CC-VSCF) method. The method accounts for the anharmonicities and couplings between all vibrational modes and provides fairly accurate anharmonic vibrational spectra that can be directly compared with experimental results without a need for empirical scaling. For (HF)n, good agreement is found with experimental data. This agreement shows that the MP2 potential surfaces for these systems are reasonably reliable. The accuracy is best for the stiff intramolecular modes, which indicates the validity of MP2 in describing coupling between intramolecular and intermolecular degrees of freedom. For (HF)n(H2O)n experimental results are unavailable. The computed intramolecular frequencies show a strong dependence on cluster size. Intensity features are predicted for future experiments.

Ab initio calculations of anharmonic vibrational spectroscopy for hydrogen fluoride (HF)n (n = 3, 4) and mixed hydrogen fluoride/water (HF)n(H2O)n (n = 1, 2, 4) clusters

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Gerber, R. Benny

2002-01-01

Anharmonic vibrational frequencies and intensities are computed for hydrogen fluoride clusters (HF)n, with n = 3, 4 and mixed clusters of hydrogen fluoride with water (HF)n(H2O)n where n = 1, 2. For the (HF)4(H2O)4 complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Potential energy surfaces for these systems are obtained at the MP2/TZP level of electronic structure theory. Vibrational states are calculated from the potential surface points using the correlation-corrected vibrational self-consistent field method. The method accounts for the anharmonicities and couplings between all vibrational modes and provides fairly accurate anharmonic vibrational spectra that can be directly compared with experimental results without a need for empirical scaling. For (HF)n, good agreement is found with experimental data. This agreement shows that the Moller-Plesset (MP2) potential surfaces for these systems are reasonably reliable. The accuracy is best for the stiff intramolecular modes, which indicates the validity of MP2 in describing coupling between intramolecular and intermolecular degrees of freedom. For (HF)n(H2O)n experimental results are unavailable. The computed intramolecular frequencies show a strong dependence on cluster size. Intensity features are predicted for future experiments.

Impact of structural optimization with aeroelastic/multidisciplinary constraints on helicopter rotor design

NASA Technical Reports Server (NTRS)

Friedmann, Peretz P.

1992-01-01

This paper presents a review of the state-of-the-art in the field of structural optimization when applied to vibration reduction of helicopters in forward flight with aeroelastic and multidisciplinary constraints. It emphasizes the application of the modern approach where the optimization is formulated as a mathematical programming problem and the objective function consists of the vibration levels at the hub and behavior constraints are imposed on the blade frequencies, aeroelastic stability margins as well as on a number of additional ingredients which can have a significant effect on the overall performance and flight mechanics of the helicopter. It is shown that the integrated multidisciplinary optimization of rotorcraft offers the potential for substantial improvements which can be achieved by careful preliminary design and analysis without requiring additional hardware such as rotor vibration absorbers or isolation systems.

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

NASA Astrophysics Data System (ADS)

Wang, Yuxi; Niu, Shengkai; Hu, Yuantai

2017-06-01

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

Vibration mitigation for in-wheel switched reluctance motor driven electric vehicle with dynamic vibration absorbing structures

NASA Astrophysics Data System (ADS)

Qin, Yechen; He, Chenchen; Shao, Xinxin; Du, Haiping; Xiang, Changle; Dong, Mingming

2018-04-01

This paper presents a new approach for vibration mitigation based on a dynamic vibration absorbing structure (DVAS) for electric vehicles (EVs) that use in-wheel switched reluctance motors (SRMs). The proposed approach aims to alleviate the negative effects of vibration caused by the unbalanced electromagnetic force (UMEF) that arises from road excitations. The analytical model of SRMs is first formulated using Fourier series, and then a model of the coupled longitudinal-vertical dynamics is developed taking into consideration the external excitations consisting of the aerodynamic drag force and road unevenness. In addition, numerical simulations for a conventional SRM-suspension system and two novel DVASs are carried out for varying road levels specified by ISO standards and vehicle velocities. The results of the comparison reveal that a 35% improvement in ride comfort, 30% improvement of road handling, and 68% improvement in air gap between rotor and stator can be achieved by adopting the novel DVAS compared to the conventional SRM-suspension system. Finally, multi-body simulation (MBS) is performed using LMS Motion to validate the feasibility of the proposed DVAS. Analysis of the results shows that the proposed method can augment the effective application of SRMs in EVs.

Impact of low-frequency sound on historic structures

NASA Astrophysics Data System (ADS)

Sutherland, Louis C.; Horonjeff, Richard D.

2005-09-01

In common usage, the term soundscape usually refers to portions of the sound spectrum audible to human observers, and perhaps more broadly other members of the animal kingdom. There is, however, a soundscape regime at the low end of the frequency spectrum (e.g., 10-25 Hz), which is inaudible to humans, where nonindigenous sound energy may cause noise-induced vibrations in structures. Such low frequency components may be of sufficient magnitude to pose damage risk potential to historic structures and cultural resources. Examples include Anasazi cliff and cave dwellings, and pueblo structures of vega type roof construction. Both are susceptible to noise induced vibration from low-frequency sound pressures that excite resonant frequencies in these structures. The initial damage mechanism is usually fatigue cracking. Many mechanisms are subtle, temporally multiphased, and not initially evident to the naked eye. This paper reviews the types of sources posing the greatest potential threat, their low-frequency spectral characteristics, typical structural responses, and the damage risk mechanisms involved. Measured sound and vibration levels, case history studies, and conditions favorable to damage risk are presented. The paper concludes with recommendations for increasing the damage risk knowledge base to better protect these resources.

Refined energetic ordering for sulphate-water (n = 3-6) clusters using high-level electronic structure calculations

NASA Astrophysics Data System (ADS)

Lambrecht, Daniel S.; McCaslin, Laura; Xantheas, Sotiris S.; Epifanovsky, Evgeny; Head-Gordon, Martin

2012-10-01

This work reports refinements of the energetic ordering of the known low-energy structures of sulphate-water clusters ? (n = 3-6) using high-level electronic structure methods. Coupled cluster singles and doubles with perturbative triples (CCSD(T)) is used in combination with an estimate of basis set effects up to the complete basis set limit using second-order Møller-Plesset theory. Harmonic zero-point energy (ZPE), included at the B3LYP/6-311 + + G(3df,3pd) level, was found to have a significant effect on the energetic ordering. In fact, we show that the energetic ordering is a result of a delicate balance between the electronic and vibrational energies. Limitations of the ZPE calculations, both due to electronic structure errors, and use of the harmonic approximation, probably constitute the largest remaining errors. Due to the often small energy differences between cluster isomers, and the significant role of ZPE, deuteration can alter the relative energies of low-lying structures, and, when it is applied in conjunction with calculated harmonic ZPEs, even alters the global minimum for n = 5. Experiments on deuterated clusters, as well as more sophisticated vibrational calculations, may therefore be quite interesting.

Structural damping results from vibration tests of straight piping sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ware, A.G.; Thinnes, G.L.

EG and G Idaho is assisting the USNRC and the Pressure Vessel Research Committee in supporting a final position on revised damping values for structural analyses of nuclear piping systems. As part of this program, a series of vibrational tests on 76-mm and 203-mm (3-in. amd 8-in.) Schedule 40 carbon steel piping was conducted to determine the changes in structural damping due to various parametric effects. The 10-m (33-ft) straight sections of piping were rigidly supported at the ends. Spring, rod, and constant force hangers, as well as a sway brace and snubbers were included as intermediate supports. Excitation wasmore » provided by low-force level hammer inpacts, a hydraulic shaker, and a 445-kN (50-ton) overhead crane. Data was recorded using acceleration, strain, and displacement time histories. This paper presents results from the testing showing the effect of stress level and type of supports on structural damping in piping.« less

Development of a long-gauge vibration sensor

NASA Astrophysics Data System (ADS)

Kung, Peter; Comanici, Maria I.; Li, Qian; Zhang, Yiwei

2014-11-01

Recently, we found that by terminating a long length of fiber of up to 1 km with an in-fiber cavity structure, the entire structure can detect vibrations over a frequency range from 5 Hz to 100 Hz. We want to determine whether the structure (including packaging) can be optimized to detect vibrations at even higher frequencies. The structure can be used as a distributed vibration sensor mounted on large motors and other rotating machines to capture the entire frequency spectrum of the associated vibration signals, and therefore, replace the many accelerometers, which add to the maintenance cost. Similarly, it will help detect in-slot vibrations which cause intermittent contact leading to sparking under high voltages inside air-cooled generators. However, that will require the sensor to detect frequencies associated with vibration sparking, ranging from 6 kHz to 15 kHz. Then, at even higher frequencies, the structure can be useful to detect acoustic vibrations (30 kHz to 150 kHz) associated with partial discharge (PD) in generators and transformers. Detecting lower frequencies in the range 2 Hz to 200 Hz makes the sensor suitable for seismic studies and falls well into the vibrations associated with rotating machines. Another application of interest is corrosion detection in large reenforced concrete structures by inserting the sensor along a long hole drilled around structures showing signs of corrosion. The frequency response for the proposed long-gauge vibration sensor depends on packaging.

Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations.

PubMed

Tasinato, Nicola; Regini, Giorgia; Stoppa, Paolo; Pietropolli Charmet, Andrea; Gambi, Alberto

2012-06-07

Difluoromethane (CH(2)F(2), HFC-32) is a molecule used in refrigerant mixtures as a replacement of the more environmentally hazardous, ozone depleting, chlorofluorocarbons. On the other hand, presenting strong vibration-rotation bands in the 9 μm atmospheric window, it is a greenhouse gas which contributes to global warming. In the present work, the vibrational and ro-vibrational properties of CH(2)F(2), providing basic data for its atmospheric modeling, are studied in detail by coupling medium resolution Fourier transform infrared spectroscopy to high-level electronic structure ab initio calculations. Experimentally a full quantum assignment and accurate integrated absorption cross sections are obtained up to 5000 cm(-1). Ab initio calculations are carried out by using CCSD(T) theory and large basis sets of either the correlation consistent or atomic natural orbital hierarchies. By using vibrational perturbation theory to second order a complete set of vibrational and ro-vibrational parameters is derived from the ab initio quartic anharmonic force fields, which well compares with the spectroscopic constants retrieved experimentally. An excellent agreement between theory and experiment is achieved for vibrational energy levels and integrated absorption cross sections: transition frequencies up to four quanta of vibrational excitation are reproduced with a root mean square deviation (RMSD) of 7 cm(-1) while intensities are predicted within few km mol(-1) from the experiment. Basis set performances and core correlation effects are discussed throughout the paper. Particular attention is focused in the understanding of the anharmonic couplings which rule the vibrational dynamics of the |ν(1)>, |2ν(8)>, |2ν(2)> three levels interacting system. The reliability of the potential energy and dipole moment surfaces in reproducing the vibrational eigenvalues and intensities as well as in modeling the vibrational and ro-vibrational mixings over the whole 400-5000 cm(-1) region is also demonstrated by spectacular spectral simulations carried out by using the ro-vibrational Hamiltonian constants, and the relevant coupling terms, obtained from the perturbation treatment of the ab initio anharmonic force field. The present results suggest CH(2)F(2) as a prototype molecule to test ab initio calculations and theoretical models.

Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm-1 studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations

NASA Astrophysics Data System (ADS)

Tasinato, Nicola; Regini, Giorgia; Stoppa, Paolo; Charmet, Andrea Pietropolli; Gambi, Alberto

2012-06-01

Difluoromethane (CH2F2, HFC-32) is a molecule used in refrigerant mixtures as a replacement of the more environmentally hazardous, ozone depleting, chlorofluorocarbons. On the other hand, presenting strong vibration-rotation bands in the 9 μm atmospheric window, it is a greenhouse gas which contributes to global warming. In the present work, the vibrational and ro-vibrational properties of CH2F2, providing basic data for its atmospheric modeling, are studied in detail by coupling medium resolution Fourier transform infrared spectroscopy to high-level electronic structure ab initio calculations. Experimentally a full quantum assignment and accurate integrated absorption cross sections are obtained up to 5000 cm-1. Ab initio calculations are carried out by using CCSD(T) theory and large basis sets of either the correlation consistent or atomic natural orbital hierarchies. By using vibrational perturbation theory to second order a complete set of vibrational and ro-vibrational parameters is derived from the ab initio quartic anharmonic force fields, which well compares with the spectroscopic constants retrieved experimentally. An excellent agreement between theory and experiment is achieved for vibrational energy levels and integrated absorption cross sections: transition frequencies up to four quanta of vibrational excitation are reproduced with a root mean square deviation (RMSD) of 7 cm-1 while intensities are predicted within few km mol-1 from the experiment. Basis set performances and core correlation effects are discussed throughout the paper. Particular attention is focused in the understanding of the anharmonic couplings which rule the vibrational dynamics of the |ν1⟩, |2ν8⟩, |2ν2⟩ three levels interacting system. The reliability of the potential energy and dipole moment surfaces in reproducing the vibrational eigenvalues and intensities as well as in modeling the vibrational and ro-vibrational mixings over the whole 400-5000 cm-1 region is also demonstrated by spectacular spectral simulations carried out by using the ro-vibrational Hamiltonian constants, and the relevant coupling terms, obtained from the perturbation treatment of the ab initio anharmonic force field. The present results suggest CH2F2 as a prototype molecule to test ab initio calculations and theoretical models.

The performance of a piezoelectric-sensor-based SHM system under a combined cryogenic temperature and vibration environment

NASA Astrophysics Data System (ADS)

Qing, Xinlin P.; Beard, Shawn J.; Kumar, Amrita; Sullivan, Kevin; Aguilar, Robert; Merchant, Munir; Taniguchi, Mike

2008-10-01

A series of tests have been conducted to determine the survivability and functionality of a piezoelectric-sensor-based active structural health monitoring (SHM) SMART Tape system under the operating conditions of typical liquid rocket engines such as cryogenic temperature and vibration loads. The performance of different piezoelectric sensors and a low temperature adhesive under cryogenic temperature was first investigated. The active SHM system for liquid rocket engines was exposed to flight vibration and shock environments on a simulated large booster LOX-H2 engine propellant duct conditioned to cryogenic temperatures to evaluate the physical robustness of the built-in sensor network as well as operational survivability and functionality. Test results demonstrated that the developed SMART Tape system can withstand operational levels of vibration and shock energy on a representative rocket engine duct assembly, and is functional under the combined cryogenic temperature and vibration environment.

Numerical Simulation of Flow Features and Energy Exchange Physics in Near-Wall Region with Fluid-Structure Interaction

NASA Astrophysics Data System (ADS)

Zhang, Lixiang; Wang, Wenquan; Guo, Yakun

Large eddy simulation is used to explore flow features and energy exchange physics between turbulent flow and structure vibration in the near-wall region with fluid-structure interaction (FSI). The statistical turbulence characteristics in the near-wall region of a vibrating wall, such as the skin frictional coefficient, velocity, pressure, vortices, and the coherent structures have been studied for an aerofoil blade passage of a true three-dimensional hydroturbine. The results show that (i) FSI greatly strengthens the turbulence in the inner region of y+ < 25; and (ii) the energy exchange mechanism between the flow and the vibration depends strongly on the vibration-induced vorticity in the inner region. The structural vibration provokes a frequent action between the low- and high-speed streaks to balance the energy deficit caused by the vibration. The velocity profile in the inner layer near the vibrating wall has a significant distinctness, and the viscosity effect of the fluid in the inner region decreases due to the vibration. The flow features in the inner layer are altered by a suitable wall vibration.

Photoionization dynamics of ammonia (B(1)E''): dependence on ionizing photon energy and initial vibrational level.

PubMed

Hockett, Paul; Staniforth, Michael; Reid, Katharine L

2010-10-28

In this article we present photoelectron spectra and angular distributions in which ion rotational states are resolved. This data enables the comparison of direct and threshold photoionization techniques. We also present angle-resolved photoelectron signals at different total energies, providing a method to scan the structure of the continuum in the near-threshold region. Finally, we have studied the influence of vibrational excitation on the photoionization dynamics.

Operation Manual for the Intensity Based Interrogation of Fibre Bragg Grating Arrays on Vibrating Structures

DTIC Science & Technology

2011-01-01

based demodulation approach for the measurement of strains, induced by structural vibrations, using Fiber Bragg Gratings ( FBG ). This companion...provide the Frequency Response Functions from a series of FBG arrays attached to a vibrating structure. RELEASE LIMITATION Approved for... FBG arrays attached to a vibrating structure. Both this technical note and its companion technical report are formal contributions to an

Microgravity Disturbance Predictions in the Combustion Integrated Rack

NASA Astrophysics Data System (ADS)

Just, M.; Grodsinsky, Carlos M.

2002-01-01

This paper will focus on the approach used to characterize microgravity disturbances in the Combustion Integrated Rack (CIR), currently scheduled for launch to the International Space Station (ISS) in 2005. Microgravity experiments contained within the CIR are extremely sensitive to vibratory and transient disturbances originating on-board and off-board the rack. Therefore, several techniques are implemented to isolate the critical science locations from external vibration. A combined testing and analysis approach is utilized to predict the resulting microgravity levels at the critical science location. The major topics to be addressed are: 1) CIR Vibration Isolation Approaches, 2) Disturbance Sources and Characterization, 3) Microgravity Predictive Modeling, 4) Science Microgravity Requirements, 6) Microgravity Control, and 7) On-Orbit Disturbance Measurement. The CIR is using the Passive Rack Isolation System (PaRIS) to isolate the rack from offboard rack disturbances. By utilizing this system, CIR is connected to the U.S. Lab module structure by either 13 or 14 umbilical lines and 8 spring / damper isolators. Some on-board CIR disturbers are locally isolated by grommets or wire ropes. CIR's environmental and science on board support equipment such as air circulation fans, pumps, water flow, air flow, solenoid valves, and computer hard drives cause disturbances within the rack. These disturbers along with the rack structure must be characterized to predict whether the on-orbit vibration levels during experimentation exceed the specified science microgravity vibration level requirements. Both vibratory and transient disturbance conditions are addressed. Disturbance levels/analytical inputs are obtained for each individual disturber in a "free floating" condition in the Glenn Research Center (GRC) Microgravity Emissions Lab (MEL). Flight spare hardware is tested on an Orbital Replacement Unit (ORU) basis. Based on test and analysis, maximum disturbance level allocations are developed for each ORU. The worst-case disturbances are input into an on-orbit analytical dynamic model of the rack. These models include both NASTRAN and MATLAB Simulink models , which include eigenvector and frequency inputs of the rack rigid body modes, the rack umbilical modes, and the racks' structural modes. The disturbance areas and science locations need to be modeled accurately to give valid predictions. The analytically determined microgravity vibration levels are compared to the CIR science requirements contained in the FCF Science Requirements Envelope Document (SRED). The predicted levels will be compared with the on-orbit measurements provided by the Space Acceleration Measurement System (SAMS) sensor, which is to be mounted on the CIR optics bench.

Vibrational Responses Of Structures To Impulses

NASA Technical Reports Server (NTRS)

Zak, Michail A.

1990-01-01

Report discusses propagation of vibrations in structure in response to impulsive and/or concentrated loads. Effects of pulsed loads treated by analyzing propagation of characteristic vibrational waves explicitly through each member of structure. This wave-front analysis used in combination with usual finite-element modal analysis to obtain more accurate representation of overall vibrational behavior.

FT-IR, FT-Raman, UV-visible, and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol.

PubMed

Chain, Fernando E; Leyton, Patricio; Paipa, Carolina; Fortuna, Mario; Brandán, Silvia A

2015-03-05

In this work, FT-IR, FT-Raman, UV-Visible and NMR spectroscopies and density functional theory (DFT) calculations were employed to study the structural and vibrational properties of the labdane-type diterpene 13-epi-sclareol using the hybrid B3LYP method together with the 6-31G(∗) basis set. Three stable structures with minimum energy found on the potential energy curves (PES) were optimized, and the corresponding molecular electrostatic potentials, atomic charges, bond orders, stabilization energies and topological properties were computed at the same approximation level. The complete assignment of the bands observed in the vibrational spectrum of 13-epi-sclareol was performed taking into account the internal symmetry coordinates for the three structures using the scaled quantum mechanical force field (SQMFF) methodology at the same level of theory. In addition, the force constants were calculated and compared with those reported in the literature for similar compounds. The predicted vibrational spectrum and the calculated (1)H NMR and (13)C NMR chemical shifts are in good agreement with the corresponding experimental results. The theoretical UV-Vis spectra for the most stable structure of 13-epi-sclareol demonstrate a better correlation with the corresponding experimental spectrum. The study of the three conformers by means of the theory of atoms in molecules (AIM) revealed different H bond interactions and a strong dependence of the interactions on the distance between the involved atoms. Furthermore, the natural bond orbital (NBO) calculations showed the characteristics of the electronic delocalization for the two six-membered rings with chair conformations. Copyright © 2014 Elsevier B.V. All rights reserved.

Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.

PubMed

Elsaesser, Thomas

2009-09-15

Hydrogen bonding plays a key role in the structural, physical, and chemical properties of liquids such as water and in macromolecular structures such as proteins. Vibrational spectroscopy is an important tool for understanding hydrogen bonding because it provides a way to observe local molecular geometries and their interaction with the environment. Linear vibrational spectroscopy has mapped characteristic changes of vibrational spectra and the occurrence of new bands that form upon hydrogen bonding. However, linear vibrational spectroscopy gives very limited insight into ultrafast dynamics of the underlying molecular interactions, such as the motions of hydrogen-bonded groups, energy dissipation and delocalization, and the fluctuations within hydrogen-bonded structures that occur in the ultrafast time domain. Nonlinear vibrational spectroscopy with its femtosecond time resolution can discern these dynamic processes in real time and has emerged as an important tool for unraveling molecular dynamics and for quantifying interactions that govern the vibrational and structural dynamics of hydrogen bonds. This Account reviews recent progress originating from third-order nonlinear methods of coherent multidimensional vibrational spectroscopy. Ultrafast dynamics of intermolecular hydrogen bonds are addressed for a number of prototype systems: hydrogen-bonded carboxylic acid dimers in an aprotic liquid environment, the disordered fluctuating hydrogen-bond network of liquid water, and DNA oligomers interacting with water. Cyclic carboxylic acid dimers display a rich scheme of vibrational couplings, resulting in OH stretching absorption bands with highly complex spectral envelopes. Two-dimensional spectroscopy of acetic acid dimers in a nonpolar liquid environment demonstrates that multiple Fermi resonances of the OH stretching mode with overtones and combination tones of fingerprint vibrations dominate both the 2D and linear absorption spectra. The coupling of the OH stretching mode with low-frequency hydrogen-bonding modes leads to additional progressions and coherent low-frequency hydrogen-bond motions in the subpicosecond time domain. In water, the 2D spectra reveal ultrafast spectral diffusion on a sub-100 fs time scale caused by the ultrafast structural fluctuations of the strongly coupled hydrogen-bond network. Librational motions play a key role for the ultrafast loss of structural memory. Spectral diffusion rates are enhanced by resonant transfer of OH stretching quanta between water molecules, typically occurring on a 100 fs time scale. In DNA oligomers, femtosecond nonlinear vibrational spectroscopy resolves NH and OH stretching bands in the highly congested infrared spectra of these molecules, which contain alternating adenine-thymine pairs. Studies at different levels of hydration reveal the spectral signatures of water molecules directly interacting with the phosphate groups of DNA and of a second water species forming a fluctuating environment around the DNA oligomers. We expect that the application of 2D infrared spectroscopy in an extended spectral range will reveal the intrinsic coupling between water and specific functional units of DNA.

Optimal active vibration absorber: Design and experimental results

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

Evaluating Attenuation of Vibration Response using Particle Impact Damping for a Range of Equipment Assemblies

NASA Technical Reports Server (NTRS)

Knight, Brent; Parsons, David; Smith, Andrew; Hunt, Ron; LaVerde, Bruce; Towner, Robert; Craigmyle, Ben

2013-01-01

Particle dampers provide a mechanism for diverting energy away from resonant structural vibrations. This experimental study provides data from a series of acoustically excited tests to determine the effectiveness of these dampers for equipment mounted to a curved orthogrid panel for a launch vehicle application. Vibration attenuation trends are examined for variations in particle damper fill level, component mass, and excitation energy. A significant response reduction at the component level was achieved, suggesting that comparatively small, strategically placed, particle damper devices might be advantageously used in launch vehicle design. These test results were compared to baseline acoustic response tests without particle damping devices, over a range of isolation and damping parameters. Instrumentation consisting of accelerometers, microphones, and still photography data will be collected to correlate with the analytical results.

Dynamic/jitter assessment of multiple potential HabEx structural designs

NASA Astrophysics Data System (ADS)

Knight, J. Brent; Stahl, H. Philip; Singleton, Andy; Hunt, Ron; Therrell, Melissa; Caldwell, Kate; Garcia, Jay; Baysinger, Mike

2017-09-01

One of the driving structural requirements of the Habitable Exo-Planet (HabEx) telescope is to maintain Line Of Sight (LOS) stability between the Primary Mirror (PM) and Secondary Mirror (SM) of <= 5 milli-arc seconds (mas). Dynamic analyses of two configurations of a proposed HabEx 4 meter off-axis telescope structure were performed to predict effects of a vibration input on primary/secondary mirror alignment. The dynamic disturbance used as the forcing function was the James Webb Space Telescope reaction wheel assembly vibration emission specification level. The objective of these analyses was to predict "order-of-magnitude" performance for various structural configurations which contribute to efforts in defining the HabEx structural design's global architecture. Two variations of the basic architectural design were analyzed. Relative motion between the PM and the SM for each design configuration are reported.

Millimeter-Wave Spectroscopy, X-ray Crystal Structure, and Quantum Chemical Studies of Diketene: Resolving Ambiguities Concerning the Structure of the Ketene Dimer.

PubMed

Orr, Vanessa L; Esselman, Brian J; Dorman, P Matisha; Amberger, Brent K; Guzei, Ilia A; Woods, R Claude; McMahon, Robert J

2016-10-06

The pure rotational spectrum of diketene has been studied in the millimeter-wave region from ∼240 to 360 GHz. For the ground vibrational state and five vibrationally excited satellites (ν 24 , 2ν 24 , 3ν 24 , 4ν 24 , and ν 16 ), the observed spectrum allowed for the measurement, assignment, and least-squares fitting a total of more than 10 000 distinct rotational transitions. In each case, the transitions were fit to single-state, complete or near-complete sextic centrifugally distorted rotor models to near experimental error limits using Kisiel's ASFIT. Additionally, we obtained less satisfactory least-squares fits to single-state centrifugally distorted rotor models for three additional vibrational states: ν 24 + ν 16 , ν 23 , and 5ν 24 . The structure of diketene was optimized at the CCSD(T)/ANO1 level, and the vibration-rotation interaction (α i ) values for each normal mode were determined with a CCSD(T)/ANO1 VPT2 anharmonic frequency calculation. These α i values were helpful in identifying the previously unreported ν 16 and ν 23 fundamental states. We obtained a single-crystal X-ray structure of diketene at -173 °C. The bond distances are increased in precision by more than an order of magnitude compared to those in the 1958 X-ray crystal structure. The improved accuracy of the crystal structure geometry resolves the discrepancy between previous computational and experimental structures. The rotational transition frequencies provided herein should be useful for a millimeter-wave or terahertz search for diketene in the interstellar medium.

Development of a long-gauge vibration sensor

NASA Astrophysics Data System (ADS)

Kung, Peter; Comanici, Maria I.

2014-06-01

Recently, we found that by terminating a long length of fiber of up to 2 km with an in-fiber cavity structure, the entire structure can detect vibrations over a frequency range from 5 Hz to 100 Hz. We want to determine whether the structure (including packaging) can be optimized to detect vibrations at even higher frequencies. The structure can be used as a distributed vibration sensor mounted on large motors and other rotating machines to capture the entire frequency spectrum of the associated vibration signals, and therefore, replace the many accelerometers, which add to the maintenance cost. Similarly, it will help detect in-slot vibrations which cause intermittent contact leading to sparking under high voltages inside air-cooled generators. However, that will require the sensor to detect frequencies associated with vibration sparking, ranging from 6 kHz to 15 kHz. Then, at even higher frequencies, the structure can be useful to detect acoustic vibrations (30 kHz to 150 kHz) associated with partial discharge (PD) in generators and transformers. Detecting lower frequencies in the range 2 Hz to 200 Hz makes the sensor suitable for seismic studies and falls well into the vibrations associated with rotating machines. Another application of interest is corrosion detection in large re-enforced concrete structures by inserting the sensor along a long hole drilled around structures showing signs of corrosion. The frequency response for the proposed long-gauge vibration sensor depends on packaging.

Evaluation of reaction time performance and subjective drowsiness during whole-body vibration exposure

NASA Astrophysics Data System (ADS)

Azizan, A.; Zali, Z.; Padil, H.

2018-05-01

Despite the automotive industry’s interest in how vibration affects the level of human comfort, there is little focus on the effect of vibration on drowsiness level. Thus, this study involves eighteen healthy male participants to study the effect of exposure to vibration on the drowsiness level. Prior to the experiment, the total transmitted vibration measured at interfaces between the seat pan and seat back to the human body for each participant was modified to become 0.2 ms-2 r.m.s and 0.4 ms-2 r.m.s. During the experiment, the participants were seated and exposed to 20-minutes of Gaussian random vibration with frequency band 1-15 Hz at two level of amplitude (low vibration amplitude and medium vibration amplitude) on separate days. The level of drowsiness was measured using a PVT test prior and after exposure to the vibration while participants rated their subjective drowsiness by using the Karolinska Sleepiness Scale (KSS). The significant increase in the number of lapse and reaction time because of the exposure to vibration in both conditions provide strong evidence of drowsiness. In this regard, the medium vibration amplitude shows a more prominent effect. All participants have shown a steady increase of drowsiness level in KSS. Meanwhile, there are no significant differences found between low vibration amplitude and medium vibration amplitude in the KSS. These findings suggest that human alertness level is greatly affected by the exposure to vibration and these effects are more pronounced at higher vibration amplitude. Both findings indicate that the presence of vibration promotes drowsiness, especially at higher vibration amplitude.

49 CFR Appendix C to Part 173 - Procedure for Base-level Vibration Testing

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 2 2012-10-01 2012-10-01 false Procedure for Base-level Vibration Testing C... Base-level Vibration Testing Base-level vibration testing shall be conducted as follows: 1. Three... platform. 4. Immediately following the period of vibration, each package shall be removed from the platform...

Reduction of the Radiating Sound of a Submerged Finite Cylindrical Shell Structure by Active Vibration Control

PubMed Central

Kim, Heung Soo; Sohn, Jung Woo; Jeon, Juncheol; Choi, Seung-Bok

2013-01-01

In this work, active vibration control of an underwater cylindrical shell structure was investigated, to suppress structural vibration and structure-borne noise in water. Finite element modeling of the submerged cylindrical shell structure was developed, and experimentally evaluated. Modal reduction was conducted to obtain the reduced system equation for the active feedback control algorithm. Three Macro Fiber Composites (MFCs) were used as actuators and sensors. One MFC was used as an exciter. The optimum control algorithm was designed based on the reduced system equations. The active control performance was then evaluated using the lab scale underwater cylindrical shell structure. Structural vibration and structure-borne noise of the underwater cylindrical shell structure were reduced significantly by activating the optimal controller associated with the MFC actuators. The results provide that active vibration control of the underwater structure is a useful means to reduce structure-borne noise in water. PMID:23389344

Reduction of the radiating sound of a submerged finite cylindrical shell structure by active vibration control.

PubMed

Kim, Heung Soo; Sohn, Jung Woo; Jeon, Juncheol; Choi, Seung-Bok

2013-02-06

In this work, active vibration control of an underwater cylindrical shell structure was investigated, to suppress structural vibration and structure-borne noise in water. Finite element modeling of the submerged cylindrical shell structure was developed, and experimentally evaluated. Modal reduction was conducted to obtain the reduced system equation for the active feedback control algorithm. Three Macro Fiber Composites (MFCs) were used as actuators and sensors. One MFC was used as an exciter. The optimum control algorithm was designed based on the reduced system equations. The active control performance was then evaluated using the lab scale underwater cylindrical shell structure. Structural vibration and structure-borne noise of the underwater cylindrical shell structure were reduced significantly by activating the optimal controller associated with the MFC actuators. The results provide that active vibration control of the underwater structure is a useful means to reduce structure-borne noise in water.

Histopathologic study of human vocal fold mucosa unphonated over a decade.

PubMed

Sato, Kiminori; Umeno, Hirohito; Ono, Takeharu; Nakashima, Tadashi

2011-12-01

Mechanotransduction caused by vocal fold vibration could possibly be an important factor in the maintenance of extracellular matrices and layered structure of the human adult vocal fold mucosa as a vibrating tissue after the layered structure has been completed. Vocal fold stellate cells (VFSCs) in the human maculae flavae of the vocal fold mucosa are inferred to be involved in the metabolism of extracellular matrices of the vocal fold mucosa. Maculae flavae are also considered to be an important structure in the growth and development of the human vocal fold mucosa. Tension caused by phonation (vocal fold vibration) is hypothesized to stimulate the VFSCs to accelerate production of extracellular matrices. A human adult vocal fold mucosa unphonated over a decade was investigated histopathologically. Vocal fold mucosa unphonated for 11 years and 2 months of a 64-year-old male with cerebral hemorrhage was investigated by light and electron microscopy. The vocal fold mucosae (including maculae flavae) were atrophic. The vocal fold mucosa did not have a vocal ligament, Reinke's space or a layered structure. The lamina propria appeared as a uniform structure. Morphologically, the VFSCs synthesized fewer extracellular matrices, such as fibrous protein and glycosaminoglycan. Consequently, VFSCs appeared to decrease their level of activity.

Structural Analysis of the Support System for a Large Compressor Driven by a Synchronous Electric Motor

NASA Technical Reports Server (NTRS)

Winter, J. R.

1984-01-01

For economic reasons, the steam drive for a large compressor was replaced by a large synchronous electric motor. Due to the resulting large increase in mass and because the unit was mounted on a steel frame approximately 18 feet above ground level, it was deemed necessary to determine if a steady state or transient vibration problem existed. There was a definite possibility that a resonant or near resonant condition could be encountered. The ensuing analysis, which led to some structural changes as the analysis proceeded, did not reveal any major steady state vibration problems. However, the analysis did indicate that the system would go through several natural frequencies of the support structure during start-up and shutdown. This led to the development of special start-up and shutdown procedures to minimize the possibility of exciting any of the major structural modes. A coast-down could result in significant support structure and/or equipment damage, especially under certain circumstances. In any event, dynamic field tests verified the major analytical results. The unit has now been operating for over three years without any major vibration problems.

Real-time vibration-based structural damage detection using one-dimensional convolutional neural networks

NASA Astrophysics Data System (ADS)

Abdeljaber, Osama; Avci, Onur; Kiranyaz, Serkan; Gabbouj, Moncef; Inman, Daniel J.

2017-02-01

Structural health monitoring (SHM) and vibration-based structural damage detection have been a continuous interest for civil, mechanical and aerospace engineers over the decades. Early and meticulous damage detection has always been one of the principal objectives of SHM applications. The performance of a classical damage detection system predominantly depends on the choice of the features and the classifier. While the fixed and hand-crafted features may either be a sub-optimal choice for a particular structure or fail to achieve the same level of performance on another structure, they usually require a large computation power which may hinder their usage for real-time structural damage detection. This paper presents a novel, fast and accurate structural damage detection system using 1D Convolutional Neural Networks (CNNs) that has an inherent adaptive design to fuse both feature extraction and classification blocks into a single and compact learning body. The proposed method performs vibration-based damage detection and localization of the damage in real-time. The advantage of this approach is its ability to extract optimal damage-sensitive features automatically from the raw acceleration signals. Large-scale experiments conducted on a grandstand simulator revealed an outstanding performance and verified the computational efficiency of the proposed real-time damage detection method.

Observation of b 2 symmetry vibrational levels of the SO 2C 1B 2 state: Vibrational level staggering, Coriolis interactions, and rotation-vibration constants

DOE PAGES

Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.; ...

2016-04-14

Here, the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b 2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X ~ state are vibronically forbidden. We use IR-UV double resonance to observe the b 2 vibrational levels of the C state below 1600 cm –1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less

Observation of b 2 symmetry vibrational levels of the SO 2C 1B 2 state: Vibrational level staggering, Coriolis interactions, and rotation-vibration constants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.

Here, the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b 2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X ~ state are vibronically forbidden. We use IR-UV double resonance to observe the b 2 vibrational levels of the C state below 1600 cm –1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less

Anharmonic vibrational spectroscopy, NBO charges and global chemical reactivity studies on the charge transfer PDCA-.AHMP+ single crystal using DFT calculations

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Afroz, Ziya; Bhat, Sheeraz Ahmad; Alam, Mohamad Jane; Ahmad, Shabbir; Ahmad, Afaq

2018-04-01

The charge transfer (CT) complex of the 2-amino-4-hydroxy-6-methylpyrimidine and 2,3 pyrazinedicarboxylic acid (PDCA-.AHMP+) was synthesized and its single crystal was grown by solution method. The structure of the crystalline complex has been investigated by single crystal X-ray diffraction (SCXRD). The vibrational features of the complex have been studied with the help of FTIR spectra and DFT computation. The anharmonic corrections in vibrational frequencies are made using the GVPT2 method at B3LYP/6-311++G(d,p) level of theory. The frontier molecular orbitals and global chemical reactivity have been calculated to understand the pharmacological aspect of the synthesized crystal. Furthermore, Hirshfeld electrostatic potential (ESP) surface, void space in the crystal structure and natural as well as Mulliken atomic charges are studied.

Analysis of vibrational, structural, and electronic properties of rivastigmine by density functional theory

NASA Astrophysics Data System (ADS)

Prasad, O.; Sinha, L.; Misra, N.; Narayan, V.; Kumar, N.; Kumar, A.

2010-09-01

The present work deals with the structural, electronic, and vibrational analysis of rivastigmine. Rivastigmine, an antidementia medicament, is credited with significant therapeutic effects on the cognitive, functional, and behavioural problems that are commonly associated with Alzheimer’s dementia. For rivastigmine, a number of minimum energy conformations are possible. The geometry of twelve possible conformers has been analyzed and the most stable conformer was further optimized at a higher basis set. The electronic properties and vibrational frequencies were then calculated using a density functional theory at the B3LYP level with the 6-311+G(d, p) basis set. The different molecular surfaces have also been drawn to understand the activity of the molecule. A narrower frontier orbital energy gap in rivastigmine makes it softer and more reactive than water and dimethylfuran. The calculated value of the dipole moment is 2.58 debye.

Experiments on active isolation using distributed PVDF error sensors

NASA Technical Reports Server (NTRS)

Lefebvre, S.; Guigou, C.; Fuller, C. R.

1992-01-01

A control system based on a two-channel narrow-band LMS algorithm is used to isolate periodic vibration at low frequencies on a structure composed of a rigid top plate mounted on a flexible receiving plate. The control performance of distributed PVDF error sensors and accelerometer point sensors is compared. For both sensors, high levels of global reduction, up to 32 dB, have been obtained. It is found that, by driving the PVDF strip output voltage to zero, the controller may force the structure to vibrate so that the integration of the strain under the length of the PVDF strip is zero. This ability of the PVDF sensors to act as spatial filters is especially relevant in active control of sound radiation. It is concluded that the PVDF sensors are flexible, nonfragile, and inexpensive and can be used as strain sensors for active control applications of vibration isolation and sound radiation.

Structural and vibrational study of a neurotransmitter molecule: Dopamine [4-(2-aminoethyl) benzene-1,2-diol

NASA Astrophysics Data System (ADS)

Jha, Omkant; Yadav, T. K.; Yadav, R. A.

2018-01-01

Structural and vibrational studies for the most stable conformer of dopamine {4-(2-Aminoethyl) benzene-1, 2-diol} have been carried out at the DFT/B3LYP/6-311 ++G** level using the Gaussian 09 software. The IR and Raman spectra have been recorded and analyzed in light of the computed vibrational parameters using the DFT and the PEDs computed with the help of the GAR2PED software. Some of the fundamentals have considerably changed frequencies in going from benzene to dopamine. Except the rocking and wagging modes of the NH2 group the other four modes are pure group modes. The rocking and wagging modes of the NH2 group show mixing with the other modes. The two Osbnd H stretching vibrations are highly localized modes. The Kekule phenyl ring stretching mode is found to remain almost unchanged. The HOMO-LUMO study suggests the existence of charge transfer within the molecule and the energy gap supports the pharmacological active property of the dopamine molecule. The NBO analysis has been carried out to understand the proper and improper hydrogen bonding.

Safranin-O dye in the ground state. A study by density functional theory, Raman, SERS and infrared spectroscopy

NASA Astrophysics Data System (ADS)

Lofrumento, C.; Arci, F.; Carlesi, S.; Ricci, M.; Castellucci, E.; Becucci, M.

2015-02-01

The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311 + G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles.

Fatigue study and improve reliability of cantilever type micro piezoelectric energy harvesters reinforced with flexible adhesive conductive tape

NASA Astrophysics Data System (ADS)

Lin, T. K.; Hsieh, Y. C.; Chen, C. T.; Chen, J. J.; Wu, W. J.

2016-04-01

Cantilever type piezoelectric energy harvester (PEH) is widely adopted in the design of vibration energy harvesters because of simple, effective and easy to fabricate. When the PEH is working under excitation of continuous vibration sources, like mounting on motors, reliability and durability is a major concern. The failure mode and fatigue issues will be important design considerations in field applications. Since the largest strain of a cantilever structure is located in the clamping position of fixed end, the location is therefore the weakest point of the structure and the hot zone of mechanical cracks. The failure mode due to fatigue under long time excitation of vibration sources is typically continuously developing small cracks on the piezoelectric PZT films till tearing the surface electrodes and caused open circuit to the output circuitry. Therefore, extending the lifetime with minimize the surface electrodes cracking becomes a key point for field applications. Previously, we focused on the output performance of PEH. At PowerMEMS 2014 [1], we presented a high performance PEH based on PZT thin films fabricated with a homemade PZT deposition equipment on stainless steel substrates. We confirmed that the stainless steel based PEH can generate better output power than silicon based devices under the same vibration excitation levels, and also the stainless based PEH can have longer lifetime when excited at higher vibration levels due to better mechanical strength. In this study, we tried to further reinforce the PEH with a conductive adhesive tape sticking on the surface electrode near the clamping position. We investigated the change of failure mode and mechanical behaviors, including the frequency bandwidth and non-linearity of the piezoelectric energy harvester. The PEH devices was mounted on a shaker for long time testing with vibration frequency set around 120Hz at 0.5g, 0.6g, and 0.7g acceleration vibration levels. The electrodes of the PEH device were cracked after 13 million cycles under 0.5g and 1 million cycles under 0.6g. The PEH has significant output power decreasing after the electrode is cracked and before being fully open circuit. The cracks of stainless steel substrate was also found after 1 million cycles under 0.7g vibration. For the device reinforced with conductive adhesive tape, we can see a steady output without degradation extended to more than 1.5 million cycles under 0.7g vibration. The other interesting finding in this study is with the added damping after adhering the conductive tape, the frequency bandwidth increased from 1.5Hz to 4Hz under 0.5g vibration level while the resonance frequency increased from 105Hz to 128Hz. Moreover, the reinforced devices have much better stability and linearity performance compared with the original devices. All the experimental details and discussion of the flexible conductive adhesive tape reinforced PEH will all be detailed in this paper.

Harnessing data structure for recovery of randomly missing structural vibration responses time history: Sparse representation versus low-rank structure

NASA Astrophysics Data System (ADS)

Yang, Yongchao; Nagarajaiah, Satish

2016-06-01

Randomly missing data of structural vibration responses time history often occurs in structural dynamics and health monitoring. For example, structural vibration responses are often corrupted by outliers or erroneous measurements due to sensor malfunction; in wireless sensing platforms, data loss during wireless communication is a common issue. Besides, to alleviate the wireless data sampling or communication burden, certain accounts of data are often discarded during sampling or before transmission. In these and other applications, recovery of the randomly missing structural vibration responses from the available, incomplete data, is essential for system identification and structural health monitoring; it is an ill-posed inverse problem, however. This paper explicitly harnesses the data structure itself-of the structural vibration responses-to address this (inverse) problem. What is relevant is an empirical, but often practically true, observation, that is, typically there are only few modes active in the structural vibration responses; hence a sparse representation (in frequency domain) of the single-channel data vector, or, a low-rank structure (by singular value decomposition) of the multi-channel data matrix. Exploiting such prior knowledge of data structure (intra-channel sparse or inter-channel low-rank), the new theories of ℓ1-minimization sparse recovery and nuclear-norm-minimization low-rank matrix completion enable recovery of the randomly missing or corrupted structural vibration response data. The performance of these two alternatives, in terms of recovery accuracy and computational time under different data missing rates, is investigated on a few structural vibration response data sets-the seismic responses of the super high-rise Canton Tower and the structural health monitoring accelerations of a real large-scale cable-stayed bridge. Encouraging results are obtained and the applicability and limitation of the presented methods are discussed.

Structure and vibrational spectra of pyridine betaine hydrochloride

NASA Astrophysics Data System (ADS)

Szafran, Mirosław; Koput, Jacek; Baran, Jan; Głowiak, Tadeusz

1997-12-01

The crystal structure of pyridine betaine hydrochloride (PBET·HCl) was determined by X-ray diffraction to be monoclinic, space group {P2 1}/{c} with a = 8.533(2) Å, b = 9.548(2) Å, c = 10.781(2) Å, β = 107.228(3)° and Z = 4. Betaine is protonated and the carboxyl group forms a hydrogen bond with the chloride ion: O·Cl - distance is 2.928(3) Å. The interaction of pyridine betaine (PBET) with HCl was examined by ab initio self-consistent field (SCF), second-order Møller-Plesset (MP2) and density functional theory (DFT) methods using the 6-31G(d,p) basis set. Two minima are located in the potential surface at the SCF level (PBETH +·Cl - and PBET·HCl, with the latter being 1.2 kcal mol -1 lower in energy) and only one minimum (PBET·HCl) at the MP2 and DFT levels. The molecular parameters of PBETH +·Cl -, computed by the SCF method, reproduce the corresponding experimental data. The computed vibrational frequencies of PBETH +·Cl - resemble correctly the experimental vibrational spectrum in the solid state. The root-mean-square (r.m.s.) deviations between the experimental and calculated SCF frequencies are 65 cm -1 for all bands and 15 cm -1 without the νClH band. All measured IR bands were interpreted in terms of the calculated vibrational models.

Estimate of the effect of micro-vibration on the performance of the Algerian satellite (Alsat-1B) imager

NASA Astrophysics Data System (ADS)

Serief, Chahira

2017-11-01

Alsat-1B, launched into a 670 km sun-synchronous orbit on board the PSLV launch vehicle from the Sriharikota launch site in India on 26 September 2016, is a medium resolution Earth Observation satellite with a mass of 100 kg. Alsat-1B will be used for agricultural and resource monitoring, disaster management, land use mapping and urban planning. It is based on the SSTL-100 platform, and flies a 24 m multispectral imager and a 12 m panchromatic imager delivering images with a swath width of 140 km. One of the main factors affecting the performance of satellite-borne optical imaging systems is micro-vibration. Micro-vibration is a low level mechanical disturbance inevitably generated from moving parts on a satellite and exceptionally difficult to be controlled by the attitude and orbital control system (AOCS) of a spacecraft. Micro-vibration usually causes problems for optical imaging systems onboard Earth Observation satellites. The major effect of micro-vibration is the excitation of the support structures for the optical elements during imaging operations which can result in severe degradation of image quality by smearing and distortion. Quantitative characterization of image degradation caused by micro-vibration is thus quite useful and important as part of system level analysis which can help preventing micro-vibration influence by proper design and restoring the degraded image. The aim of this work is to provide quantitative estimates of the effect of micro-vibration on the performance of Alsat-1B imager, which may be experienced operationally, in terms of the modulation transfer function (MTF) and based on ground micro-vibration tests results.

Nonlinear effects of a modal domain optical fiber sensor in a vibration suppression control loop for a flexible structure

NASA Technical Reports Server (NTRS)

Lindner, D. K.; Zvonar, G. A.; Baumann, W. T.; Delos, P. L.

1993-01-01

Recently, a modal domain optical fiber sensor has been demonstrated as a sensor in a control system for vibration suppression of a flexible cantilevered beam. This sensor responds to strain through a mechanical attachment to the structure. Because this sensor is of the interferometric type, the output of the sensor has a sinusoidal nonlinearity. For small levels of strain, the sensor can be operated in its linear region. For large levels of strain, the detection electronics can be configured to count fringes. In both of these configurations, the sensor nonlinearity imposes some restrictions on the performance of the control system. In this paper we investigate the effects of these sensor nonlinearities on the control system, and identify the region of linear operation in terms of the optical fiber sensor parameters.

An adjoint method of sensitivity analysis for residual vibrations of structures subject to impacts

NASA Astrophysics Data System (ADS)

Yan, Kun; Cheng, Gengdong

2018-03-01

For structures subject to impact loads, the residual vibration reduction is more and more important as the machines become faster and lighter. An efficient sensitivity analysis of residual vibration with respect to structural or operational parameters is indispensable for using a gradient based optimization algorithm, which reduces the residual vibration in either active or passive way. In this paper, an integrated quadratic performance index is used as the measure of the residual vibration, since it globally measures the residual vibration response and its calculation can be simplified greatly with Lyapunov equation. Several sensitivity analysis approaches for performance index were developed based on the assumption that the initial excitations of residual vibration were given and independent of structural design. Since the resulting excitations by the impact load often depend on structural design, this paper aims to propose a new efficient sensitivity analysis method for residual vibration of structures subject to impacts to consider the dependence. The new method is developed by combining two existing methods and using adjoint variable approach. Three numerical examples are carried out and demonstrate the accuracy of the proposed method. The numerical results show that the dependence of initial excitations on structural design variables may strongly affects the accuracy of sensitivities.

FTIR, FT-Raman, UV-Visible spectra and quantum chemical calculations of allantoin molecule and its hydrogen bonded dimers.

PubMed

Alam, Mohammad Jane; Ahmad, Shabbir

2015-02-05

FTIR, FT-Raman and electronic spectra of allantoin molecule are recorded and investigated using DFT and MP2 methods with 6-311++G(d,p) basis set. The molecular structure, anharmonic vibrational spectra, natural atomic charges, non-linear optical properties, etc. have been computed for the ground state of allantoin. The anharmonic vibrational frequencies are calculated using PT2 algorithm (Barone method) as well as VSCF and CC-VSCF methods. These methods yield results that are in remarkable agreement with the experiment. The coupling strengths between pairs of modes are also calculated using coupling integral based on 2MR-QFF approximation. The simulations on allantoin dimers have been also performed at B3LYP/6-311++G(d,p) level of theory to investigate the effect of the intermolecular interactions on the molecular structure and vibrational frequencies of the monomer. Vibrational assignments are made with the great accuracy using PED calculations and animated modes. The combination and overtone bands have been also identified in the FTIR spectrum with the help of anharmonic computations. The electronic spectra are simulated in gas and solution at TD-B3LYP/6-311++G(d,p) level of theory. The important global quantities such as electro-negativity, electronic chemical potential, electrophilicity index, chemical hardness and softness based on HOMO, LUMO energy eigenvalues are also computed. NBO analysis has been performed for monomer and dimers of allantoin at B3LYP/6-311++G(d,p) level of theory. Copyright © 2014 Elsevier B.V. All rights reserved.

Jet-Cooled Laser-Induced Fluorescence Spectroscopy of T-Butoxy

NASA Astrophysics Data System (ADS)

Reilly, Neil J.; Cheng, Lan; Stanton, John F.; Miller, Terry A.; Liu, Jinjun

2015-06-01

The vibrational structures of the tilde A ^2A_1 and tilde X ^2E states of t-butoxy were obtained in jet-cooled laser-induced fluorescence (LIF) and dispersed fluorescence (DF) spectroscopic measurements. The observed transitions are assigned based on vibrational frequencies calculated using Complete Active Space Self-Consistent Field (CASSCF) method and the predicted Franck-Condon factors. The spin-orbit (SO) splitting was measured to be 35(5) cm-1 for the lowest vibrational level of the ground (tilde X ^2E) state and increases with increasing vibrational quantum number of the CO stretch mode. Vibronic analysis of the DF spectra suggests that Jahn-Teller (JT)-active modes of the ground-state t-butoxy radical are similar to those of methoxy and would be the same if methyl groups were replaced by hydrogen atoms. Coupled-cluster calculations show that electron delocalization, introduced by the substitution of hydrogens with methyl groups, reduces the electronic contribution of the SO splittings by only around ten percent, and a calculation on the vibronic levels based on quasidiabatic model Hamiltonian clearly attributes the relatively small SO splitting of the tilde X ^2E state of t-butoxy mainly to stronger reduction of orbital angular momentum by the JT-active modes when compared to methoxy. The rotational and fine structure of the LIF transition to the first CO stretch overtone level of the tilde A^2A_1 state has been simulated using a spectroscopic model first proposed for methoxy, yielding an accurate determination of the rotational constants of both tilde A and tilde X states.

Free Vibration Response Comparison of Composite Beams with Fluid Structure Interaction

DTIC Science & Technology

2012-09-01

fluid damping to vibrating structures when in contact with a fluid medium such as water . The added mass effect changes the dynamic responses of the...200 words) The analysis of the dynamic response of a vibrating structure in contact with a fluid medium can be interpreted as an added mass effect...INTENTIONALLY LEFT BLANK v ABSTRACT The analysis of the dynamic response of a vibrating structure in contact with a fluid medium can be interpreted as

Active damping using a control structure interaction approach

NASA Astrophysics Data System (ADS)

Umland, Jeffrey W.

1991-12-01

The vibration control of flexible structures using electromagnetic actuators is investigated. A model of an electromagnetic voice coil actuator is developed from elementary theory, and the required parameters are measured. Given a constant magnetic field, the force output of the voice coil varies linearly with the current flowing through the coil. The primary damping mechanism of the actuator used is found to be Coulomb friction. It is seen that Coulomb friction inhibits the response of the actuator to low levels of excitation. It is also seen that the actuator displayed a nonlinear relationship between force and current indicating that the applied magnetic field was not constant. This nonlinearity leads to a closed loop instability. Several design improvements are considered. Four different feedback control laws are developed to add active damping to a structure. The actuator is used as both a point force source and as a link in a mechanism that applies bending moments at two places on the structure. The actuator is used as both a point force source and as a link in a mechanism that applies bending moments at two places on the structure. The first control law uses the actuator as a traditional passive vibration absorber. The second control law is direct structural velocity feedback plus direct proof mass position feedback. The third control strategy is also direct structural velocity feedback but using compensated feedback of the proof mass position. The compensator is designed according to an H infinity optimization technique. The fourth control law uses the actuator as an equivalent mechanical viscous damper connected to two points on the structure. The results show that using direct structural velocity feedback provides improved vibration suppression in comparison to a traditional vibration absorber. Furthermore, the tuning criteria is only restricted to maintaining the actuator's single degree of freedom natural frequency below those of the structure to which it is attached.

The determination of potential energy curve and dipole moment of the (5)0{sup +} electronic state of {sup 85}Rb{sup 133}Cs molecule by high resolution photoassociation spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, Jinpeng; Zhao, Yanting, E-mail: zhaoyt@sxu.edu.cn; Ji, Zhonghua

2015-12-14

We present the formation of ultracold {sup 85}Rb{sup 133}Cs molecules in the (5)0{sup +} electronic state by photoassociation and their detection via resonance-enhanced two-photon ionization. Up to v = 47 vibrational levels including the lowest v = 0 vibrational and lowest J = 0 levels are identified with rotationally resolved high resolution photoassociation spectra. Precise Dunham coefficients are determined for the (5)0{sup +} state with high accuracy, then the Rydberg-Klein-Rees potential energy curve is derived. The electric dipole moments with respect to the vibrational numbers of the (5)0{sup +} electronic state of {sup 85}Rb{sup 133}Cs molecule are also measured inmore » the range between 1.9 and 4.8 D. These comprehensive studies on previously unobserved rovibrational levels of the (5)0{sup +} state are helpful to understand the molecular structure and discover suitable transition pathways for transferring ultracold atoms to deeply bound rovibrational levels of the electronic ground state.« less

Applications of Fault Detection in Vibrating Structures

NASA Technical Reports Server (NTRS)

Eure, Kenneth W.; Hogge, Edward; Quach, Cuong C.; Vazquez, Sixto L.; Russell, Andrew; Hill, Boyd L.

2012-01-01

Structural fault detection and identification remains an area of active research. Solutions to fault detection and identification may be based on subtle changes in the time series history of vibration signals originating from various sensor locations throughout the structure. The purpose of this paper is to document the application of vibration based fault detection methods applied to several structures. Overall, this paper demonstrates the utility of vibration based methods for fault detection in a controlled laboratory setting and limitations of applying the same methods to a similar structure during flight on an experimental subscale aircraft.

A vibrational spectroscopic study of hydrated Fe(3+) hydroxyl-sulfates; polymorphic minerals butlerite and parabutlerite.

PubMed

Cejka, Jiří; Sejkora, Jiří; Plášil, Jakub; Bahfenne, Silmarilly; Palmer, Sara J; Frost, Ray L

2011-09-01

Raman and infrared spectra of two polymorphous minerals with the chemical formula Fe3+(SO4)(OH)·2H2O, monoclinic butlerite and orthorhombic parabutlerite, are studied and the spectra assigned. Observed bands are attributed to the (SO4)2- stretching and bending vibrations, hydrogen bonded water molecules, stretching and bending vibrations of hydroxyl ions, water librational modes, Fe-O and Fe-OH stretching vibrations, Fe-OH bending vibrations and lattice vibrations. The O-H⋯O hydrogen bond lengths in the structures of both minerals are calculated from the wavenumbers of the stretching vibrations. One symmetrically distinct (SO4)2- unit in the structure of butlerite and two symmetrically distinct (SO4)2- units in the structure of parabutlerite are inferred from the Raman and infrared spectra. This conclusion agrees with the published crystal structures of both mineral phases. Copyright © 2011 Elsevier B.V. All rights reserved.

[Research on the emission spectrum of NO molecule's γ-band system by corona discharge].

PubMed

Zhai, Xiao-dong; Ding, Yan-jun; Peng, Zhi-min; Luo, Rui

2012-05-01

The optical emission spectrum of the gamma-band system of NO molecule, A2 sigma+ --> X2 pi(r), has been analyzed and calculated based on the energy structure of NO molecule' doublet states. By employing the theory of diatomic molecular Spectra, some key parameters of equations for the radiative transition intensity were evaluated theoretically, including the potentials of the doublet states of NO molecule's upper and lower energy levels, the electronic transition moments calculated by using r-centroid approximation method, and the Einstein coefficient of different vibrational and rotational levels. The simulated spectrum of the gamma-band system was calculated as a function of different vibrational and rotational temperature. Compared to the theoretical spectroscopy, the measured results were achieved from corona discharge experiments of NO and N2. The vibrational and rotational temperatures were determined approximately by fitting the measured spectral intensities with the calculated ones.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moberg, Daniel R.; Straight, Shelby C.; Knight, Christopher

Here, an unambiguous assignment of the vibrational spectra of ice I h remains a matter of debate. This study demonstrates that an accurate representation of many-body interactions between water molecules, combined with an explicit treatment of nuclear quantum effects through many-body molecular dynamics (MB-MD), leads to a unified interpretation of the vibrational spectra of ice I h in terms of the structure and dynamics of the underlying hydrogen-bond network. All features of the infrared and Raman spectra in the OH stretching region can be unambiguously assigned by taking into account both the symmetry and the delocalized nature of the latticemore » vibrations as well as the local electrostatic environment experienced by each water molecule within the crystal. The high level of agreement with experiment raises prospects for predictive MB-MD simulations that, complementing analogous measurements, will provide molecular-level insights into fundamental processes taking place in bulk ice and on ice surfaces under different thermodynamic conditions.« less

Influence of light-induced conical intersection on the photodissociation dynamics of D2(+) starting from individual vibrational levels.

PubMed

Halász, Gábor J; Csehi, András; Vibók, Ágnes; Cederbaum, Lorenz S

2014-12-26

Previous works have shown that dressing of diatomic molecules by standing or by running laser waves gives rise to the appearance of so-called light-induced conical intersections (LICIs). Because of the strong nonadiabatic couplings, the existence of such LICIs may significantly change the dynamical properties of a molecular system. In our former paper (J. Phys. Chem. A 2013, 117, 8528), the photodissociation dynamics of the D(2)(+) molecule were studied in the LICI framework starting the initial vibrational nuclear wave packet from the superposition of all the vibrational states initially produced by ionizing D(2). The present work complements our previous investigation by letting the initial nuclear wave packets start from different individual vibrational levels of D(2)(+), in particular, above the energy of the LICI. The kinetic energy release spectra, the total dissociation probabilities, and the angular distributions of the photofragments are calculated and discussed. An interesting phenomenon has been found in the spectra of the photofragments. Applying the light-induced adiabatic picture supported by LICI, explanations are given for the unexpected structure of the spectra.

Vibrationally-Resolved Kinetic Isotope Effects in the Proton-Transfer Dynamics of Ground-State Tropolone

NASA Astrophysics Data System (ADS)

Chew, Kathryn; Vealey, Zachary; Vaccaro, Patrick

2015-06-01

The vibrational and isotopic dependence of the hindered (tunneling-mediated) proton-transfer reaction taking place in the ground electronic state ( X1{A}1) of monodeuterated tropolone (TrOD) has been explored under ambient (bulk-gas) conditions by applying two-color variants of resonant four-wave mixing (RFWM) spectroscopy in conjunction with polarization-resolved detection schemes designed to alleviate spectral complexity and facilitate rovibrational assignments. Full rotation-tunneling analyses of high-resolution spectral profiles acquired for the fundamental and first-overtone bands of a reaction-promoting O-D\\cdotsO deformation/ring-breathing mode, νb{36}(a1), were performed, thereby extracting refined structural and dynamical information that affords benchmarks for the quantitative interpretation of tunneling-induced signatures found in long-range scans of X1{A}1 vibrational levels residing below Etilde{X}vib = 1700 wn}. Observed kinetic isotope effects, which reflect changes in both reaction kinematics and vibrational displacements, will be discussed, with high-level quantum-chemical calculations serving to elucidate state-resolved propensities for proton transfer in TrOH and TrOD.

Understanding the atomic-level Green-Kubo stress correlation function for a liquid through phonons in a model crystal

NASA Astrophysics Data System (ADS)

Levashov, V. A.

2014-11-01

In order to gain insight into the connection between the vibrational dynamics and the atomic-level Green-Kubo stress correlation function in liquids, we consider this connection in a model crystal instead. Of course, vibrational dynamics in liquids and crystals are quite different and it is not expected that the results obtained on a model crystal should be valid for liquids. However, these considerations provide a benchmark to which the results of the previous molecular dynamics simulations can be compared. Thus, assuming that vibrations are plane waves, we derive analytical expressions for the atomic-level stress correlation functions in the classical limit and analyze them. These results provide, in particular, a recipe for analysis of the atomic-level stress correlation functions in Fourier space and extraction of the wave-vector and frequency-dependent information. We also evaluate the energies of the atomic-level stresses. The energies obtained are significantly smaller than the energies previously determined in molecular dynamics simulations of several model liquids. This result suggests that the average energies of the atomic-level stresses in liquids and glasses are largely determined by the structural disorder. We discuss this result in the context of equipartition of the atomic-level stress energies. Analysis of the previously published data suggests that it is possible to speak about configurational and vibrational contributions to the average energies of the atomic-level stresses in a glass state. However, this separation in a liquid state is problematic. We also introduce and briefly consider the atomic-level transverse current correlation function. Finally, we address the broadening of the peaks in the pair distribution function with increase of distance. We find that the peaks' broadening (by ≈40 % ) occurs due to the transverse vibrational modes, while contribution from the longitudinal modes does not change with distance.

Real time observation of the excimer formation dynamics of a gas phase benzene dimer by picosecond pump-probe spectroscopy.

PubMed

Miyazaki, Mitsuhiko; Fujii, Masaaki

2015-10-21

We observed the real-time excimer (EXC) formation dynamics of a gas phase benzene dimer (Bz2) cluster after photo-excitation to the S1 state by applying an ionization detected picosecond transient absorption method for probing the visible EXC absorption for the first time. The time evolution of the EXC absorption from the S1 0(0) level shows a rise that is well fitted by a single exponential function with a time constant of 18 ± 2 ps. The structure of the Bz dimer has a T-shaped structure in the ground electronic state, and that in the EXC state is a parallel sandwich (SW) structure. Thus, the observed rise time corresponds to the structural change from the T to the SW structures, which directly shows the EXC formation. On the other hand, the EXC formation after excitation of the S1 6(1) vibrational level of the stem site showed a faster rise of the time constant of 10 ± 2 ps. Supposing equilibrium between the EXC and the local excited states, it followed that the intramolecular vibrational energy redistribution rate of the 6(1) level is largely enhanced and becomes faster than the EXC formation reaction.

The Transition from Hydrogen Bonding to Ionization in (HCI)n(NH3)n and (HCI)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Gerber, R. Benny; Janda, Kenneth C.; Kwak, Dochan (Technical Monitor)

2001-01-01

Anharmonic vibrational frequencies and intensities are calculated for 1:1 and 2:2 (HCl)(sub n)(NH3)(sub n) and (HCl)(sub n)(H2O)(sub n) complexes, employing the correlation-corrected vibrational self-consistent field method with ab initio potential surfaces at the MP2/TZP computational level. In this method, the anharmonic coupling between all vibrational modes is included, which is found to be important for the systems studied. For the 4:4 (HCl)(sub n)(H2O)(sub n) complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Just as the (HCl)(sub n)(NH3)(sub n) structure switches from hydrogen-bonded to ionic for n=2, the (HCl)(sub n)(H2O)(sub n) switches to ionic structure for n=4. For (HCl)2(H2O)2, the lowest energy structure corresponds to the hydrogen-bonded form. However, configurations of the ionic form are separated from this minimum by a barrier of less than an O-H stretching quantum. This suggests the possibility of experiments on ionization dynamics using infrared excitation of the hydrogen-bonded form. The strong cooperative effects on the hydrogen bonding, and concomitant transition to ionic bonding, makes an accurate estimate of the large anharmonicity crucial for understanding the infrared spectra of these systems. The anharmonicity is typically of the order of several hundred wave numbers for the proton stretching motions involved in hydrogen or ionic bonding, and can also be quite large for the intramolecular modes. In addition, the large cooperative effects in the 2:2 and higher order (HCl(sub n)(H2O)(sub n) complexes may have interesting implications for solvation of hydrogen halides at ice surfaces.

Design, simulation, fabrication, and characterization of MEMS vibration energy harvesters

NASA Astrophysics Data System (ADS)

Oxaal, John

Energy harvesting from ambient sources has been a longtime goal for microsystem engineers. The energy available from ambient sources is substantial and could be used to power wireless micro devices, making them fully autonomous. Self-powered wireless sensors could have many applications in for autonomous monitoring of residential, commercial, industrial, geological, or biological environments. Ambient vibrations are of particular interest for energy harvesting as they are ubiquitous and have ample kinetic energy. In this work a MEMS device for vibration energy harvesting using a variable capacitor structure is presented. The nonlinear electromechanical dynamics of a gap-closing type structure is experimentally studied. Important experimental considerations such as the importance of reducing off-axis vibration during testing, characterization methods, dust contamination, and the effect of grounding on parasitic capacitance are discussed. A comprehensive physics based model is developed and validated with two different microfabricated devices. To achieve maximal power, devices with high aspect ratio electrodes and a novel two-level stopper system are designed and fabricated. The maximum achieved power from the MEMS device when driven by sinusoidal vibrations was 3.38 muW. Vibrations from HVAC air ducts, which have a primary frequency of 65 Hz and amplitude of 155 mgrms, are targeted as the vibration source and devices are designed for maximal power harvesting potential at those conditions. Harvesting from the air ducts, the devices reached 118 nW of power. When normalized to the operating conditions, the best figure of merit of the devices tested was an order of magnitude above state-of-the-art of the devices (1.24E-6).

Risk exposure to vibration and noise in the use of agricultural track-laying tractors.

PubMed

Vallone, Mariangela; Bono, Filippa; Quendler, Elisabeth; Febo, Pierluigi; Catania, Pietro

2016-12-23

Human exposure to mechanical vibration may represent a significant risk factor for exposed workers in the agricultural sector. Also, noise in agriculture is one of the risk factors to be taken into account in the evaluation of workers' health and safety. One of the major sources of discomfort for the workers operating a tractors is the noise to which they are exposed during work. The aim of this study was to evaluate the risk of exposure to whole-body vibration for the operator driving track-laying tractors in vineyard orchard and the noise level. The experimental tests were performed with six different track-laying tractors coupled with the same rototilling machine. The results showed that the vibration values of track-laying tractors coupled to rototilling machine, referred to the 8-hour working day, were always higher than 0.5 m s -2 , the daily exposure action value established by Directive 2002/44/EC of the European Parliament. The daily noise exposure levels always exceeded the exposure limit value of 87 dB(A) established by Directive 2003/10/EC of the European Parliament. The ANOVA repeated measures model showed that the factor 'site', namely, the soil characteristics, did not influence the vibration level on the X and Y-axes of the tractors measured, regardless of their age. In the Z-axis, the vibration level was enhanced as the soil structure increased. As tractor age increased, the influence of soil characteristics was less important. In term of the age of the tractor and the number of hours worked, it was possible to identify three risk classes, which were up to 3,000 hours worked and offered a low risk; from 3,000 - 6,000 hours worked with a medium risk, and over 6,000 hours with a high risk level.

Coupling of Excitons and Discrete Acoustic Phonons in Vibrationally Isolated Quantum Emitters.

PubMed

Werschler, Florian; Hinz, Christopher; Froning, Florian; Gumbsheimer, Pascal; Haase, Johannes; Negele, Carla; de Roo, Tjaard; Mecking, Stefan; Leitenstorfer, Alfred; Seletskiy, Denis V

2016-09-14

The photoluminescence emission by mesoscopic condensed matter is ultimately dictated by the fine-structure splitting of the fundamental exciton into optically allowed and dipole-forbidden states. In epitaxially grown semiconductor quantum dots, nonradiative equilibration between the fine-structure levels is mediated by bulk acoustic phonons, resulting in asymmetric spectral broadening of the excitonic luminescence. In isolated colloidal quantum dots, spatial confinement of the vibrational motion is expected to give rise to an interplay between the quantized electronic and phononic degrees of freedom. In most cases, however, zero-dimensional colloidal nanocrystals are strongly coupled to the substrate such that the charge relaxation processes are still effectively governed by the bulk properties. Here we show that encapsulation of single colloidal CdSe/CdS nanocrystals into individual organic polymer shells allows for systematic vibrational decoupling of the semiconductor nanospheres from the surroundings. In contrast to epitaxially grown quantum dots, simultaneous quantization of both electronic and vibrational degrees of freedom results in a series of strong and narrow acoustic phonon sidebands observed in the photoluminescence. Furthermore, an individual analysis of more than 200 compound particles reveals that enhancement or suppression of the radiative properties of the fundamental exciton is controlled by the interaction between fine-structure states via the discrete vibrational modes. For the first time, pronounced resonances in the scattering rate between the fine-structure states are directly observed, in good agreement with a quantum mechanical model. The unambiguous assignment of mediating acoustic modes to the observed scattering resonances complements the experimental findings. Thus, our results form an attractive basis for future studies on subterahertz quantum opto-mechanics and efficient laser cooling at the nanoscale.

Vibration and noise characteristics of an elevated box girder paved with different track structures

NASA Astrophysics Data System (ADS)

Li, Xiaozhen; Liang, Lin; Wang, Dangxiong

2018-07-01

The vibration and noise of elevated concrete box girders (ECBGs) are now among the most concerned issues in the field of urban rail transit (URT) systems. The track structure, belonging to critical load-transfer components, directly affects the characteristics of loading transmission into bridge, as well as the noise radiation from such system, which further determines the reduction of vibration and noise in ECBGs significantly. In order to investigate the influence of different track structures on the vibration and structure-borne noise of ECBGs, a frequency-domain theoretical model of vehicle-track coupled system, taking into account the effect of multiple wheels, is firstly established in the present work. The analysis of track structures focuses on embedded sleepers, trapezoidal sleepers, and steel-spring floating slabs (SSFS). Next, a vibration and noise field test was performed, with regard to a 30 m simple supported ECBG (with the embedded-sleeper track structure) of an URT system. Based on the tested results, two numerical models, involving a finite element model for the vibration analysis, as well as a statistical energy analysis (SEA) model for the prediction of the noise radiation, are established and validated. The results of the numerical simulations and the field tests are well matched, which offers opportunities to predict the vibration and structure-borne noise of ECBGs by the proposed modelling methodology. From the comparison between the different types of track structures, the spatial distribution and reduction effect of vibration and noise are lastly studied. The force applied on ECBG is substantially determined by both the wheel-rail force (external factor) and the transmission rate of track structure (internal factor). The SSFS track is the most effective for vibration and noise reduction of ECBGs, followed in descending order by the trapezoidal-sleeper and embedded-sleeper tracks. The above result provides a theoretical basis for the vibration and noise reduction design of urban rail transit systems.

Application of a computerized vibroacoustic data bank for random vibration criteria development

NASA Technical Reports Server (NTRS)

Ferebee, R. C.

1982-01-01

A computerized data bank system was developed for utilization of large amounts of vibration and acoustic data to formulate component random vibration design and test criteria. This system consists of a computer, graphics tablets, and a dry silver hard copier which are all desk top type hardware and occupy minimal space. Currently, the data bank contains data from the Saturn 5 and Titan 3 flight and static test programs. The vibration and acoustic data are stored in the form of power spectral density and one third octave band plots over the frequency range from 20 to 2000 Hz. The data were stored by digitizing each spectral plot by tracing with the graphics tablet. The digitized data were statistically analyzed, and the resulting 97.5 percent confidence levels were stored on tape along with the appropriate structural parameters. Standard extrapolation procedures were programmed for prediction of component random vibration test criteria for new launch vehicle and payload configurations. A user's manual is included to guide potential users through the programs.

A method to identify the main mode of machine tool under operating conditions

NASA Astrophysics Data System (ADS)

Wang, Daming; Pan, Yabing

2017-04-01

The identification of the modal parameters under experimental conditions is the most common procedure when solving the problem of machine tool structure vibration. However, the influence of each mode on the machine tool vibration in real working conditions remains unknown. In fact, the contributions each mode makes to the machine tool vibration during machining process are different. In this article, an active excitation modal analysis is applied to identify the modal parameters in operational condition, and the Operating Deflection Shapes (ODS) in frequencies of high level vibration that affect the quality of machining in real working conditions are obtained. Then, the ODS is decomposed by the mode shapes which are identified in operational conditions. So, the contributions each mode makes to machine tool vibration during machining process are got by decomposition coefficients. From the previous steps, we can find out the main modes which effect the machine tool more significantly in working conditions. This method was also verified to be effective by experiments.

Vibration analysis of the Second Saikai Bridge—a concrete filled tubular (CFT) arch bridge

NASA Astrophysics Data System (ADS)

Yoshimura, Mistuhiro; Wu, Qingxiong; Takahashi, Kazuo; Nakamura, Shozo; Furukawa, Kazuyoshi

2006-02-01

Concrete-filled steel tubular (CFT) arch bridges have been rapidly developing in China since 1990. Research has focused on the static behavior, thermal stress and erection technique, however, and there has been very little research of natural vibrations and dynamic responses of these bridges. Japan's first CFT arch bridge in highway bridges, the Second Saikai Bridge, is now under construction in Nagasaki Prefecture. Furthermore, this bridge has a pedestrian bridge that is suspended under the girder, which is rare. Therefore, the natural vibration properties are examined, and the influence of pedestrian bridge structure on the natural vibration of main bridge is discussed first. Response analysis under a moving vehicle and pedestrian is carried out, and the response characteristics and response level are clarified. The natural vibrations and responses are compared to those of CFT arch bridges that have been constructed in China. Results show the fine performance of both main bridge and pedestrian bridge of the Second Saikai Bridge.

Asymptotic modal analysis and statistical energy analysis

NASA Technical Reports Server (NTRS)

Dowell, Earl H.

1988-01-01

Statistical Energy Analysis (SEA) is defined by considering the asymptotic limit of Classical Modal Analysis, an approach called Asymptotic Modal Analysis (AMA). The general approach is described for both structural and acoustical systems. The theoretical foundation is presented for structural systems, and experimental verification is presented for a structural plate responding to a random force. Work accomplished subsequent to the grant initiation focusses on the acoustic response of an interior cavity (i.e., an aircraft or spacecraft fuselage) with a portion of the wall vibrating in a large number of structural modes. First results were presented at the ASME Winter Annual Meeting in December, 1987, and accepted for publication in the Journal of Vibration, Acoustics, Stress and Reliability in Design. It is shown that asymptotically as the number of acoustic modes excited becomes large, the pressure level in the cavity becomes uniform except at the cavity boundaries. However, the mean square pressure at the cavity corner, edge and wall is, respectively, 8, 4, and 2 times the value in the cavity interior. Also it is shown that when the portion of the wall which is vibrating is near a cavity corner or edge, the response is significantly higher.

The structure of the NO(X (2)Pi)-N(2) complex: A joint experimental-theoretical study.

PubMed

Wen, B; Meyer, H; Kłos, J

2010-04-21

We report the first measurement of the spectrum of the NO-N(2) complex in the region of the first vibrational NO overtone transition. The origin band of the complex is blueshifted by 0.30 cm(-1) from the corresponding NO monomer frequency. The observed spectrum consists of three bands assigned to the origin band, the excitation of one quantum of z-axis rotation and one associated hot band. The spacing of the bands and the rotational structure indicate a T-shaped vibrationally averaged structure with the NO molecule forming the top of the T. These findings are confirmed by high level ab initio calculations of the potential energy surfaces in planar symmetry. The deepest minimum is found for a T-shaped geometry on the A(")-surface. As a result the sum potential also has the global minimum for this structure. The different potential surfaces show several additional local minima at slightly higher energies indicating that the complex most likely will perform large amplitude motion even in its ground vibrational state. Nevertheless, as suggested by the measured spectra, the complex must, on average, spend a substantial amount of time near the T-shaped configuration.

Rhythmic crowd bobbing on a grandstand simulator

NASA Astrophysics Data System (ADS)

Comer, A. J.; Blakeborough, A.; Williams, M. S.

2013-01-01

It is widely accepted that concerted human activity such as bouncing or bobbing can excite cantilever grandstands. Crowd coordination can be unwitting and may be exacerbated by structural motion caused by resonant structural response. This is an area of uncertainty in the design and analysis of modern grandstands. This paper presents experimental measurement and analysis of rhythmic crowd bobbing loads obtained from tests on a grandstand simulator with two distinct support conditions; (a) rigid, and; (b) flexible. It was found that significant structural vibration at the bobbing frequency did not increase the effective bobbing load. Structural motion at the bobbing frequency caused a reduction in the dynamic load factor (DLF) at the frequency of the second harmonic while those at the first and third harmonics were unaffected. Two plausible reasons for this are: (a) the bobbing group were unable to supply significant energy to the system at the frequency of the second harmonic; (b) the bobbing group altered their bobbing style to reduce the response of the grandstand simulator. It was deduced that the bobbing group did not absorb energy from the dynamic system. Furthermore, dynamic load factors for groups of test subjects bobbing on a rigid structure were typically greater than those of synthesised groups derived from individuals bobbing alone, possibly due to group effects such as audio and visual stimuli from neighbouring test subjects. Last, the vibration levels experienced by the test subjects appear to be below levels likely to cause discomfort. This is to be expected as the test subjects were themselves controlling the magnitude and duration of vibration for the bobbing tests considered.

Zn-metalloprotease sequences in extremophiles

NASA Astrophysics Data System (ADS)

Holden, T.; Dehipawala, S.; Golebiewska, U.; Cheung, E.; Tremberger, G., Jr.; Williams, E.; Schneider, P.; Gadura, N.; Lieberman, D.; Cheung, T.

2010-09-01

The Zn-metalloprotease family contains conserved amino acid structures such that the nucleotide fluctuation at the DNA level would exhibit correlated randomness as described by fractal dimension. A nucleotide sequence fractal dimension can be calculated from a numerical series consisting of the atomic numbers of each nucleotide. The structure's vibration modes can also be studied using a Gaussian Network Model. The vibration measure and fractal dimension values form a two-dimensional plot with a standard vector metric that can be used for comparison of structures. The preference for amino acid usage in extremophiles may suppress nucleotide fluctuations that could be analyzed in terms of fractal dimension and Shannon entropy. A protein level cold adaptation study of the thermolysin Zn-metalloprotease family using molecular dynamics simulation was reported recently and our results show that the associated nucleotide fluctuation suppression is consistent with a regression pattern generated from the sequences's fractal dimension and entropy values (R-square { 0.98, N =5). It was observed that cold adaptation selected for high entropy and low fractal dimension values. Extension to the Archaemetzincin M54 family in extremophiles reveals a similar regression pattern (R-square = 0.98, N = 6). It was observed that the metalloprotease sequences of extremely halophilic organisms possess high fractal dimension and low entropy values as compared with non-halophiles. The zinc atom is usually bonded to the histidine residue, which shows limited levels of vibration in the Gaussian Network Model. The variability of the fractal dimension and entropy for a given protein structure suggests that extremophiles would have evolved after mesophiles, consistent with the bias usage of non-prebiotic amino acids by extremophiles. It may be argued that extremophiles have the capacity to offer extinction protection during drastic changes in astrobiological environments.

49 CFR Appendix C to Part 173 - Procedure for Base-level Vibration Testing

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 2 2013-10-01 2013-10-01 false Procedure for Base-level Vibration Testing C Appendix C to Part 173 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS... Base-level Vibration Testing Base-level vibration testing shall be conducted as follows: 1. Three...

49 CFR Appendix C to Part 173 - Procedure for Base-level Vibration Testing

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 2 2010-10-01 2010-10-01 false Procedure for Base-level Vibration Testing C Appendix C to Part 173 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS... Base-level Vibration Testing Base-level vibration testing shall be conducted as follows: 1. Three...

Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine

NASA Astrophysics Data System (ADS)

Subhapriya, G.; Kalyanaraman, S.; Jeyachandran, M.; Ragavendran, V.; Krishnakumar, V.

2018-04-01

Synthesized 4-nitro-N-(2,4-dinitrophenyl) benzenamine (NDPBA) molecule was confirmed applying the tool of NMR. Theoretical prediction addressed the NMR chemical shifts and correlated well with the experimental data. The molecule subjected to theoretical DFT at 6-311++G** level unraveled the spectroscopic and structural properties of the NDPBA molecule. Moreover the structural features proved the occurrence of intramolecular Nsbnd H· · O hydrogen bonding in the molecule which was further confirmed with the help of Frontier molecular orbital analysis. Vibrational spectroscopic characterization through FT-IR and Raman experimentally and theoretically gave an account for the vibrational properties. An illustration of the topology of the molecule theoretically helped also in finding the hydrogen bonding energy.

Air injection test on a Kaplan turbine: prototype - model comparison

NASA Astrophysics Data System (ADS)

Angulo, M.; Rivetti, A.; Díaz, L.; Liscia, S.

2016-11-01

Air injection is a very well-known resource to reduce pressure pulsation magnitude in turbines, especially on Francis type. In the case of large Kaplan designs, even when not so usual, it could be a solution to mitigate vibrations arising when tip vortex cavitation phenomenon becomes erosive and induces structural vibrations. In order to study this alternative, aeration tests were performed on a Kaplan turbine at model and prototype scales. The research was focused on efficiency of different air flow rates injected in reducing vibrations, especially at the draft tube and the discharge ring and also in the efficiency drop magnitude. It was found that results on both scales presents the same trend in particular for vibration levels at the discharge ring. The efficiency drop was overestimated on model tests while on prototype were less than 0.2 % for all power output. On prototype, air has a beneficial effect in reducing pressure fluctuations up to 0.2 ‰ of air flow rate. On model high speed image computing helped to quantify the volume of tip vortex cavitation that is strongly correlated with the vibration level. The hydrophone measurements did not capture the cavitation intensity when air is injected, however on prototype, it was detected by a sonometer installed at the draft tube access gallery.

Structure and spectral features of H+(H2O)7: Eigen versus Zundel forms.

PubMed

Shin, Ilgyou; Park, Mina; Min, Seung Kyu; Lee, Eun Cheol; Suh, Seung Bum; Kim, Kwang S

2006-12-21

The two dimensional (2D) to three dimensional (3D) transition for the protonated water cluster has been controversial, in particular, for H(+)(H(2)O)(7). For H(+)(H(2)O)(7) the 3D structure is predicted to be lower in energy than the 2D structure at most levels of theory without zero-point energy (ZPE) correction. On the other hand, with ZPE correction it is predicted to be either 2D or 3D depending on the calculational levels. Although the ZPE correction favors the 3D structure at the level of coupled cluster theory with singles, doubles, and perturbative triples excitations [CCSD(T)] using the aug-cc-pVDZ basis set, the result based on the anharmonic zero-point vibrational energy correction favors the 2D structure. Therefore, the authors investigated the energies based on the complete basis set limit scheme (which we devised in an unbiased way) at the resolution of the identity approximation Moller-Plesset second order perturbation theory and CCSD(T) levels, and found that the 2D structure has the lowest energy for H(+)(H(2)O)(7) [though nearly isoenergetic to the 3D structure for D(+)(D(2)O)(7)]. This structure has the Zundel-type configuration, but it shows the quantum probabilistic distribution including some of the Eigen-type configuration. The vibrational spectra of MP2/aug-cc-pVDZ calculations and Car-Parrinello molecular dynamics simulations, taking into account the thermal and dynamic effects, show that the 2D Zundel-type form is in good agreement with experiments.

Structure and spectral features of H+(H2O)7: Eigen versus Zundel forms

NASA Astrophysics Data System (ADS)

Shin, Ilgyou; Park, Mina; Min, Seung Kyu; Lee, Eun Cheol; Suh, Seung Bum; Kim, Kwang S.

2006-12-01

The two dimensional (2D) to three dimensional (3D) transition for the protonated water cluster has been controversial, in particular, for H+(H2O)7. For H+(H2O)7 the 3D structure is predicted to be lower in energy than the 2D structure at most levels of theory without zero-point energy (ZPE) correction. On the other hand, with ZPE correction it is predicted to be either 2D or 3D depending on the calculational levels. Although the ZPE correction favors the 3D structure at the level of coupled cluster theory with singles, doubles, and perturbative triples excitations [CCSD(T)] using the aug-cc-pVDZ basis set, the result based on the anharmonic zero-point vibrational energy correction favors the 2D structure. Therefore, the authors investigated the energies based on the complete basis set limit scheme (which we devised in an unbiased way) at the resolution of the identity approximation Møller-Plesset second order perturbation theory and CCSD(T) levels, and found that the 2D structure has the lowest energy for H+(H2O)7 [though nearly isoenergetic to the 3D structure for D+(D2O)7]. This structure has the Zundel-type configuration, but it shows the quantum probabilistic distribution including some of the Eigen-type configuration. The vibrational spectra of MP2/aug-cc-pVDZ calculations and Car-Parrinello molecular dynamics simulations, taking into account the thermal and dynamic effects, show that the 2D Zundel-type form is in good agreement with experiments.

High-Data-Rate Quadrax Cable Microwave Characterization at the NASA Glenn Structural Dynamics Laboratory

NASA Technical Reports Server (NTRS)

Theofylaktos, Onoufrios; Warner, Joseph D.; Sheehe, Charles J.

2012-01-01

An experiment was performed to determine the degradation in the bit-error-rate (BER) in the high-data-rate cables chosen for the Orion Service Module due to extreme launch conditions of vibrations with a magnitude of 60g. The cable type chosen for the Orion Service Module was no. 8 quadrax cable. The increase in electrical noise induced on these no. 8 quadrax cables was measured at the NASA Glenn vibration facility in the Structural Dynamics Laboratory. The intensity of the vibrations was set at 32g, which was the maximum available level at the facility. The cable lengths used during measurements were 1, 4, and 8 m. The noise measurements were done in an analog fashion using a performance network analyzer (PNA) by recording the standard deviation of the transmission scattering parameter S(sub 21) over the frequency range of 100 to 900 MHz. The standard deviation of S(sub 210 was measured before, during, and after the vibration of the cables at the vibration facility. We observed an increase in noise by a factor of 2 to 6. From these measurements we estimated the increase expected in the BER for a cable length of 25 m and concluded that these findings are large enough that the noise increase due to vibration must be taken in to account for the design of the communication system for a BER of 10(exp -8).

Postural stability effects of random vibration at the feet of construction workers in simulated elevation.

PubMed

Simeonov, P; Hsiao, H; Powers, J; Ammons, D; Kau, T; Amendola, A

2011-07-01

The risk of falls from height on a construction site increases under conditions which degrade workers' postural control. At elevation, workers depend heavily on sensory information from their feet to maintain balance. The study tested two hypotheses: "sensory enhancement"--sub-sensory (undetectable) random mechanical vibrations at the plantar surface of the feet can improve worker's balance at elevation; and "sensory suppression"--supra-sensory (detectable) random mechanical vibrations can have a degrading effect on balance in the same experimental settings. Six young (age 20-35) and six aging (age 45-60) construction workers were tested while standing in standard and semi-tandem postures on instrumented gel insoles. The insoles applied sub- or supra-sensory levels of random mechanical vibrations to the feet. The tests were conducted in a surround-screen virtual reality system, which simulated a narrow plank at elevation on a construction site. Upper body kinematics was assessed with a motion-measurement system. Postural stability effects were evaluated by conventional and statistical mechanics sway measures, as well as trunk angular displacement parameters. Analysis of variance did not confirm the "sensory enhancement" hypothesis, but provided evidence for the "sensory suppression" hypothesis. The supra-sensory vibration had a destabilizing effect, which was considerably stronger in the semi-tandem posture and affected most of the sway variables. Sensory suppression associated with elevated vibration levels on a construction site may increase the danger of losing balance. Construction workers at elevation, e.g., on a beam or narrow plank might be at increased risk of fall if they can detect vibrations under their feet. To reduce the possibility of losing balance, mechanical vibration to supporting structures used as walking/working surfaces should be minimized when performing construction tasks at elevation. Published by Elsevier Ltd.

Synthesis, crystal structure investigation, spectroscopic characterizations and DFT computations on a novel 1-(2-chloro-4-phenylquinolin-3-yl)ethanone

NASA Astrophysics Data System (ADS)

Murugavel, S.; Stephen, C. S. Jacob Prasanna; Subashini, R.; Reddy, H. Raveendranatha; AnanthaKrishnan, Dhanabalan

2016-10-01

The title compound 1-(2-chloro-4-phenylquinolin-3-yl)ethanone (CPQE) was synthesised effectively by chlorination of 3-acetyl-4-phenylquinolin-2(1H)-one (APQ) using POCl3 reagent. Structural and vibrational spectroscopic studies were performed by utilizing single crystal X-ray diffraction, FTIR and NMR spectral analysis along with DFT method utilizing GAUSSIAN‧ 03 software. Veda program has been employed to perform a detailed interpretation of vibrational spectra. Mulliken population analyses on atomic charges, MEP, HOMO-LUMO, NBO, Global chemical reactivity descriptors and thermodynamic properties have been examined by (DFT/B3LYP) method with the 6-311G(d,p) basis set level.

Safranin-O dye in the ground state. A study by density functional theory, Raman, SERS and infrared spectroscopy.

PubMed

Lofrumento, C; Arci, F; Carlesi, S; Ricci, M; Castellucci, E; Becucci, M

2015-02-25

The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311+G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles. Copyright © 2014 Elsevier B.V. All rights reserved.

Structure, stability, thermodynamic properties, and infrared spectra of the protonated water octamer H(+)(H2O)8.

PubMed

Karthikeyan, S; Park, Mina; Shin, Ilgyou; Kim, Kwang S

2008-10-16

We investigated various two-dimensional (2D) and three-dimensional (3D) structures of H (+)(H 2O) 8, using density functional theory (DFT), Moller-Plesset second-order perturbation theory (MP2), and coupled cluster theory with single, double, and perturbative triple excitations (CCSD(T)). The 3D structure is more stable than the 2D structure at all levels of theory on the Born-Oppenheimer surface. With the zero-point energy (ZPE) correction, the predicted structure varies depending on the level of theory. The DFT employing Becke's three parameters with Lee-Yang-Parr functionals (B3LYP) favors the 2D structure. At the complete basis set (CBS) limit, the MP2 calculation favors the 3D structure by 0.29 kcal/mol, and the CCSD(T) calculation favors the 3D structure by 0.27 kcal/mol. It is thus expected that both 2D and 3D structures are nearly isoenergetic near 0 K. At 100 K, all the calculations show that the 2D structure is much more stable in free binding energy than the 3D structure. The DFT and MP2 vibrational spectra of the 2D structure are consistent with the experimental spectra. First-principles Car-Parrinello molecular dynamics (CPMD) simulations show that the 2D Zundel-type vibrational spectra are in good agreement with the experiment.

Vibration Modal Characterization of a Stirling Convertor via Base-Shake Excitation

NASA Technical Reports Server (NTRS)

Suarez, Vicente J.; Goodnight, Thomas W.; Hughes, William O.; Samorezov, Sergey

2003-01-01

The U.S. Department of Energy (DOE), Lockheed Martin (LM), Stirling Technology Company (STC), and NASA John H. Glenn Research Center (GRC) are currently developing a high-efficiency Stirling convertor for use in a Stirling Radioisotope Generator (SRG). NASA and DOE have identified the SRG for potential use as an advanced power system for future NASA Space Science missions, providing spacecraft onboard electric power for deep space missions and power for unmanned Mars rovers. Low-level, baseshake sine vibration tests were conducted on the Stirling Technology Demonstration Convertor (TDC), at NASA GRC's Structural Dynamics Laboratory, in February 2001, as part of the development of this Stirling technology. The purpose of these tests was to provide a better understanding of the TDC's internal dynamic response to external vibratory base excitations. The knowledge obtained can therein be used to help explain the success that the TDC enjoyed in its previous random vibration qualification tests (December 1999). This explanation focuses on the TDC s internal dynamic characteristics in the 50 to 250 Hz frequency range, which corresponds to the maximum input levels of its qualification random vibration test specification. The internal dynamic structural characteristics of the TDC have now been measured in two separate tests under different motoring and dynamic loading conditions: (1) with the convertor being electrically motored, under a vibratory base-shake excitation load, and (2) with the convertor turned off, and its alternator internals undergoing dynamic excitation via hammer impact loading. This paper addresses the test setup, procedure and results of the base-shake vibration testing conducted on the motored TDC, and will compare these results with those results obtained from the dynamic impact tests (May 2001) on the nonmotored TDC.

An SMS (single mode - multi mode - single mode) fiber structure for vibration sensing

NASA Astrophysics Data System (ADS)

Waluyo, T. B.; Bayuwati, D.

2017-04-01

We describe an SMS (single mode - multi mode - single mode) fiber structure to be used in a vibration sensing system. The fiber structure was fabricated by splicing a section (about 300 mm in length) of a step index multi mode fiber between two single mode fibers obtained from a communication grade fiber patchcord. Interference between higher order modes occurs while light from a narrow band light source travels along the multi mode fiber. When the multi mode fiber vibrates, the refractive index profile is changed because of the photo-elastics effect and the amplitude of the interference pattern is changed accordingly. To simulate a vibrating structure we used a loudspeaker to vibrate a wooden table. By using a digital oscilloscope, we recorded and analysed the vibrating signals obtained from the SMS fiber structure as well as from a GS-32CT geophone for referencing. We observed that this SMS fiber structure was potential to be used in a vibration sensing system with a measurement range from 30 to 180 Hz with inherent optical fiber sensor advantages such as light weight, immune to electromagnetic interference, and no electricity in the sensing part.

Full dimensional Franck-Condon factors for the acetylene ˜{A} 1Au—{˜{X}} {^1Σ _g^+} transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes

NASA Astrophysics Data System (ADS)

Park, G. Barratt; Baraban, Joshua H.; Field, Robert W.

2014-10-01

A full-dimensional Franck-Condon calculation has been applied to the tilde{A} 1Au—tilde{X} ^1Σ _g^+ transition in acetylene in the harmonic normal mode basis. Details of the calculation are discussed in Part I of this series. To our knowledge, this is the first full-dimensional Franck-Condon calculation on a tetra-atomic molecule undergoing a linear-to-bent geometry change. In the current work, the vibrational intensity factors for levels involving excitation in ungerade vibrational modes are evaluated. Because the Franck-Condon integral accumulates away from the linear geometry, we have been able to treat the out-of-plane component of trans bend (ν _4^' ' }) in the linear tilde{X} state in the rotational part of the problem, restoring the χ Euler angle and the a-axis Eckart conditions. A consequence of the Eckart conditions is that the out-of-plane component of ν _4^' ' } does not participate in the vibrational overlap integral. This affects the structure of the coordinate transformation and the symmetry of the vibrational wavefunctions used in the overlap integral, and results in propensity rules involving the bending modes of the tilde{X} state that were not previously understood. We explain the origin of some of the unexpected propensities observed in IR-UV laser-induced fluorescence spectra, and we calculate emission intensities from bending levels of the tilde{A} state into bending levels of the tilde{X} state, using normal bending mode and local bending mode basis sets. Our calculations also reveal Franck-Condon propensities for the Cartesian components of the cis bend (ν _5^' ' }), and we predict that the best tilde{A}-state vibrational levels for populating tilde{X}-state levels with large amplitude bending motion localized in a single C-H bond (the acetylene↔vinylidene isomerization coordinate) involve a high degree of excitation in ν _6^' } (cis-bend). Mode ν _4^' } (torsion) populates levels with large amplitude counter-rotational motion of the two hydrogen atoms.

Floor vibration evaluations for medical facilities

NASA Astrophysics Data System (ADS)

Himmel, Chad N.

2003-10-01

The structural floor design for new medical facilities is often selected early in the design phase and in renovation projects, the floor structure already exists. Because the floor structure can often have an influence on the location of vibration sensitive medical equipment and facilities, it is becoming necessary to identify the best locations for equipment and facilities early in the design process. Even though specific criteria for vibration-sensitive uses and equipment may not always be available early in the design phase, it should be possible to determine compatible floor structures for planned vibration-sensitive uses by comparing conceptual layouts with generic floor vibration criteria. Relatively simple evaluations of planned uses and generic criteria, combined with on-site vibration and noise measurements early in design phase, can significantly reduce future design problems and expense. Concepts of evaluation procedures and analyses will be presented in this paper. Generic floor vibration criteria and appropriate parameters to control resonant floor vibration and noise will be discussed for typical medical facilities and medical research facilities. Physical, economic, and logistical limitations that affect implementation will be discussed through case studies.

Influence of vibration on structure rheological properties of a highly concentrated suspension

NASA Astrophysics Data System (ADS)

Ouriev Uriev, Boris N.; Uriev, Naum B.

2005-08-01

The influence of mechanical vibration on the flow properties of a highly concentrated multiphase food system is explored in this work. An experimental set-up was designed and adapted to a conventional rotational rheometer with precise rheological characterization capability. A number of calibration tests were performed prior to fundamental experiments with a highly concentrated chocolate suspension. Also, the prediction of wall slippage in shear flow under vibration was evaluated. Analysis of the boundary conditions shows that no side effects such as wall slippage or the Taylor effect were present during the shear experiment under vibration. It was found that superposition of mechanical vibration and shear flow radically decreases the shear viscosity. Comparison between reference shear viscosities at specified shear rates and those measured under vibration shows considerable differences in flow properties. Conversion of the behaviour of the concentrated suspension from strongly shear-thinning to Newtonian flow is reported. Also, the appearance of vibration-induced dilatancy as a new phenomenon is described. It is suggested to relate such phenomena to the non-equilibrium between structure formation and disintegration under vibration and hydrodynamic forces of shear flow. The influence of vibration on structure formation can be well observed during measurement of the yield value of the chocolate suspension under vibration. Comparison with reference data shows how sensitive the structure of the concentrated suspension is to vibration in general. The effects and observations revealed provide a solid basis for further fundamental investigations of structure formation regularities in the flow of any highly concentrated system. The results also show the technological potential for non-conventional treatment of concentrated, multiphase systems.

Prediction of vibrations induced by underground railway traffic in Beijing

NASA Astrophysics Data System (ADS)

Gupta, S.; Liu, W. F.; Degrande, G.; Lombaert, G.; Liu, W. N.

2008-02-01

This paper examines the problem of subway induced vibrations on line 4 of Beijing metro, which is currently under construction and is planned to pass in close proximity of the Physics Laboratory of Beijing University. The laboratory has a lot of equipment that is very sensitive to traffic induced vibrations and future operation of metro line 4 is a matter of concern. Hence, it is important to study the influence of subway induced vibrations inside the laboratory and to propose a viable solution to mitigate the vibrations. In this paper, the tunnel north of Chengfulu station is modelled using a coupled periodic FE-BE model and the free-field response due to moving trains is predicted. In addition, vibration measurements have been performed on the site of the Physics Laboratory to estimate the existing vibration levels due to road traffic. The predicted and measured vibrations are superimposed to assess the vibrations due to the combined effect of road and railway traffic in the vicinity of the Physics Laboratory. Apart from the numerical investigations, vibration measurements have also been performed on a similar site at line 1 of Beijing metro to substantiate the estimated results on metro line 4. Finally, it is studied how the vibrations can be controlled using a floating slab track, which is widely used as an effective measure of vibration isolation in tunnels. The efficiency of a 7.9 Hz floating slab track as a vibration countermeasure is assessed in this paper. This study demonstrates the applicability of the numerical model for the relevant assessment of subway induced vibrations and its use to study the performance of different track structures in the tunnel.

Method and apparatus for determining material structural integrity

DOEpatents

Pechersky, M.J.

1994-01-01

Disclosed are a nondestructive method and apparatus for determining the structural integrity of materials by combining laser vibrometry with damping analysis to determine the damping loss factor. The method comprises the steps of vibrating the area being tested over a known frequency range and measuring vibrational force and velocity vs time over the known frequency range. Vibrational velocity is preferably measured by a laser vibrometer. Measurement of the vibrational force depends on the vibration method: if an electromagnetic coil is used to vibrate a magnet secured to the area being tested, then the vibrational force is determined by the coil current. If a reciprocating transducer is used, the vibrational force is determined by a force gauge in the transducer. Using vibrational analysis, a plot of the drive point mobility of the material over the preselected frequency range is generated from the vibrational force and velocity data. Damping loss factor is derived from a plot of the drive point mobility over the preselected frequency range using the resonance dwell method and compared with a reference damping loss factor for structural integrity evaluation.

Amplified Pilot Head Vibration and the Effects of Vibration Mitigation on Neck Muscle Strain.

PubMed

Wright Beatty, Heather E; Law, Andrew J; Thomas, J Russell; Wickramasinghe, Viresh

2018-06-01

Rotary wing pilot neck strain is increasing in prevalence due to the combined effects of head supported mass (e.g., Night Vision Goggles, head mounted displays) and whole-body vibration. This study examined the physiological responses of pilots during exposure to whole-body vibration (WBV) representative of the National Research Council's Bell 412 helicopter in forward flight. WBV levels were measured and evaluated using the ISO-2631-1-1997 WBV standards. Twelve pilots (aged 20-59 yr, 7 of the 12 with 20+ years flight experience) underwent six 15-min vibration trials on a human rated shaker platform. Participants were exposed to three vibration levels (-25%, normal, and +25% amplitude; Levels 1-3, respectively) while seated on an Original Equipment Manufacturer (OEM) or vibration mitigating (MIT) cushion. Upper back and neck electromyography (EMG) and acceleration were continuously recorded. Normalized EMG amplitude was higher using the OEM compared to the MIT during Level 2 (0.18 vs. -0.27) and Level 3 (0.24 vs. -0.14) for the anterior neck muscles. Health weighted vibration amplitude at the head (Mean of 3 levels: OEM = 1.19 and MIT = 1.11 m · s-2) was larger than the vibration amplitude at the seat (Mean of 3 levels: OEM = 0.77 and MIT = 0.70 m · s-2). The amplification of head vibration relative to the seat, and the significant effects of vibration level, as well as the vibration mitigation cushion, on neck EMG amplitude support the need for revisions to the ISO-2631-1 standard to account for the head and neck response to whole-body vibration.Wright Beatty HE, Law AJ, Thomas JR, Wickramasinghe V. Amplified pilot head vibration and the effects of vibration mitigation on neck muscle strain. Aerosp Med Hum Perform. 2018; 89(6):510-519.

Towards Accurate Ab Initio Predictions of the Spectrum of Methane

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Kwak, Dochan (Technical Monitor)

2001-01-01

We have carried out extensive ab initio calculations of the electronic structure of methane, and these results are used to compute vibrational energy levels. We include basis set extrapolations, core-valence correlation, relativistic effects, and Born- Oppenheimer breakdown terms in our calculations. Our ab initio predictions of the lowest lying levels are superb.

Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules

NASA Astrophysics Data System (ADS)

Costa, Renyer A.; Oliveira, Kelson M. T.; Costa, Emmanoel Vilaça; Pinheiro, Maria L. B.

2017-10-01

A combined experimental and theoretical DFT study of the structural, vibrational and electronic properties of strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline is presented using the Becke three-parameter Lee-Yang-Parr function (B3LYP) and 6-311G(2d,p) basis set. The theoretical geometry optimization data were compared with the X-ray data for a similar structure in the associated literature, showing close values. The calculated HOMO-LUMO gap values showed that the presence of substituents in the benzene ring influences the quantum properties which are directly related to the reactive properties. Theoretical UV spectra agreed well with the measured experimental data, with bands assigned. In addition, Natural Bond Orbitals (NBOs), Mapped molecular electrostatic potential surface (MEPS) and NLO calculations were also performed at the same theory level. The theoretical vibrational analysis revealed several characteristic vibrations that may be used as a diagnostic tool for other strychnobrasiline type alkaloids, simplifying their identification and structural characterization. Molecular docking calculations with DNA Topoisomerase II-DNA complex showed binding free energies values of -8.0 and -9.5 kcal/mol for strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline respectively, while for amsacrine, used for the treatment of leukemia, the binding free energy ΔG presented a value of -10.0 kcal/mol, suggesting that strychnobrasiline derivative alkaloids might exhibit an antineoplastic activity.

Neuro-fuzzy computing for vibration-based damage localization and severity estimation in an experimental wind turbine blade with superimposed operational effects

NASA Astrophysics Data System (ADS)

Hoell, Simon; Omenzetter, Piotr

2016-04-01

Fueled by increasing demand for carbon neutral energy, erections of ever larger wind turbines (WTs), with WT blades (WTBs) with higher flexibilities and lower buckling capacities lead to increasing operation and maintenance costs. This can be counteracted with efficient structural health monitoring (SHM), which allows scheduling maintenance actions according to the structural state and preventing dramatic failures. The present study proposes a novel multi-step approach for vibration-based structural damage localization and severity estimation for application in operating WTs. First, partial autocorrelation coefficients (PACCs) are estimated from vibrational responses. Second, principal component analysis is applied to PACCs from the healthy structure in order to calculate scores. Then, the scores are ranked with respect to their ability to differentiate different damage scenarios. This ranking information is used for constructing hierarchical adaptive neuro-fuzzy inference systems (HANFISs), where cross-validation is used to identify optimal numbers of hierarchy levels. Different HANFISs are created for the purposes of structural damage localization and severity estimation. For demonstrating the applicability of the approach, experimental data are superimposed with signals from numerical simulations to account for characteristics of operational noise. For the physical experiments, a small scale WTB is excited with a domestic fan and damage scenarios are introduced non-destructively by attaching small masses. Numerical simulations are also performed for a representative fully functional small WT operating in turbulent wind. The obtained results are promising for future applications of vibration-based SHM to facilitate improved safety and reliability of WTs at lower costs.

Energy Finite Element Analysis Developments for Vibration Analysis of Composite Aircraft Structures

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas; Schiller, Noah H.

2011-01-01

The Energy Finite Element Analysis (EFEA) has been utilized successfully for modeling complex structural-acoustic systems with isotropic structural material properties. In this paper, a formulation for modeling structures made out of composite materials is presented. An approach based on spectral finite element analysis is utilized first for developing the equivalent material properties for the composite material. These equivalent properties are employed in the EFEA governing differential equations for representing the composite materials and deriving the element level matrices. The power transmission characteristics at connections between members made out of non-isotropic composite material are considered for deriving suitable power transmission coefficients at junctions of interconnected members. These coefficients are utilized for computing the joint matrix that is needed to assemble the global system of EFEA equations. The global system of EFEA equations is solved numerically and the vibration levels within the entire system can be computed. The new EFEA formulation for modeling composite laminate structures is validated through comparison to test data collected from a representative composite aircraft fuselage that is made out of a composite outer shell and composite frames and stiffeners. NASA Langley constructed the composite cylinder and conducted the test measurements utilized in this work.

Vibrational and rotational energy transfers involving the CH B 2Σ- v=1 vibrational level in collisions with Ar, CO, and N2O

NASA Astrophysics Data System (ADS)

Huang, Hong-Yi; Tsai, Ming-Tsang; Lin, King-Chuen

2006-04-01

With photolysis-probe technique, we have studied vibrational and rotational energy transfers of CH involving the B Σ-2 (v =1, 0⩽N⩽6, F) state by collisions with Ar, CO, and N2O. For the vibrational energy transfer (VET) measurements, the time-resolved fluorescence of the B-X(0,0) band is monitored following the (1,0) band excitation. For the rotational energy transfer (RET) measurements, the laser-induced fluorescence of the initially populated state is dispersed using a step-scan Fourier transform spectrometer. The time-resolved spectra obtained in the nanosecond regime may yield the RET information under a single pressure of the collider. The rate constants of intramolecular energy transfers are evaluated with simulation of kinetic models. The VET lies in the range of 4×10-12to4×10-11cm3molecule-1s-1, with efficiency following the order of Ar

Synthesis, electronic structure investigation of 3-pentyl-2,6-di(furan-2-yl)piperidin-4-one by FT-IR, FT-Raman and UV-Visible spectral studies and ab initio/DFT calculations.

PubMed

Arockia Doss, M; Savithiri, S; Rajarajan, G; Thanikachalam, V; Anbuselvan, C

2015-12-05

FT-IR and FT-Raman spectra of 3-pentyl-2,6-di(furan-2-yl) piperidin-4-one (3-PFPO) were recorded in the solid phase. The structural and spectroscopic analyses of 3-PFPO were made by using B3LYP/HF level with 6-311++G(d, p) basis set. The fundamental vibrations are assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Comparison of the observed fundamental vibrational frequencies of 3-PFPO with calculated results by HF and DFT methods indicates that B3LYP is superior to HF method for molecular vibrational problems. The electronic properties such as excitation energies, oscillator strength, wavelengths and HOMO-LUMO energies were obtained by time-dependent DFT (TD-DFT) approach. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The hyperconjugative interaction energy (E((2))) and electron densities of donor (i) and acceptor (j) bonds were calculated using NBO analysis. In addition, MEP and atomic charges of carbon, nitrogen, oxygen and hydrogen were calculated using B3LYP/6-311++G(d, p) level theory. Moreover, thermodynamic properties (heat capacities, entropy and enthalpy) of the title compound at different temperatures were calculated in gas phase. Copyright © 2015 Elsevier B.V. All rights reserved.

High Cycle Fatigue Prediction for Mistuned Bladed Disks with Fully Coupled Fluid-Structural Interaction

DTIC Science & Technology

2006-06-01

response (time domain) structural vibration model for mistuned rotor bladed disk based on the efficient SNM model has been developed. The vi- bration...airfoil and 3D wing, unsteady vortex shedding of a stationary cylinder, induced vibration of a cylinder, forced vibration of a pitching airfoil, induced... vibration and flutter boundary of 2D NACA 64A010 transonic airfoil, 3D plate wing structural response. The predicted results agree well with benchmark

Experiments in Sound and Structural Vibrations Using an Air-Analog Model Ducted Propulsion System

DTIC Science & Technology

2007-08-01

Department of Aerospace S~and Mechanical Engineering I 20070904056 I EXPERIMENTS IN SOUND AND STRUCTURAL VIBRATIONS USING AN AIR -ANALOG MODEL DUCTED...SOUND AND STRUCTURAL * VIBRATIONS USING AN AIR -ANALOG MODEL DUCTED PROPULSION SYSTEM FINAL TECHNICAL REPORT Prepared by: Scott C. Morris Assistant...Vibration Using Air - 5b. GRANT NUMBER Analog Model Ducted Propulsion Systems N00014-1-0522 5C. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER

Effect of External Vibration on PZT Impedance Signature.

PubMed

Yang, Yaowen; Miao, Aiwei

2008-11-01

Piezoelectric ceramic Lead Zirconate Titanate (PZT) transducers, working on the principle of electromechanical impedance (EMI), are increasingly applied for structural health monitoring (SHM) in aerospace, civil and mechanical engineering. The PZT transducers are usually surface bonded to or embedded in a structure and subjected to actuation so as to interrogate the structure at the desired frequency range. The interrogation results in the electromechanical admittance (inverse of EMI) signatures which can be used to estimate the structural health or integrity according to the changes of the signatures. In the existing EMI method, the monitored structure is only excited by the PZT transducers for the interrogating of EMI signature, while the vibration of the structure caused by the external excitations other than the PZT actuation is not considered. However, many structures work under vibrations in practice. To monitor such structures, issues related to the effects of vibration on the EMI signature need to be addressed because these effects may lead to misinterpretation of the structural health. This paper develops an EMI model for beam structures, which takes into account the effect of beam vibration caused by the external excitations. An experimental study is carried out to verify the theoretical model. A lab size specimen with different external excitations is tested and the effect of vibration on EMI signature is discussed.

Engineering the vibrational coherence of vision into a synthetic molecular device.

PubMed

Gueye, Moussa; Manathunga, Madushanka; Agathangelou, Damianos; Orozco, Yoelvis; Paolino, Marco; Fusi, Stefania; Haacke, Stefan; Olivucci, Massimo; Léonard, Jérémie

2018-01-22

The light-induced double-bond isomerization of the visual pigment rhodopsin operates a molecular-level optomechanical energy transduction, which triggers a crucial protein structure change. In fact, rhodopsin isomerization occurs according to a unique, ultrafast mechanism that preserves mode-specific vibrational coherence all the way from the reactant excited state to the primary photoproduct ground state. The engineering of such an energy-funnelling function in synthetic compounds would pave the way towards biomimetic molecular machines capable of achieving optimum light-to-mechanical energy conversion. Here we use resonance and off-resonance vibrational coherence spectroscopy to demonstrate that a rhodopsin-like isomerization operates in a biomimetic molecular switch in solution. Furthermore, by using quantum chemical simulations, we show why the observed coherent nuclear motion critically depends on minor chemical modifications capable to induce specific geometric and electronic effects. This finding provides a strategy for engineering vibrationally coherent motions in other synthetic systems.

Study of the solvent effects on the molecular structure and Cdbnd O stretching vibrations of flurbiprofen

NASA Astrophysics Data System (ADS)

Tekin, Nalan; Pir, Hacer; Sagdinc, Seda

2012-12-01

The effects of 15 solvents on the C=O stretching vibrational frequency of flurbiprofen (FBF) were determined to investigate solvent-solute interactions. Solvent effects on the geometry and C=O stretching vibrational frequency, ν(C=O), of FBF were studied theoretically at the DFT/B3LYP and HF level in combination with the polarizable continuum model and experimentally using attenuated total reflection infrared spectroscopy (ATR-IR). The calculated C=O stretching frequencies in the liquid phase are in agreement with experimental values. Moreover, the wavenumbers of ν(C=O) of FBF in different solvents have been obtained and correlated with the Kirkwood-Bauer-Magat equation (KBM), the solvent acceptor numbers (ANs), and the linear solvation energy relationships (LSERs). The solvent-induced stretching vibrational frequency shifts displayed a better correlation with the LSERs than with the ANs and KBM.

Structural and vibrational investigations of a neurotransmitter molecule: Serotonin (5-hydroxy tryptamine)

NASA Astrophysics Data System (ADS)

Jha, Omkant; Yadav, R. A.

2016-11-01

Structural and vibrational studies have been carried out for the most stable conformer of serotonin (5-HT) at the DFT/B3LYP/6-311++G** level using the Gaussian 09 software. In light of the computed vibrational parameters the observed IR and Raman frequencies have been analyzed. To help assign the vibrational fundamentals the GAR2PED software has been used to compute PEDs. Several of the fundamentals are drastically changed in going from indole to serotonin. The two NH bonds of the NH2 group are slightly different possibly due to bonding of the two H atoms of the NH2 group with different atoms. The rocking and wagging modes of the NH2 groups show mixing with the other modes while the remaining four modes are pure group modes. The Kekule phenyl ring stretching mode is found to remain almost unchanged. The HOMO-LUMO energy gap supports to pharmacological active property of the serotonin molecule. The HOMO and LUMO study suggests the existence of charge transfer within the molecule. The NBO analysis has been carried out to gather information regarding the proper and improper hydrogen bonds.

Structural and vibrational study of a neurotransmitter molecule: Dopamine [4-(2-aminoethyl) benzene-1,2-diol].

PubMed

Jha, Omkant; Yadav, T K; Yadav, R A

2018-01-15

Structural and vibrational studies for the most stable conformer of dopamine {4-(2-Aminoethyl) benzene-1, 2-diol} have been carried out at the DFT/B3LYP/6-311++G** level using the Gaussian 09 software. The IR and Raman spectra have been recorded and analyzed in light of the computed vibrational parameters using the DFT and the PEDs computed with the help of the GAR2PED software. Some of the fundamentals have considerably changed frequencies in going from benzene to dopamine. Except the rocking and wagging modes of the NH 2 group the other four modes are pure group modes. The rocking and wagging modes of the NH 2 group show mixing with the other modes. The two OH stretching vibrations are highly localized modes. The Kekule phenyl ring stretching mode is found to remain almost unchanged. The HOMO-LUMO study suggests the existence of charge transfer within the molecule and the energy gap supports the pharmacological active property of the dopamine molecule. The NBO analysis has been carried out to understand the proper and improper hydrogen bonding. Copyright © 2017. Published by Elsevier B.V.

Spectroscopic Manifestation of Vibrationally-Mediated Structure Change in the Isolated Formate Monohydrate

NASA Astrophysics Data System (ADS)

Denton, Joanna K.; Wolke, Conrad T.; Gorlova, Olga; Gerardi, Helen; McCoy, Anne B.; Johnson, Mark

2016-06-01

The breadth of the OH stretching manifold observed in the IR for bulk water is commonly attributed to the thermal population of excited states and the presence of many configurations within the water network. Here, I use carboxylate species as a rigid framework to isolate a single water molecule in the gas phase and cold ion vibrational pre-dissociation spectroscopy to explore excited state contributions to bandwidth. The spectrum of the carboxylate monohydrate exhibits a signature series of peaks in the OH stretching region of this system, providing an archetypal model to study vibrationally adiabatic mode separation. Previous analysis of this behavior accounts for the extensive progression in a Franck-Condon formalism involving displaced vibrationally adiabatic potentials. In this talk I will challenge this prediction by using isotopic substation to systematically change the level structure within these potentials. This picture quantitatively accounts for the diffuse spectrum of this complex at elevated temperature providing a convenient spectroscopic reporter for the temperature of ions in a trap. E. M. Myshakin, K. D. Jordan, E. L. Sibert III, M. A. Johnson J. Chem. Phys. 119, 10138 (2003) W.H. Robertson, et al. J. Phys Chem. 107, 6527 (2003)

Molecular structure, vibrational spectra, NBO analysis and molecular packing prediction of 3-nitroacetanilide by ab initio HF and density functional theory.

PubMed

Li, Xiao-Hong; Li, Tong-Wei; Ju, Wei-Wei; Yong, Yong-Liang; Zhang, Xian-Zhou

2014-01-24

Quantum chemical calculations of geometries and vibrational wavenumbers of 3-nitroacetanilide (C8H8N2O3) in the ground state were carried out by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6-31+G(*) basis set. The -311++G(**) basis set is also used for B3LYP level. The scaled harmonic vibrational frequencies have been compared with experimental FT-IR spectra. Theoretical vibrational spectra of the title compound were interpreted by means of potential energies distributions (PEDs) using MOLVIB program. The theoretical spectrograms for IR spectra of the title compound have been constructed. The shortening of C-H bond length and the elongation of N-H bond length suggest the existence of weak C-H⋯O and N-H⋯O hydrogen bonds, which is confirmed by the natural bond orbital analysis. In addition, the crystal structure obtained by molecular mechanics belongs to the P2(1) space group, with lattice parameters Z=4, a=14.9989 Å, b=4.0367 Å, c=12.9913 Å, ρ=0.998 g cm(-3). Copyright © 2013 Elsevier B.V. All rights reserved.

Molecular structure, vibrational spectra, NBO analysis and molecular packing prediction of 3-nitroacetanilide by ab initio HF and density functional theory

NASA Astrophysics Data System (ADS)

Li, Xiao-Hong; Li, Tong-Wei; Ju, Wei-Wei; Yong, Yong-Liang; Zhang, Xian-Zhou

2014-01-01

Quantum chemical calculations of geometries and vibrational wavenumbers of 3-nitroacetanilide (C8H8N2O3) in the ground state were carried out by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6-31+G* basis set. The -311++G** basis set is also used for B3LYP level. The scaled harmonic vibrational frequencies have been compared with experimental FT-IR spectra. Theoretical vibrational spectra of the title compound were interpreted by means of potential energies distributions (PEDs) using MOLVIB program. The theoretical spectrograms for IR spectra of the title compound have been constructed. The shortening of Csbnd H bond length and the elongation of Nsbnd H bond length suggest the existence of weak Csbnd H⋯O and Nsbnd H⋯O hydrogen bonds, which is confirmed by the natural bond orbital analysis. In addition, the crystal structure obtained by molecular mechanics belongs to the P21 space group, with lattice parameters Z = 4, a = 14.9989 Å, b = 4.0367 Å, c = 12.9913 Å, ρ = 0.998 g cm-3.

Effects of whole-body vibration on plasma sclerostin level in healthy women.

PubMed

Çidem, Muharrem; Karakoç, Yunus; Ekmekçi, Hakan; Küçük, Suat Hayri; Uludağ, Murat; Gün, Kerem; Karamehmetoğlu, Safak Sahir; Karacan, İlhan

2014-01-01

To determine whether plasma sclerostin levels are affected by applying whole-body vibration treatments. Following a pilot study, the pretsent prospective, randomized, controlled single-blind study was performed on 16 healthy volunteer women (ages 20 to 40 years). Subjects were randomly divided into 2 groups, and whole-body vibration was applied to the treatment group but not to the controls. The plasma sclerostin levels were measured before the treatment and at the 10th minute after whole-body vibration on the 1st, 2nd, and 5th days of application. The plasma sclerostin level measured at 10 min after the whole-body vibration treatment increased 91% (P = 0.024) on the 1st day and decreased 31.5% (P = 0.03) on the 5th day in the whole-body vibration group. In the control group, there was no change in the plasma sclerostin level at any time. A progressive increase in baseline plasma sclerostin levels during the 5 days of vibration sessions was also found. Our study demonstrated that whole-body vibration can change plasma sclerostin levels, and that this change is detectable 10 min after whole-body vibration treatments.

Concorde noise-induced building vibrations John F. Kennedy International Airport

NASA Technical Reports Server (NTRS)

Mayes, W. H.; Deloach, R.; Stephens, D. G.; Cawthorn, J. M.; Holmes, H. K.; Lewis, R. B.; Holliday, B. G.; Ward, D. W.

1978-01-01

The outdoor and indoor noise levels resulting from aircraft flyovers and certain nonaircraft events were recorded at six home sites along with the associated vibration levels in the walls, windows, and floors of these test homes. Limited subjective tests conducted to examine the human detection and annoyance thresholds for building vibration and rattle caused by aircraft noise showed that both vibration and rattle were detected subjectively in several houses for some operations of both the Concorde and subsonic aircraft. Preliminary results indicate that the relationship between window vibration and aircraft noise is: (1) linear, with vibration levels being accurately predicted from OASPL levels measured near the window; (2) consistent from flyover to flyover for a given aircraft type under approach conditions; (3) no different for Concorde than for other conventional jet transports (in the case of window vibrations induced under approach power conditions); and (4) relatively high levels of window vibration measured during Concorde operations are due more to higher OASPL levels than to unique Concorde source characteristics.

Damping control of micromachined lowpass mechanical vibration isolation filters using electrostatic actuation with electronic signal processing

NASA Astrophysics Data System (ADS)

Dean, Robert; Flowers, George; Sanders, Nicole; MacAllister, Ken; Horvath, Roland; Hodel, A. S.; Johnson, Wayne; Kranz, Michael; Whitley, Michael

2005-05-01

Some harsh environments, such as those encountered by aerospace vehicles and various types of industrial machinery, contain high frequency/amplitude mechanical vibrations. Unfortunately, some very useful components are sensitive to these high frequency mechanical vibrations. Examples include MEMS gyroscopes and resonators, oscillators and some micro optics. Exposure of these components to high frequency mechanical vibrations present in the operating environment can result in problems ranging from an increased noise floor to component failure. Passive micromachined silicon lowpass filter structures (spring-mass-damper) have been demonstrated in recent years. However, the performance of these filter structures is typically limited by low damping (especially if operated in near-vacuum environments) and a lack of tunability after fabrication. Active filter topologies, such as piezoelectric, electrostrictive-polymer-film and SMA have also been investigated in recent years. Electrostatic actuators, however, are utilized in many micromachined silicon devices to generate mechanical motion. They offer a number of advantages, including low power, fast response time, compatibility with silicon micromachining, capacitive position measurement and relative simplicity of fabrication. This paper presents an approach for realizing active micromachined mechanical lowpass vibration isolation filters by integrating an electrostatic actuator with the micromachined passive filter structure to realize an active mechanical lowpass filter. Although the electrostatic actuator can be used to adjust the filter resonant frequency, the primary application is for increasing the damping to an acceptable level. The physical size of these active filters is suitable for use in or as packaging for sensitive electronic and MEMS devices, such as MEMS vibratory gyroscope chips.

Development of a cost-effective and flexible vibration DAQ system for long-term continuous structural health monitoring

NASA Astrophysics Data System (ADS)

Nguyen, Theanh; Chan, Tommy H. T.; Thambiratnam, David P.; King, Les

2015-12-01

In the structural health monitoring (SHM) field, long-term continuous vibration-based monitoring is becoming increasingly popular as this could keep track of the health status of structures during their service lives. However, implementing such a system is not always feasible due to on-going conflicts between budget constraints and the need of sophisticated systems to monitor real-world structures under their demanding in-service conditions. To address this problem, this paper presents a comprehensive development of a cost-effective and flexible vibration DAQ system for long-term continuous SHM of a newly constructed institutional complex with a special focus on the main building. First, selections of sensor type and sensor positions are scrutinized to overcome adversities such as low-frequency and low-level vibration measurements. In order to economically tackle the sparse measurement problem, a cost-optimized Ethernet-based peripheral DAQ model is first adopted to form the system skeleton. A combination of a high-resolution timing coordination method based on the TCP/IP command communication medium and a periodic system resynchronization strategy is then proposed to synchronize data from multiple distributed DAQ units. The results of both experimental evaluations and experimental-numerical verifications show that the proposed DAQ system in general and the data synchronization solution in particular work well and they can provide a promising cost-effective and flexible alternative for use in real-world SHM projects. Finally, the paper demonstrates simple but effective ways to make use of the developed monitoring system for long-term continuous structural health evaluation as well as to use the instrumented building herein as a multi-purpose benchmark structure for studying not only practical SHM problems but also synchronization related issues.

Acoustic and Vibration Environment for Crew Launch Vehicle Mobile Launcher

NASA Technical Reports Server (NTRS)

Vu, Bruce T.

2007-01-01

A launch-induced acoustic environment represents a dynamic load on the exposed facilities and ground support equipment (GSE) in the form of random pressures fluctuating around the ambient atmospheric pressure. In response to these fluctuating pressures, structural vibrations are generated and transmitted throughout the structure and to the equipment items supported by the structure. Certain equipment items are also excited by the direct acoustic input as well as by the vibration transmitted through the supporting structure. This paper presents the predicted acoustic and vibration environments induced by the launch of the Crew Launch Vehicle (CLV) from Launch Complex (LC) 39. The predicted acoustic environment depicted in this paper was calculated by scaling the statistically processed measured data available from Saturn V launches to the anticipated environment of the CLV launch. The scaling was accomplished by using the 5-segment Solid Rocket Booster (SRB) engine parameters. Derivation of vibration environment for various Mobile Launcher (ML) structures throughout the base and tower was accomplished by scaling the Saturn V vibration environment.

Understanding of the Dynamics of the Stirling Convertor Advanced by Structural Testing

NASA Technical Reports Server (NTRS)

Hughes, William O.

2003-01-01

The NASA Glenn Research Center, the U.S. Department of Energy, and the Stirling Technology Company (STC) are developing a highly efficient, long-life, free-piston Stirling convertor for use as an advanced spacecraft power system for future NASA missions, including deep-space and Mars surface applications. As part of this development, four structural dynamic test programs were recently performed on Stirling Technology Demonstration Convertors (TDC's) that were designed and built by STC under contract to the Department of Energy. This testing was performed in Glenn's Structural Dynamics Laboratory and Microgravity Emissions Laboratory. The first test program, in November and December 1999, demonstrated that the Stirling TDC could withstand the harsh random vibration experienced during a typical spacecraft launch and survive with no structural damage or functional power performance degradation. This was a critical step in enabling the use of Stirling convertors for future spacecraft power systems. The most severe test was a 12.3grms random vibration test, with test durations of 3 min per axis. The random vibration test levels were chosen to simulate, with margin, the maximum anticipated launch vibration conditions. The Microgravity Emissions Laboratory is typically used to measure the dynamics produced by operating space experiments and the resulting impact to the International Space Station's microgravity environment. For the second Stirling dynamic test program, performed in January 2001, the Microgravity Emissions Laboratory was used to characterize the structure-borne disturbances produced by the normal operation of a pair of Stirling convertors. The forces and moments produced by the normal operation of a Stirling system must be recognized and controlled, if necessary, so that other nearby spacecraft components, such as cameras, are not adversely affected. The Stirling convertor pair emitted relatively benign tonal forces at its operational frequency and associated harmonics. Therefore, Stirling power systems will not disturb spacecraft science experiments if minimal appropriate mounting efforts are made. The third test program, performed in February and May 2001, resulted in a modal characterization of a Stirling convertor. Since the deflection of the TDC piston rod, under vibration excitation, was of particular interest, the outer pressure shell was removed to allow access to the rod. Through this testing, the Stirling TDC's natural frequencies and modes were identified. This knowledge advanced our understanding of the successful 1999 vibration test and may be utilized to optimize the output power of future Stirling designs. The fourth test program, in April 2001, was conducted to characterize the structural response of a pair of Stirling convertors, as a function of their mounting interface stiffness. The test results provide guidance for the Stirling power package interface design. Properly designed, the interface may lead to increased structural capability and power performance beyond what was demonstrated in the successful 1999 vibration test. Dynamic testing performed to date at Glenn has shown that the Stirling convertors can withstand liftoff random vibration environments and meet "good neighbor" vibratory emission requirements. Furthermore, the future utilization of the information obtained during the tests will allow the corporation selected to be the Stirling system integrator to optimize their convertor and system interfaces designs. Glenn's Thermo-Mechanical Systems Branch provides Stirling technology expertise under a Space Act Agreement with the Department of Energy. Additional vibration testing by Glenn's Structural Systems Dynamics Branch is planned to continue to demonstrate the Stirling power system's vibration capability as its technology and flight system designs progress.

Method and apparatus for determining material structural integrity

DOEpatents

Pechersky, Martin

1996-01-01

A non-destructive method and apparatus for determining the structural integrity of materials by combining laser vibrometry with damping analysis techniques to determine the damping loss factor of a material. The method comprises the steps of vibrating the area being tested over a known frequency range and measuring vibrational force and velocity as a function of time over the known frequency range. Vibrational velocity is preferably measured by a laser vibrometer. Measurement of the vibrational force depends on the vibration method. If an electromagnetic coil is used to vibrate a magnet secured to the area being tested, then the vibrational force is determined by the amount of coil current used in vibrating the magnet. If a reciprocating transducer is used to vibrate a magnet secured to the area being tested, then the vibrational force is determined by a force gauge in the reciprocating transducer. Using known vibrational analysis methods, a plot of the drive point mobility of the material over the preselected frequency range is generated from the vibrational force and velocity measurements. The damping loss factor is derived from a plot of the drive point mobility over the preselected frequency range using the resonance dwell method and compared with a reference damping loss factor for structural integrity evaluation.

An approach to determination of shunt circuits parameters for damping vibrations

NASA Astrophysics Data System (ADS)

Matveenko; Iurlova; Oshmarin; Sevodina; Iurlov

2018-04-01

This paper considers the problem of natural vibrations of a deformable structure containing elements made of piezomaterials. The piezoelectric elements are connected through electrodes to an external electric circuit, which consists of resistive, inductive and capacitive elements. Based on the solution of this problem, the parameters of external electric circuits are searched for to allow optimal passive control of the structural vibrations. The solution to the problem is complex natural vibration frequencies, the real part of which corresponds to the circular eigenfrequency of vibrations and the imaginary part corresponds to its damping rate (damping ratio). The analysis of behaviour of the imaginary parts of complex eigenfrequencies in the space of external circuit parameters allows one to damp given modes of structure vibrations. The effectiveness of the proposed approach is demonstrated using a cantilever-clamped plate and a shell structure in the form of a semi-cylinder connected to series resonant ? circuits.

Structural sensitivity of Csbnd H vibrational band in methyl benzoate

NASA Astrophysics Data System (ADS)

Roy, Susmita; Maiti, Kiran Sankar

2018-05-01

The Csbnd H vibrational bands of methyl benzoate are studied to understand its coupling pattern with other vibrational bands of the biological molecule. This will facilitate to understand the biological structure and dynamics in spectroscopic as well as in microscopic study. Due to the congested spectroscopic pattern, near degeneracy, and strong anharmonicity of the Csbnd H stretch vibrations, assignment of the Csbnd H vibrational frequencies are often misleading. Anharmonic vibrational frequency calculation with multidimensional potential energy surface interprets the Csbnd H vibrational spectra more accurately. In this article we have presented the importance of multidimensional potential energy surface in anharmonic vibrational frequency calculation and discuss the unexpected red shift of asymmetric Csbnd H stretch vibration of methyl group. The Csbnd D stretch vibrational band which is splitted to double peaks due to the Fermi resonance is also discussed here.

Vibration control of a cluster of buildings through the Vibrating Barrier

NASA Astrophysics Data System (ADS)

Tombari, A.; Garcia Espinosa, M.; Alexander, N. A.; Cacciola, P.

2018-02-01

A novel device, called Vibrating Barrier (ViBa), that aims to reduce the vibrations of adjacent structures subjected to ground motion waves has been recently proposed. The ViBa is a structure buried in the soil and detached from surrounding buildings that is able to absorb a significant portion of the dynamic energy arising from the ground motion. The working principle exploits the dynamic interaction among vibrating structures due to the propagation of waves through the soil, namely the structure-soil-structure interaction. In this paper the efficiency of the ViBa is investigated to control the vibrations of a cluster of buildings. To this aim, a discrete model of structures-site interaction involving multiple buildings and the ViBa is developed where the effects of the soil on the structures, i.e. the soil-structure interaction (SSI), the structure-soil-structure interaction (SSSI) as well as the ViBa-soil-structures interaction are taken into account by means of linear elastic springs. Closed-form solutions are derived to design the ViBa in the case of harmonic excitation from the analysis of the discrete model. Advanced finite element numerical simulations are performed in order to assess the efficiency of the ViBa for protecting more than a single building. Parametric studies are also conducted to identify beneficial/adverse effects in the use of the proposed vibration control strategy to protect cluster of buildings. Finally, experimental shake table tests are performed to a prototype of a cluster of two buildings protected by the ViBa device for validating the proposed numerical models.

Design and initial validation of a wireless control system based on WSN

NASA Astrophysics Data System (ADS)

Yu, Yan; Li, Luyu; Li, Peng; Wang, Xu; Liu, Hang; Ou, Jinping

2013-04-01

At present, cantilever structure used widely in civil structures will generate continuous vibration by external force due to their low damping characteristic, which leads to a serious impact on the working performance and service time. Therefore, it is very important to control the vibration of these structures. The active vibration control is the primary means of controlling the vibration with high precision and strong adaptive ability. Nowadays, there are many researches using piezoelectric materials in the structural vibration control. Piezoelectric materials are cheap, reliable and they can provide braking and sensing method harmless to the structure, therefore they have broad usage. They are used for structural vibration control in a lot of civil engineering research currently. In traditional sensor applications, information exchanges with the monitoring center or a computer system through wires. If wireless sensor networks(WSN) technology is used, cabling links is not needed, thus the cost of the whole system is greatly reduced. Based on the above advantages, a wireless control system is designed and validated through preliminary tests. The system consists of a cantilever, PVDF as sensor, signal conditioning circuit(SCM), A/D acquisition board, control arithmetic unit, D/A output board, power amplifier, piezoelectric bimorph as actuator. DSP chip is used as the control arithmetic unit and PD control algorithm is embedded in it. PVDF collects the parameters of vibration, sends them to the SCM after A/D conversion. SCM passes the data to the DSP through wireless technology, and DSP calculates and outputs the control values according to the control algorithm. The output signal is amplified by the power amplifier to drive the piezoelectric bimorph for vibration control. The structural vibration duration reduces to 1/4 of the uncontrolled case, which verifies the feasibility of the system.

Interstellar polycyclic aromatic hydrocarbons - The infrared emission bands, the excitation/emission mechanism, and the astrophysical implications

NASA Technical Reports Server (NTRS)

Allamandola, L. J.; Tielens, G. G. M.; Barker, J. R.

1989-01-01

A comprehensive study of the PAH hypothesis is presented, including the interstellar, IR spectral features which have been attributed to emission from highly vibrationally excited PAHs. Spectroscopic and IR emission features are discussed in detail. A method for calculating the IR fluorescence spectrum from a vibrationally excited molecule is described. Analysis of interstellar spectrum suggests that the PAHs which dominate the IR spectra contain between 20 and 40 C atoms. The results are compared with results from a thermal approximation. It is found that, for high levels of vibrational excitation and emission from low-frequency modes, the two methods produce similar results. Also, consideration is given to the relationship between PAH molecules and amorphous C particles, the most likely interstellar PAH molecular structures, the spectroscopic structure produced by PAHs and PAH-related materials in the UV portion of the interstellar extinction curve, and the influence of PAH charge on the UV, visible, and IR regions.

Characterization of 1,5-dimethoxynaphthalene by vibrational spectroscopy (FT-IR and FT-Raman) and density functional theory calculations.

PubMed

Kandasamy, M; Velraj, G; Kalaichelvan, S; Mariappan, G

2015-01-05

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and natural bond orbital (NBO) analysis of 1,5-dimethoxynaphthalene. The optimized molecular structure, atomic charges, vibrational frequencies and natural bond orbital analysis of 1,5-dimethoxynaphthalene have been studied by performing DFT/B3LYP/6-31G(d,p) level of theory. The FTIR, FT-Raman spectra were recorded in the region of 4000-400 cm(-1) and 3500-50 cm(-1) respectively. The scaled wavenumbers are compared with the experimental values. The difference between the observed and scaled wavenumber values of the most fundamentals is very small. The formation of hydrogen bond was investigated in terms of the charge density by the NBO analysis. Natural Population Analysis (NPA) was used for charge determination in the title molecule. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. Copyright © 2014 Elsevier B.V. All rights reserved.

Designing and Building to ``Impossible'' Tolerances for Vibration Sensitive Equipment

NASA Astrophysics Data System (ADS)

Hertlein, Bernard H.

2003-03-01

As the precision and production capabilities of modern machines and factories increase, our expectations of them rise commensurately. Facility designers and engineers find themselves increasingly involved with measurement needs and design tolerances that were almost unthinkable a few years ago. An area of expertise that demonstrates this very clearly is the field of vibration measurement and control. Magnetic Resonance Imaging, Semiconductor manufacturing, micro-machining, surgical microscopes — These are just a few examples of equipment or techniques that need an extremely stable vibration environment. The challenge to architects, engineers and contractors is to provide that level of stability without undue cost or sacrificing the aesthetics and practicality of a structure. In addition, many facilities have run out of expansion room, so the design is often hampered by the need to reuse all or part of an existing structure, or to site vibration-sensitive equipment close to an existing vibration source. High resolution measurements and nondestructive testing techniques have proven to be invaluable additions to the engineer's toolbox in meeting these challenges. The author summarizes developments in this field over the last fifteen years or so, and lists some common errors of design and construction that can cost a lot of money in retrofit if missed, but can easily be avoided with a little foresight, an appropriate testing program and a carefully thought out checklist.

Molecular structure and vibrational study of diprotonated guanazolium using DFT calculations and FT-IR and FT-Raman spectroscopies.

PubMed

Guennoun, L; Zaydoun, S; El Jastimi, J; Marakchi, K; Komiha, N; Kabbaj, O K; El Hajji, A; Guédira, F

2012-11-01

The purpose of this manuscript is to discuss our investigations of diprotonated guanazolium chloride using vibrational spectroscopy and quantum chemical methods. The solid phase FT-IR and FT-Raman spectra were recorded in the regions 4000-400cm(-1) and 3600-50cm(-1) respectively, and the band assignments were supported by deuteration effects. Different sites of diprotonation have been theoretically examined at the B3LYP/6-31G level. The results of energy calculations show that the diprotonation process occurs with the two pyridine-like nitrogen N2 and N4 of the triazole ring. The molecular structure, harmonic vibrational wave numbers, infrared intensities and Raman activities were calculated for this form by DFT/B3LYP methods, using a 6-31G basis set. Both the optimized geometries and the theoretical and experimental spectra for diprotonated guanazolium under a stable form are compared with theoretical and experimental data of the neutral molecule reported in our previous work. This comparison reveals that the diprotonation occurs on the triazolic nucleus, and provide information about the hydrogen bonding in the crystal. The scaled vibrational wave number values of the diprotonated form are in close agreement with the experimental data. The normal vibrations were characterized in terms of potential energy distribution (PED) using the VEDA 4 program. Copyright © 2012 Elsevier B.V. All rights reserved.

Molecular structure and vibrational study of diprotonated guanazolium using DFT calculations and FT-IR and FT-Raman spectroscopies

NASA Astrophysics Data System (ADS)

Guennoun, L.; Zaydoun, S.; El jastimi, J.; Marakchi, K.; Komiha, N.; Kabbaj, O. K.; El Hajji, A.; Guédira, F.

2012-11-01

The purpose of this manuscript is to discuss our investigations of diprotonated guanazolium chloride using vibrational spectroscopy and quantum chemical methods. The solid phase FT-IR and FT-Raman spectra were recorded in the regions 4000-400 cm-1 and 3600-50 cm-1 respectively, and the band assignments were supported by deuteration effects. Different sites of diprotonation have been theoretically examined at the B3LYP/6-31G∗ level. The results of energy calculations show that the diprotonation process occurs with the two pyridine-like nitrogen N2 and N4 of the triazole ring. The molecular structure, harmonic vibrational wave numbers, infrared intensities and Raman activities were calculated for this form by DFT/B3LYP methods, using a 6-31G∗ basis set. Both the optimized geometries and the theoretical and experimental spectra for diprotonated guanazolium under a stable form are compared with theoretical and experimental data of the neutral molecule reported in our previous work. This comparison reveals that the diprotonation occurs on the triazolic nucleus, and provide information about the hydrogen bonding in the crystal. The scaled vibrational wave number values of the diprotonated form are in close agreement with the experimental data. The normal vibrations were characterized in terms of potential energy distribution (PED) using the VEDA 4 program.

Infrared signature of micro-hydration in the organophosphate sarin: An ab initio study

DOE PAGES

Alam, Todd M.; Pearce, Charles Joseph

2015-06-28

The infrared (IR) spectra of micro-hydrated Sarin•(H 2O) n clusters containing between one and four explicit waters have been studied using ab initio density functional theory (DFT) methods. The phosphate group P=O bond vibration region (~1270 to 1290 cm –1) revealed the largest frequency variation with hydration, with a frequency red shift reflecting the direct hydrogen bond formation between the P=O of Sarin and water. Small variations to the P-F stretch (~810 to 815 cm –1) and the C-O-P vibrational modes (~995 to 1004 cm –1) showed that the water interactions with these functional groups were minor, and that themore » structures of Sarin were not extensively perturbed in the hydrated complexes. Increasing the number of explicit hydration waters produced only small vibrational changes in the lowest free energy complexes. These minor changes were consistent with a single water-phosphate hydrogen bond being the dominant structure, though a second water-phosphate hydrogen bond was observed in some complexes and was identified by an additional red shift of the P=O bond vibration. As a result, the H 2O•H 2O vibrational modes (~3450 to 3660 cm –1) increased in complexity with higher hydration levels and reflect the extended hydrogen bonding networks formed between the explicit waters in the hydrated Sarin clusters.« less

Development of a long-gauge vibration sensor

NASA Astrophysics Data System (ADS)

Kung, Peter; Comanici, Maria I.; Li, Qian; Zhang, Yiwei

2015-03-01

We have recently found that a long length of fiber of up to 1 km terminated with an in-fiber cavity structure can detect vibrations over a frequency range from 5 Hz to 2 kHz. We want to determine whether the sensor (including packaging) can be optimized to detect vibrations at even higher frequencies. The structure can be used as a distributed vibration sensor mounted on large motors and other rotating machines to capture the entire frequency spectrum of the associated vibration signals, and therefore, replace the many accelerometers, which add to maintenance cost. The sensor may also help detect in-slot vibrations which cause intermittent contact leading to sparking under high voltages inside air-cooled generators. However, that requires the sensor to detect frequencies associated with vibration sparking, ranging from 6 kHz to 15 kHz. Acoustic vibration monitoring may need sensing at even higher frequencies (30 kHz to 150 kHz) associated with partial discharge (PD) in generators and transformers. Detecting lower frequencies in the range 2 Hz to 200 Hz makes the sensor suitable for seismic studies and falls well into the vibrations associated with rotating machines. Another application of interest is corrosion detection in large re-enforced concrete structures by inserting the sensor along a long hole drilled around structures showing signs of corrosion. The frequency response for the proposed longgauge vibration sensor depends on packaging.

Dynamic analysis of periodic vibration suppressors with multiple secondary oscillators

NASA Astrophysics Data System (ADS)

Ma, Jiangang; Sheng, Meiping; Guo, Zhiwei; Qin, Qi

2018-06-01

A periodic vibration suppressor with multiple secondary oscillators is examined in this paper to reduce the low-frequency vibration. The band-gap properties of infinite periodic structure and vibration transmission properties of finite periodic structure attached with secondary oscillators with arbitrary degree of freedom are thoroughly analyzed by the plane-wave-expansion method. A simply supported plate with a periodic rectangular array of vibration suppressors is considered. The dynamic model of this periodic structure is established and the equation of harmonic vibration response is theoretically derived and numerically examined. Compared with the simply supported plate without attached suppressors, the proposed plate can obtain better vibration control, and the vibration response can be effectively reduced in several frequency bands owing to the multiple band-gap property. By analyzing the modal properties of the periodic vibration suppressors, the relationship between modal frequencies and the parameters of spring stiffness and mass is established. With the numerical results, the design guidance of the locally resonant structure with multiple secondary oscillators is proposed to provide practical guidance for application. Finally, a practical periodic specimen is designed and fabricated, and then an experiment is carried out to validate the effectiveness of periodic suppressors in the reality. The results show that the experimental band gaps have a good coincidence with those in the theoretical model, and the low-frequency vibration of the plate with periodic suppressors can be effectively reduced in the tuned band gaps. Both the theoretical results and experimental results prove that the design method is effective and the structure with periodic suppressors has a promising application in engineering.

Separation of overlapping vibrational peaks in terahertz spectra using two-dimensional correlation spectroscopy

NASA Astrophysics Data System (ADS)

Hoshina, Hiromichi; Ishii, Shinya; Otani, Chiko

2014-07-01

In this study, the terahertz (THz) absorption spectra of poly(3-hydroxybutyrate) (PHB) were measured during isothermal crystallization at 90-120 °C. The temporal changes in the absorption spectra were analyzed using two-dimensional correlation spectroscopy (2DCOS). In the asynchronous plot, cross peaks were observed around 2.4 THz, suggesting that two vibrational modes overlap in the raw spectrum. By comparing this to the peak at 2.9 THz corresponding to the stretching mode of the helical structure of PHB and the assignment obtained using polarization spectroscopy, we concluded that the high-frequency band could be attributed to the vibration of the helical structure and the low-frequency band to the vibration between the helical structures. The exact frequencies of the overlapping vibrational bands and their assignments provide a new means to inspect the thermal behavior of the intermolecular vibrational modes. The large red-shift of the interhelix vibrational mode suggests a large anharmonicity in the vibrational potential.

Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity

PubMed Central

2018-01-01

The structural heterogeneity of water at various interfaces can be revealed by time-resolved sum-frequency generation spectroscopy. The vibrational dynamics of the O–H stretch vibration of interfacial water can reflect structural variations. Specifically, the vibrational lifetime is typically found to increase with increasing frequency of the O–H stretch vibration, which can report on the hydrogen-bonding heterogeneity of water. We compare and contrast vibrational dynamics of water in contact with various surfaces, including vapor, biomolecules, and solid interfaces. The results reveal that variations in the vibrational lifetime with vibrational frequency are very typical, and can frequently be accounted for by the bulk-like heterogeneous response of interfacial water. Specific interfaces exist, however, for which the behavior is less straightforward. These insights into the heterogeneity of interfacial water thus obtained contribute to a better understanding of complex phenomena taking place at aqueous interfaces, such as photocatalytic reactions and protein folding. PMID:29490138

The Spectroscopy and Photophysics of Aniline, 2-AMINOPYRIDINE, and 3-AMINOPYRIDINE

NASA Astrophysics Data System (ADS)

Kim, Byungjoo

1995-01-01

Two-photon ionization photoelectron spectroscopic techniques have been employed in concert with a picosecond laser system and molecular beam machine to study the vibrational structure of molecular ions and the intramolecular dynamics of optically prepared intermediate states. From photoelectron spectra of 2-aminopyridine via various S_1 vibronic resonances, the frequencies of several vibrations in the ionic state are assigned. The ionization potential of the molecule is found to be 8.099 +/- 0.003 eV. Using two-color ionization techniques, the electronic overlap effects in the photoionization of excited molecules have been studied, on the example of 2-aminopyridine, 3-aminopyridine, and aniline. The molecules are excited to their S_1 states, and ionized by a 200 nm laser pulse within 50 ps. The spectra of the aminopyridines show a striking absence of transitions to excited electronic states of the ions, indicating small electronic overlap factors in the ionization transitions and very little configuration interaction in the S _1 states. The spectra of aniline show the vibrationally resolved first excited electronic state band of the ion, which is very weak compared to the ground electronic state band, indicating a small amount of orbital mixing in the S_1 state. The vibrational peaks in the band were assigned by comparison of the spectra via two different vibronic resonances. The observations demonstrate that electronic overlap effects play a very general role in the ionization of polyatomic molecules in electronically excited states, and that orbital mixing patterns of the excited electronic states may become observable by projecting molecular electronic wavefunctions onto the ion states. In the time-delayed experiments for these molecules, all spectra reveal only one product of the nonradiative relaxation process. Careful considerations of electronic and vibrational overlap propensity rules for the ionization step lead to the conclusion that the dominant nonradiative decay mechanism in these molecules is the intersystem crossing to excited vibrational states of the T_1 state. This technique has been applied to study the predissociation process of CS_2 in the S_3 vibronic levels near 200 nm. The spectra show extensive vibrational structure, with unusual activity in the antisymmetric vibrations, indicating the possibility of level mixing in the intermediate state by the IVR couplings.

Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.

PubMed

Tao, Yunwen; Zou, Wenli; Cremer, Dieter; Kraka, Elfi

2018-03-05

Using catastrophe theory and the concept of a mutation path, an algorithm is developed that leads to the direct correlation of the normal vibrational modes of two structurally related molecules. The mutation path is defined by weighted incremental changes in mass and geometry of the molecules in question, which are successively applied to mutate a molecule into a structurally related molecule and thus continuously converting their normal vibrational spectra from one into the other. Correlation diagrams are generated that accurately relate the normal vibrational modes to each other by utilizing mode-mode overlap criteria and resolving allowed and avoided crossings of vibrational eigenstates. The limitations of normal mode correlation, however, foster the correlation of local vibrational modes, which offer a novel vibrational measure of similarity. It will be shown how this will open new avenues for chemical studies. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Vibration Analysis of Composite Laminate Plate Excited by Piezoelectric Actuators

PubMed Central

Her, Shiuh-Chuan; Lin, Chi-Sheng

2013-01-01

Piezoelectric materials can be used as actuators for the active vibration control of smart structural systems. In this work, piezoelectric patches are surface bonded to a composite laminate plate and used as vibration actuators. A static analysis based on the piezoelectricity and elasticity is conducted to evaluate the loads induced by the piezoelectric actuators to the host structure. The loads are then employed to develop the vibration response of a simply supported laminate rectangular plate excited by piezoelectric patches subjected to time harmonic voltages. An analytical solution of the vibration response of a simply supported laminate rectangular plate under time harmonic electrical loading is obtained and compared with finite element results to validate the present approach. The effects of location and exciting frequency of piezoelectric actuators on the vibration response of the laminate plate are investigated through a parametric study. Numerical results show that modes can be selectively excited, leading to structural vibration control. PMID:23529121

Decentralized semi-active damping of free structural vibrations by means of structural nodes with an on/off ability to transmit moments

NASA Astrophysics Data System (ADS)

Poplawski, Blazej; Mikułowski, Grzegorz; Mróz, Arkadiusz; Jankowski, Łukasz

2018-02-01

This paper proposes, tests numerically and verifies experimentally a decentralized control algorithm with local feedback for semi-active mitigation of free vibrations in frame structures. The algorithm aims at transferring the vibration energy of low-order, lightly-damped structural modes into high-frequency modes of vibration, where it is quickly damped by natural mechanisms of material damping. Such an approach to mitigation of vibrations, known as the prestress-accumulation release (PAR) strategy, has been earlier applied only in global control schemes to the fundamental vibration mode of a cantilever beam. In contrast, the decentralization and local feedback allows the approach proposed here to be applied to more complex frame structures and vibration patterns, where the global control ceases to be intuitively obvious. The actuators (truss-frame nodes with controllable ability to transmit moments) are essentially unblockable hinges that become unblocked only for very short time periods in order to trigger local modal transfer of energy. The paper proposes a computationally simple model of the controllable nodes, specifies the control performance measure, yields basic characteristics of the optimum control, proposes the control algorithm and then tests it in numerical and experimental examples.

Whole-body vibration exposure: a comprehensive field study.

PubMed

Ozkaya, N; Willems, B; Goldsheyder, D

1994-12-01

A comprehensive field study investigated whole-body vibration exposure levels experienced by the train operators of a large metropolitan subway system. The purposes of the study were to measure mechanical vibrations transmitted to the seated train operators, to calculate daily whole-body vibration exposure levels, and to compare these levels with maximum acceptable exposure levels recommended by the international standard on whole-body vibration (ISO 2631). The study also sought to identify factors that may influence mechanical vibrations transmitted to the operators and quantify their effects on the measured vibration levels. The study was carried out by dividing the subway system into subway lines, each line into southbound and northbound directions, and each direction into station-to-station observations. Triaxial measurements were made on all subway lines and for all car types used in the system. For each line, at least two round trips of data were collected. Time-weighted averages of the two sets of data were used for final presentation. A total of 48 round trips were made and more than 100 hours of vibration data was collected and analyzed. All phases of the study were carried out in accordance with the procedures outlined in ISO 2631. It was determined that 6 out of 20 subway lines had vibration levels higher than daily exposure limits recommended by ISO 2631. It was also determined that train speed was the most significant factor influencing vibration exposure levels.

Optimal design of damping layers in SMA/GFRP laminated hybrid composites

NASA Astrophysics Data System (ADS)

Haghdoust, P.; Cinquemani, S.; Lo Conte, A.; Lecis, N.

2017-10-01

This work describes the optimization of the shape profiles for shape memory alloys (SMA) sheets in hybrid layered composite structures, i.e. slender beams or thinner plates, designed for the passive attenuation of flexural vibrations. The paper starts with the description of the material and architecture of the investigated hybrid layered composite. An analytical method, for evaluating the energy dissipation inside a vibrating cantilever beam is developed. The analytical solution is then followed by a shape profile optimization of the inserts, using a genetic algorithm to minimize the SMA material layer usage, while maintaining target level of structural damping. Delamination problem at SMA/glass fiber reinforced polymer interface is discussed. At the end, the proposed methodology has been applied to study the hybridization of a wind turbine layered structure blade with SMA material, in order to increase its passive damping.

Can two H2 molecules be inserted into C60 - an accurate first-principles exploration of structural, energetic and vibrational properties of the 2H2@C60 complex

NASA Astrophysics Data System (ADS)

Dolgonos, Grygoriy A.; Peslherbe, Gilles H.

2016-10-01

The 2H2@C60 minimum structure of C2 symmetry has been fully characterized at the density-fitting local second-order Møller-Plesset (DF-LMP2) level of theory. Its uncorrected and zero-point energy (ZPE) corrected complexation energies equal 1.9 and 6.2 kcal/mol, respectively, confirming the instability of the complex. This structure exhibits the largest intermolecular host-guest and guest-guest separations among all the complexes studied in this work. The calculated infrared spectrum of 2H2@C60 does not show any frequency shifts for the modes associated with radial or tangential displacements in C60 (except for one mode), but shows a weak red Hsbnd H vibrational frequency shift.

Experimental evaluation of active-member control of precision structures

NASA Technical Reports Server (NTRS)

Fanson, James; Blackwood, Gary; Chu, Cheng-Chih

1989-01-01

The results of closed loop experiments that use piezoelectric active-members to control the flexible motion of a precision truss structure are described. These experiments are directed toward the development of high-performance structural systems as part of the Control/Structure Interaction (CSI) program at JPL. The focus of CSI activity at JPL is to develop the technology necessary to accurately control both the shape and vibration levels in the precision structures from which proposed large space-based observatories will be built. Structural error budgets for these types of structures will likely be in the sub-micron regime; optical tolerances will be even tighter. In order to achieve system level stability and local positioning at this level, it is generally expected that some form of active control will be required.

Sweeping shunted electro-magnetic tuneable vibration absorber: Design and implementation

NASA Astrophysics Data System (ADS)

Turco, E.; Gardonio, P.

2017-10-01

This paper presents a study on the design and implementation of a time-varying shunted electro-magnetic Tuneable Vibration Absorber for broad-band vibration control of thin structures. A time-varying RL-shunt is used to harmonically vary the stiffness and damping properties of the Tuneable Vibration Absorber so that its mechanical fundamental natural frequency is continuously swept in a given broad frequency band whereas its mechanical damping is continuously adapted to maximize the vibration absorption from the hosting structure where it is mounted. The paper first recalls the tuning and positioning criteria for the case where a classical Tuneable Vibration Absorber is installed on a thin walled cylindrical structure to reduce the response of a resonating flexural mode. It then discusses the design of the time-varying shunt circuit to produce the desired stiffness and damping variations in the electro-magnetic Tuneable Vibration Absorber. Finally, it presents a numerical study on the flexural vibration and interior sound control effects produced when an array of these shunted electro-magnetic Tuneable Vibration Absorbers are mounted on a thin walled cylinder subject to a rain-on-the-roof stochastic excitation. The study shows that the array of proposed systems effectively controls the cylinder flexural response and interior noise over a broad frequency band without need of tuning and thus system identification of the structure. Therefore, the systems can be successfully used also on structures whose physical properties vary in time because of temperature changes or tensioning effects for example.

A Lorentz force actuated magnetic field sensor with capacitive read-out

NASA Astrophysics Data System (ADS)

Stifter, M.; Steiner, H.; Kainz, A.; Keplinger, F.; Hortschitz, W.; Sauter, T.

2013-05-01

We present a novel design of a resonant magnetic field sensor with capacitive read-out permitting wafer level production. The device consists of a single-crystal silicon cantilever manufactured from the device layer of an SOI wafer. Cantilevers represent a very simple structure with respect to manufacturing and function. On the top of the structure, a gold lead carries AC currents that generate alternating Lorentz forces in an external magnetic field. The free end oscillation of the actuated cantilever depends on the eigenfrequencies of the structure. Particularly, the specific design of a U-shaped structure provides a larger force-to-stiffness-ratio than standard cantilevers. The electrodes for detecting cantilever deflections are separately fabricated on a Pyrex glass-wafer. They form the counterpart to the lead on the freely vibrating planar structure. Both wafers are mounted on top of each other. A custom SU-8 bonding process on wafer level creates a gap which defines the equilibrium distance between sensing electrodes and the vibrating structure. Additionally to the capacitive read-out, the cantilever oscillation was simultaneously measured with laser Doppler vibrometry through proper windows in the SOI handle wafer. Advantages and disadvantages of the asynchronous capacitive measurement configuration are discussed quantitatively and presented by a comprehensive experimental characterization of the device under test.

Full-scale investigation of wind-induced vibrations of mast-arm traffic signal structures.

DOT National Transportation Integrated Search

2014-08-01

Because of their inherent : fl : exibility and low damping ratios, cantilevered mast : - : arm : tra : ffi : c signal structures are suscepti : b : le to : wind : - : induced vibrations. : These vibrations : cause stru : ctural stresses and strains t...

Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations.

PubMed

Joseph, Lynnette; Sajan, D; Chaitanya, K; Isac, Jayakumary

2014-03-25

The conformational behavior and structural stability of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene (TDBE) were investigated by using density functional theory (DFT) method with the B3LYP/6-311++G(d,p) basis set combination. The vibrational wavenumbers of TDBE were computed at DFT level and complete vibrational assignments were made on the basis of normal coordinate analysis calculations (NCA). The DFT force field transformed to natural internal coordinates was corrected by a well-established set of scale factors that were found to be transferable to the title compound. The infrared and Raman spectra were also predicted from the calculated intensities. The observed Fourier transform infrared (FTIR) and Fourier transform (FT) Raman vibrational wavenumbers were analyzed and compared with the theoretically predicted vibrational spectra. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). Copyright © 2013 Elsevier B.V. All rights reserved.

Automation of vibroacoustic data bank for random vibration criteria development. [for the space shuttle and launch vehicles

NASA Technical Reports Server (NTRS)

Ferebee, R. C.

1982-01-01

A computerized data bank system was developed for utilization of large amounts of vibration and acoustic data to formulate component random vibration design and test criteria. This system consists of a computer, graphics tablet, and a dry-silver hard copier which are all desk-top type hardware and occupy minimal space. The data bank contains data from the Saturn V and Titan III flight and static test programs. The vibration and acoustic data are stored in the form of power spectral density and one-third octave band plots over the frequency range from 20 to 2000 Hz. The data was stored by digitizing each spectral plot by tracing with the graphics tablet. The digitized data was statistically analyzed and the resulting 97.5% probability levels were stored on tape along with the appropriate structural parameters. Standard extrapolation procedures were programmed for prediction of component random vibration test criteria for new launch vehicle and payload configurations. This automated vibroacoustic data bank system greatly enhances the speed and accuracy of formulating vibration test criteria. In the future, the data bank will be expanded to include all data acquired from the space shuttle flight test program.

Experimental and theoretical investigation of an impact vibration harvester with triboelectric transduction

NASA Astrophysics Data System (ADS)

Ibrahim, Alwathiqbellah; Ramini, Abdallah; Towfighian, Shahrzad

2018-03-01

There has been remarkable interest in triboelectric mechanisms because of their high efficiency, wide availability, and low-cost generation of sustainable power. Using impact vibrations, we introduce piece-wise stiffness to the system to enlarge frequency bandwidth. The triboelectric layers consist of Aluminum, which also serves as an electrode, and Polydimethylsiloxane (PDMS) with micro semi-cylindrical patterns. At the bottom of the PDMS layer, there is another Al electrode. The layers are sandwiched between the center mass of a clamped-clamped beam and its base. The center mass enhances the impact force on the triboelectric layers subjected to external vibrations. Upon impact, alternating current, caused by the contact electrification and electrostatic induction, flows between the Al electrodes. Because of the impact, the equivalent stiffness of the structure increases and as a result, the frequency bandwidth gets wider. The output voltage and power reach as large as 5.5 V, 15 μW, respectively at 0.8 g vibrational amplitude. In addition, we report how the surface charge density increases with the excitation levels. The analysis delineates the interactions between impact vibrations and triboelectric transductions. The ability of the system to achieve wider bandwidth paves the way for efficient triboelectric vibrational energy harvesters.

Chapter C. The Loma Prieta, California, Earthquake of October 17, 1989 - Building Structures

USGS Publications Warehouse

Çelebi, Mehmet

1998-01-01

Several approaches are used to assess the performance of the built environment following an earthquake -- preliminary damage surveys conducted by professionals, detailed studies of individual structures, and statistical analyses of groups of structures. Reports of damage that are issued by many organizations immediately following an earthquake play a key role in directing subsequent detailed investigations. Detailed studies of individual structures and statistical analyses of groups of structures may be motivated by particularly good or bad performance during an earthquake. Beyond this, practicing engineers typically perform stress analyses to assess the performance of a particular structure to vibrational levels experienced during an earthquake. The levels may be determined from recorded or estimated ground motions; actual levels usually differ from design levels. If a structure has seismic instrumentation to record response data, the estimated and recorded response and behavior of the structure can be compared.

Study on Wind-induced Vibration and Fatigue Life of Cable-stayed Flexible Antenna

NASA Astrophysics Data System (ADS)

He, Kongde; He, Xuehui; Fang, Zifan; Zheng, Xiaowei; Yu, Hongchang

2018-03-01

The cable-stayed flexible antenna is a large-span space structure composed of flexible multibody, with low frequency of vibration, vortex-induced resonance can occur under the action of Stochastic wind, and a larger amplitude is generated when resonance occurs. To solve this problem, based on the theory of vortex-induced vibration, this paper analyzes the vortex-induced vibration of a cable-stayed flexible antenna under the action of Wind. Based on the sinusoidal force model and Autoregressive Model (AR) method, the vortex-induced force is simulated, then the fatigue analysis of the structure is based on the linear fatigue cumulative damage principle and the rain-flow method. The minimum fatigue life of the structure is calculated to verify the vibration fatigue performance of the structure.

Planning, creating and documenting a NASTRAN finite element model of a modern helicopter

NASA Technical Reports Server (NTRS)

Gabal, R.; Reed, D.; Ricks, R.; Kesack, W.

1985-01-01

Mathematical models based on the finite element method of structural analysis as embodied in the NASTRAN computer code are widely used by the helicopter industry to calculate static internal loads and vibration of airframe structure. The internal loads are routinely used for sizing structural members. The vibration predictions are not yet relied on during design. NASA's Langley Research Center sponsored a program to conduct an application of the finite element method with emphasis on predicting structural vibration. The Army/Boeing CH-47D helicopter was used as the modeling subject. The objective was to engender the needed trust in vibration predictions using these models and establish a body of modeling guides which would enable confident future prediction of airframe vibration as part of the regular design process.

Linear array transducer for high-power airborne ultrasound using flextensional structure

NASA Astrophysics Data System (ADS)

Yamamoto, Jun; Mizuno, Yosuke; Tabaru, Marie; Nakamura, Kentaro

2015-07-01

To change the direction of ultrasonic irradiation without moving a transducer, a high-power airborne ultrasonic transducer for a one-dimensional phased array system was designed and tested. A flextensional element transducer with higher-mode bending vibration was fabricated to obtain a high vibration amplitude over a wide aperture, where a phase-compensating stepped structure was employed. The width of the main lobe at half maximum and the sidelobe level were measured to be 14.3 deg and 0.78, respectively. The maximal sound pressure of 132 dB (0 dB re. 0.02 mPa) was obtained under the applied voltage of 4.0 V. The beam steering characteristics of a phased array using eight elements were compared with the simple theory.

Global optimization of small bimetallic Pd-Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level.

PubMed

Aslan, Mikail; Davis, Jack B A; Johnston, Roy L

2016-03-07

The global optimisation of small bimetallic PdCo binary nanoalloys are systematically investigated using the Birmingham Cluster Genetic Algorithm (BCGA). The effect of size and composition on the structures, stability, magnetic and electronic properties including the binding energies, second finite difference energies and mixing energies of Pd-Co binary nanoalloys are discussed. A detailed analysis of Pd-Co structural motifs and segregation effects is also presented. The maximal mixing energy corresponds to Pd atom compositions for which the number of mixed Pd-Co bonds is maximised. Global minimum clusters are distinguished from transition states by vibrational frequency analysis. HOMO-LUMO gap, electric dipole moment and vibrational frequency analyses are made to enable correlation with future experiments.

Vibration Propagation in Spider Webs

NASA Astrophysics Data System (ADS)

Hatton, Ross; Otto, Andrew; Elias, Damian

Due to their poor eyesight, spiders rely on web vibrations for situational awareness. Web-borne vibrations are used to determine the location of prey, predators, and potential mates. The influence of web geometry and composition on web vibrations is important for understanding spider's behavior and ecology. Past studies on web vibrations have experimentally measured the frequency response of web geometries by removing threads from existing webs. The full influence of web structure and tension distribution on vibration transmission; however, has not been addressed in prior work. We have constructed physical artificial webs and computer models to better understand the effect of web structure on vibration transmission. These models provide insight into the propagation of vibrations through the webs, the frequency response of the bare web, and the influence of the spider's mass and stiffness on the vibration transmission patterns. Funded by NSF-1504428.

Method and apparatus for minimizing multiple degree of freedom vibration transmission between two regions of a structure

NASA Technical Reports Server (NTRS)

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

1992-01-01

Arrays of actuators are affixed to structural elements to impede the transmission of vibrational energy. A single pair is used to provide control of bending and extensional waves and two pairs are used to control torsional motion. The arrays are applied to a wide variety of structural elements such as a beam structure that is part of a larger framework that may or may not support a rigid or non-rigid skin. Electrical excitation is applied to the actuators that generate forces on the structure. These electrical inputs may be adjusted in their amplitude and phase by a controller in communication with appropriate vibrational wave sensors to impede the flow of vibrational power in all of the above mentioned wave forms beyond the actuator location. Additional sensor elements can be used to monitor the performance and adjust the electrical inputs to maximize the attenuation of vibrational energy.

Comparison of Annoyance from Railway Noise and Railway Vibration.

PubMed

Ögren, Mikael; Gidlöf-Gunnarsson, Anita; Smith, Michael; Gustavsson, Sara; Persson Waye, Kerstin

2017-07-19

The aim of this study is to compare vibration exposure to noise exposure from railway traffic in terms of equal annoyance, i.e., to determine when a certain noise level is equally annoying as a corresponding vibration velocity. Based on questionnaire data from the Train Vibration and Noise Effects (TVANE) research project from residential areas exposed to railway noise and vibration, the dose response relationship for annoyance was estimated. By comparing the relationships between exposure and annoyance for areas both with and without significant vibration exposure, the noise levels and vibration velocities that had an equal probability of causing annoyance was determined using logistic regression. The comparison gives a continuous mapping between vibration velocity in the ground and a corresponding noise level at the facade that are equally annoying. For equivalent noise level at the facade compared to maximum weighted vibration velocity in the ground the probability of annoyance is approximately 20% for 59 dB or 0.48 mm/s, and about 40% for 63 dB or 0.98 mm/s.

NASTRAN forced vibration analysis of rotating cyclic structures

NASA Technical Reports Server (NTRS)

Elchuri, V.; Smith, G. C. C.; Gallo, A. M.

1983-01-01

Theoretical aspects of a new capability developed and implemented in NASTRAN level 17.7 to analyze forced vibration of a cyclic structure rotating about its axis of symmetry are presented. Fans, propellers, and bladed shrouded discs of turbomachines are some examples of such structures. The capability includes the effects of Coriolis and centripetal accelerations on the rotating structure which can be loaded with: (1) directly applied loads moving with the structure and (2) inertial loas due to the translational acceleration of the axis of rotation (''base' acceleration). Steady-state sinusoidal or general periodic loads are specified to represent: (1) the physical loads on various segments of the complete structure, or (2) the circumferential harmonic components of the loads in (1). The cyclic symmetry feature of the rotating structure is used in deriving and solving the equations of forced motion. Consequently, only one of the cyclic sectors is modelled and analyzed using finite elements, yielding substantial savings in the analysis cost. Results, however, are obtained for the entire structure. A tuned twelve bladed disc example is used to demonstrate the various features of the capability.

Theory and Normal Mode Analysis of Change in Protein Vibrational Dynamics on Ligand Binding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mortisugu, Kei; Njunda, Brigitte; Smith, Jeremy C

2009-12-01

The change of protein vibrations on ligand binding is of functional and thermodynamic importance. Here, this process is characterized using a simple analytical 'ball-and-spring' model and all-atom normal-mode analysis (NMA) of the binding of the cancer drug, methotrexate (MTX) to its target, dihydrofolate reductase (DHFR). The analytical model predicts that the coupling between protein vibrations and ligand external motion generates entropy-rich, low-frequency vibrations in the complex. This is consistent with the atomistic NMA which reveals vibrational softening in forming the DHFR-MTX complex, a result also in qualitative agreement with neutron-scattering experiments. Energy minimization of the atomistic bound-state (B) structure whilemore » gradually decreasing the ligand interaction to zero allows the generation of a hypothetical 'intermediate' (I) state, without the ligand force field but with a structure similar to that of B. In going from I to B, it is found that the vibrational entropies of both the protein and MTX decrease while the complex structure becomes enthalpically stabilized. However, the relatively weak DHFR:MTX interaction energy results in the net entropy gain arising from coupling between the protein and MTX external motion being larger than the loss of vibrational entropy on complex formation. This, together with the I structure being more flexible than the unbound structure, results in the observed vibrational softening on ligand binding.« less

Normal and reversed supramolecular chirality of insulin fibrils probed by vibrational circular dichroism at the protofilament level of fibril structure.

PubMed

Kurouski, Dmitry; Dukor, Rina K; Lu, Xuefang; Nafie, Laurence A; Lednev, Igor K

2012-08-08

Fibrils are β-sheet-rich aggregates that are generally composed of several protofibrils and may adopt variable morphologies, such as twisted ribbons or flat-like sheets. This polymorphism is observed for many different amyloid associated proteins and polypeptides. In a previous study we proposed the existence of another level of amyloid polymorphism, namely, that associated with fibril supramolecular chirality. Two chiral polymorphs of insulin, which can be controllably grown by means of small pH variations, exhibit opposite signs of vibrational circular dichroism (VCD) spectra. Herein, using atomic force microscopy (AFM) and scanning electron microscopy (SEM), we demonstrate that indeed VCD supramolecular chirality is correlated not only by the apparent fibril handedness but also by the sense of supramolecular chirality from a deeper level of chiral organization at the protofilament level of fibril structure. Our microscopic examination indicates that normal VCD fibrils have a left-handed twist, whereas reversed VCD fibrils are flat-like aggregates with no obvious helical twist as imaged by atomic force microscopy or scanning electron microscopy. A scheme is proposed consistent with observed data that features a dynamic equilibrium controlled by pH at the protofilament level between left- and right-twist fibril structures with distinctly different aggregation pathways for left- and right-twisted protofilaments. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules

NASA Astrophysics Data System (ADS)

Garner, Scott M.; Miller, Terry A.

2017-06-01

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

Accurate anharmonic zero-point energies for some combustion-related species from diffusion Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.

Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).

Accurate Anharmonic Zero-Point Energies for Some Combustion-Related Species from Diffusion Monte Carlo.

PubMed

Harding, Lawrence B; Georgievskii, Yuri; Klippenstein, Stephen J

2017-06-08

Full-dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion-related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic zero-point energies. The resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower-level electronic structure methods (B3LYP and MP2).

Accurate anharmonic zero-point energies for some combustion-related species from diffusion Monte Carlo

DOE PAGES

Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.

2017-05-17

Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).

Transverse Resonant Vibration of Non-Bearing Structures Caused by Wind

NASA Astrophysics Data System (ADS)

Jendzelovsky, Norbert; Antal, Roland

2017-10-01

Nowadays, there are increasing use of very thin, subtle and light structures in the field of building constructions. We can find such a structures as part of roofs or design facades. By using these lamellas like, non-bearing structures as a part of architectural design of buildings, it is necessary to consider wind effects on these structures. Subtle structures of this type are prone to vibration in the transverse direction of the wind flow. The fact that the vibration occurs depends on wind parameters (wind velocity, direction of an air flow) and it also depends on the properties of lamella (shape, length, mass, natural frequency, support type). The principal idea of this article is to show susceptibility of lamellae-like structures to transverse resonant vibration caused by the phenomenon called Von Karman effect. Comparison of susceptibility to transverse resonance vibration was analysed on the different shapes of lamellas loaded by different wind speed. Analysis was based on usage of empirically derived equations. Von Karman effect arise from wind flow past an object. Turbulence in the form of vortices are formed at the object and shed into the flowing stream intermittently. The potential problem is that this turbulence can induce vibrations into the lamella itself. In terms of this vibration problem, two frequencies are interesting. Von Karman shedding frequency is the frequency at which the vortices are formed and shed at the object. The vortex-shedding frequency increases with the velocity of the wind flow and decreases with the size of the object. Natural frequency of the object depends on the construction of the lamella itself. Parameters of lamella as a shape, mass, length, elasticity modulus of material and support types are directly involved in the calculation of natural frequency. Worst case scenario in the term of transverse resonant vibration occurs when the natural frequency of lamella is equal to the vortex-shedding frequency. In this case vibration rises and structure can be snapped or deformed permanently. In the long term vibration, fatigue stress can be significant. At the conclusion hazardous wind speed and recommendations for different shapes and parameters of lamellas are shown.

Investigating buried polymer interfaces using sum frequency generation vibrational spectroscopy

PubMed Central

Chen, Zhan

2010-01-01

This paper reviews recent progress in the studies of buried polymer interfaces using sum frequency generation (SFG) vibrational spectroscopy. Both buried solid/liquid and solid/solid interfaces involving polymeric materials are discussed. SFG studies of polymer/water interfaces show that different polymers exhibit varied surface restructuring behavior in water, indicating the importance of probing polymer/water interfaces in situ. SFG has also been applied to the investigation of interfaces between polymers and other liquids. It has been found that molecular interactions at such polymer/liquid interfaces dictate interfacial polymer structures. The molecular structures of silane molecules, which are widely used as adhesion promoters, have been investigated using SFG at buried polymer/silane and polymer/polymer interfaces, providing molecular-level understanding of polymer adhesion promotion. The molecular structures of polymer/solid interfaces have been examined using SFG with several different experimental geometries. These results have provided molecular-level information about polymer friction, adhesion, interfacial chemical reactions, interfacial electronic properties, and the structure of layer-by-layer deposited polymers. Such research has demonstrated that SFG is a powerful tool to probe buried interfaces involving polymeric materials, which are difficult to study by conventional surface sensitive analytical techniques. PMID:21113334

Development Testing and Subsequent Failure Investigation of a Spring Strut Mechanism

NASA Technical Reports Server (NTRS)

Dervan, Jared; Robertson, Brandon; Staab, Lucas; Culberson, Michael

2014-01-01

Commodities are transferred between the Multi-Purpose Crew Vehicle (MPCV) crew module (CM) and service module (SM) via an external umbilical that is driven apart with spring-loaded struts after the structural connection is severed. The spring struts must operate correctly for the modules to separate safely. There was no vibration testing of strut development units scoped in the MPCV Program Plan; therefore, any design problems discovered as a result of vibration testing would not have been found until the component qualification. The NASA Engineering and Safety Center (NESC) and Lockheed Martin (LM) performed random vibration testing on a single spring strut development unit to assess its ability to withstand qualification level random vibration environments. Failure of the strut while exposed to random vibration resulted in a follow-on failure investigation, design changes, and additional development tests. This paper focuses on the results of the failure investigations including identified lessons learned and best practices to aid in future design iterations of the spring strut and to help other mechanism developers avoid similar pitfalls.

Optimal design of a beam-based dynamic vibration absorber using fixed-points theory

NASA Astrophysics Data System (ADS)

Hua, Yingyu; Wong, Waion; Cheng, Li

2018-05-01

The addition of a dynamic vibration absorber (DVA) to a vibrating structure could provide an economic solution for vibration suppressions if the absorber is properly designed and located onto the structure. A common design of the DVA is a sprung mass because of its simple structure and low cost. However, the vibration suppression performance of this kind of DVA is limited by the ratio between the absorber mass and the mass of the primary structure. In this paper, a beam-based DVA (beam DVA) is proposed and optimized for minimizing the resonant vibration of a general structure. The vibration suppression performance of the proposed beam DVA depends on the mass ratio, the flexural rigidity and length of the beam. In comparison with the traditional sprung mass DVA, the proposed beam DVA shows more flexibility in vibration control design because it has more design parameters. With proper design, the beam DVA's vibration suppression capability can outperform that of the traditional DVA under the same mass constraint. The general approach is illustrated using a benchmark cantilever beam as an example. The receptance theory is introduced to model the compound system consisting of the host beam and the attached beam-based DVA. The model is validated through comparisons with the results from Abaqus as well as the Transfer Matrix method (TMM) method. Fixed-points theory is then employed to derive the analytical expressions for the optimum tuning ratio and damping ratio of the proposed beam absorber. A design guideline is then presented to choose the parameters of the beam absorber. Comparisons are finally presented between the beam absorber and the traditional DVA in terms of the vibration suppression effect. It is shown that the proposed beam absorber can outperform the traditional DVA by following this proposed guideline.

Vibrational and structural study of onopordopicrin based on the FTIR spectrum and DFT calculations.

PubMed

Chain, Fernando E; Romano, Elida; Leyton, Patricio; Paipa, Carolina; Catalán, César A N; Fortuna, Mario; Brandán, Silvia Antonia

2015-01-01

In the present work, the structural and vibrational properties of the sesquiterpene lactone onopordopicrin (OP) were studied by using infrared spectroscopy and density functional theory (DFT) calculations together with the 6-31G(∗) basis set. The harmonic vibrational wavenumbers for the optimized geometry were calculated at the same level of theory. The complete assignment of the observed bands in the infrared spectrum was performed by combining the DFT calculations with Pulay's scaled quantum mechanical force field (SQMFF) methodology. The comparison between the theoretical and experimental infrared spectrum demonstrated good agreement. Then, the results were used to predict the Raman spectrum. Additionally, the structural properties of OP, such as atomic charges, bond orders, molecular electrostatic potentials, characteristics of electronic delocalization and topological properties of the electronic charge density were evaluated by natural bond orbital (NBO), atoms in molecules (AIM) and frontier orbitals studies. The calculated energy band gap and the chemical potential (μ), electronegativity (χ), global hardness (η), global softness (S) and global electrophilicity index (ω) descriptors predicted for OP low reactivity, higher stability and lower electrophilicity index as compared with the sesquiterpene lactone cnicin containing similar rings. Copyright © 2015 Elsevier B.V. All rights reserved.

Energy harvesting from electrospun piezoelectric nanofibers for structural health monitoring of a cable-stayed bridge

NASA Astrophysics Data System (ADS)

Maruccio, Claudio; Quaranta, Giuseppe; De Lorenzis, Laura; Monti, Giorgio

2016-08-01

Wireless monitoring could greatly impact the fields of structural health assessment and infrastructure asset management. A common problem to be tackled in wireless networks is the electric power supply, which is typically provided by batteries replaced periodically. A promising remedy for this issue would be to harvest ambient energy. Within this framework, the present paper proposes to harvest ambient-induced vibrations of bridge structures using a new class of piezoelectric textiles. The considered case study is an existing cable-stayed bridge located in Italy along a high-speed road that connects Rome and Naples, for which a recent monitoring campaign has allowed to record the dynamic responses of deck and cables. Vibration measurements have been first elaborated to provide a comprehensive dynamic assessment of this infrastructure. In order to enhance the electric energy that can be converted from ambient vibrations, the considered energy harvester exploits a power generator built using arrays of electrospun piezoelectric nanofibers. A finite element analysis is performed to demonstrate that such power generator is able to provide higher energy levels from recorded dynamic loading time histories than a standard piezoelectric energy harvester. Its feasibility for bridge health monitoring applications is finally discussed.

The growth of railway ground vibration problems - A review.

PubMed

Connolly, David P; Marecki, Grzegorz P; Kouroussis, Georges; Thalassinakis, Ioannis; Woodward, Peter K

2016-10-15

Ground-borne noise and vibration from railway lines can cause human distress/annoyance, and also negatively affect real estate property values. Therefore this paper analyses a collection of technical ground-borne noise and vibration reports, detailing commercial vibration assessments undertaken at 1604 railway track sections, in 9 countries across the world. A wide range of rail projects are considered including light rail, tram lines, underground/tunnelled lines, freight, conventional rail and high speed rail. It documents the rise in ground-borne vibration problems and trends in the prediction industry, with the aim of informing the current research area. Firstly, the reports are analysed chronologically and it is found that railway vibration is a growing global concern, and as such, assessments have become more prevalent. International assessment metrics are benchmarked and it is found that velocity decibels (VdB), vibration dose value (VDV) and peak particle velocity (PPV) are the most commonly used methods of assessment. Furthermore, to predict vibration levels, the physical measurement of frequency transfer functions is preferential to numerical modelling. Results from the reports show that ground vibration limits are exceeded in 44% of assessments, and that ground-borne noise limits are exceeded in 31%. Moreover, mitigation measures were required on approximately 50% of projects, revealing that ground-borne noise and vibration is a widespread railroad engineering challenge. To solve these problems, the most commonly used abatement strategy is a modification of the railtrack structure (active mitigation), rather than the implementation of a more passive solution in the far-field. Copyright © 2015 Elsevier B.V. All rights reserved.

A hybrid SEA/modal technique for modeling structural-acoustic interior noise in rotorcraft.

PubMed

Jayachandran, V; Bonilha, M W

2003-03-01

This paper describes a hybrid technique that combines Statistical Energy Analysis (SEA) predictions for structural vibration with acoustic modal summation techniques to predict interior noise levels in rotorcraft. The method was applied for predicting the sound field inside a mock-up of the interior panel system of the Sikorsky S-92 helicopter. The vibration amplitudes of the frame and panel systems were predicted using a detailed SEA model and these were used as inputs to the model of the interior acoustic space. The spatial distribution of the vibration field on individual panels, and their coupling to the acoustic space were modeled using stochastic techniques. Leakage and nonresonant transmission components were accounted for using space-averaged values obtained from a SEA model of the complete structural-acoustic system. Since the cabin geometry was quite simple, the modeling of the interior acoustic space was performed using a standard modal summation technique. Sound pressure levels predicted by this approach at specific microphone locations were compared with measured data. Agreement within 3 dB in one-third octave bands above 40 Hz was observed. A large discrepancy in the one-third octave band in which the first acoustic mode is resonant (31.5 Hz) was observed. Reasons for such a discrepancy are discussed in the paper. The developed technique provides a method for modeling helicopter cabin interior noise in the frequency mid-range where neither FEA nor SEA is individually effective or accurate.

Precision spectroscopy of high rotational states in H2 investigated by Doppler-free two-photon laser spectroscopy in the EF 1Σg+-X 1Σg+ system

NASA Astrophysics Data System (ADS)

Dickenson, G. D.; Salumbides, E. J.; Niu, M.; Jungen, Ch.; Ross, S. C.; Ubachs, W.

2012-09-01

Recently a high precision spectroscopic investigation of the EF1Σg+-X1Σg+ system of molecular hydrogen was reported yielding information on QED and relativistic effects in a sequence of rotational quantum states in the X1Σg+ ground state of the H2 molecule [Salumbides , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.107.043005 107, 043005 (2011)]. The present paper presents a more detailed description of the methods and results. Furthermore, the paper serves as a stepping stone towards a continuation of the previous study by extending the known level structure of the EF1Σg+ state to highly excited rovibrational levels through Doppler-free two-photon spectroscopy. Based on combination differences between vibrational levels in the ground state, and between three rotational branches (O, Q, and S branches) assignments of excited EF1Σg+ levels, involving high vibrational and rotational quantum numbers, can be unambiguously made. For the higher EF1Σg+ levels, where no combination differences are available, calculations were performed using the multichannel quantum defect method, for a broad class of vibrational and rotational levels up to J=19. These predictions were used for assigning high-J EF levels and are found to be accurate within 5 cm-1.

Active Vibration Control of a Railway Vehicle Carbody Using Piezoelectric Elements

NASA Astrophysics Data System (ADS)

Molatefi, Habibollah; Ayoubi, Pejman; Mozafari, Hozhabr

2017-07-01

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

Spectroscopic study on deuterated benzenes. III. Vibronic structure and dynamics in the S1 state

NASA Astrophysics Data System (ADS)

Kunishige, Sachi; Katori, Toshiharu; Kawabata, Megumi; Yamanaka, Takaya; Baba, Masaaki

2015-12-01

We observed the fluorescence excitation spectra and mass-selected resonance enhanced multiphoton ionization (REMPI) excitation spectra for the 6 01 , 6 01 10 1 , and 6 01 10 2 bands of the S1←S0 transition of jet-cooled deuterated benzene and assigned the vibronic bands of C6D6 and C6HD5. The 60 1 10 n (n = 0, 1, 2) and 00 0 transition energies were found to be dependent only on the number of D atoms (ND), which was reflected by the zero-point energy of each H/D isotopomer. In some isotopomers some bands, such as those of out-of-plane vibrations mixed with 611n, make the spectra complex. These included the 611021n level or combination bands with ν12 which are allowed because of reduced molecular symmetry. From the lifetime measurements of each vibronic band, some enhancement of the nonradiative intramolecular vibrational redistribution (IVR) process was observed. It was also found that the threshold excess energy of "channel three" was higher than the 6112 levels, which were similar for all the H/D isotopomers. We suggest that the channel three nonradiative process could be caused mainly by in-plane processes such as IVR and internal conversion at the high vibrational levels in the S1 state of benzene, although the out-of-plane vibrations might contribute to some degree.

Structural and vibrational characterization of sugar arabinitol structures employing micro-Raman spectra and DFT calculations

NASA Astrophysics Data System (ADS)

Hédoux, Alain; Guinet, Yannick; Carpentier, Laurent; Paccou, Laurent; Derollez, Patrick; Brandán, Silvia Antonia

2017-06-01

In this work, three monomeric forms of arabinitol, usually named arabitol, and their dimeric species have been structural and vibrationally studied by using the micro-Raman spectra in the solid phase accomplished with theoretical calculations based on the theory of the functional of the density (DFT). The hybrid B3LYP method was used for all the calculations together with the 6-31G* and 6-311++g** basis sets. Two different L structures with minima energies were predicted in accordance to the two polymorphic structures revealed by recent X-ray diffraction experiments. The studies by natural bond orbital (NBO) calculations reveals high stabilities of the L form as compared with the D one but the topological properties by using the atoms in molecules (AIM) suggest a higher stability of the D form due to a strong H bond interactions. The scaled mechanical force fields (SQMFF) procedure was used to perform the complete vibrational assignments for the monomeric forms and their dimer. On the other hand, the similarity in the gap values computed for the three forms of arabitol with those observed for sucrose, trehalose, maltose and lactose in gas phase at the same level of theory could partially explain the sweetening property of this alcohol. In addition, the influences of the size of the basis set on some properties were evidenced.

Molecular structure, nonlinear optical studies and spectroscopic analysis of chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one by DFT calculations

NASA Astrophysics Data System (ADS)

Kumar, Amit; Kumar, Rajesh; Gupta, Archana; Tandon, Poonam; D'silva, E. Deepak

2017-12-01

A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of nonlinear optical chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP). The FT-IR and FT-Raman spectra of the molecule in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP level with 6-311++G (d,p) basis set have been carried out to derive useful information about the molecular structure and to assign the relevant electronic and vibrational features. These calculations reveal that the optimized geometry closely resembles the experimental XRD data. The vibrational spectra were analyzed on the basis of the potential energy distribution (PED) of each vibrational mode, which allowed us to obtain a quantitative as well as qualitative interpretation of FT-IR and FT-Raman spectra. The UV-vis spectrum was recorded in methanol solution. The excited state properties have been determined by TD-DFT method and the effect of solvent was analyzed by PCM model. The most prominent transition corresponds to π→π∗. The reactivity parameters as chemical potential, global hardness, and electrophilicity index have also been calculated. To provide an explicit assignment and analysis of 13C and 1H NMR spectra, theoretical calculations on chemical shift of the title compound were done through GIAO method at B3LYP/6-311++G (d,p) level. The Mulliken's population analysis shows one of the simplest pictures of charge distribution. The standard statistical thermodynamic functions like heat capacity at constant pressure (Cop,m), entropy (Som) and enthalpy (Hom) were obtained from the theoretical harmonic frequencies for the optimized molecule. The nonlinear optical properties of title molecule are also addressed theoretically. Two contributions, vibrational and electronic, to the electrical properties polarizability and first order hyperpolarizability of 3Br4MSP have been evaluated using the self-consistent field wave functions within the double harmonic oscillator approximation.

Decreasing sound and vibration during ground transport of infants with very low birth weight.

PubMed

Prehn, J; McEwen, I; Jeffries, L; Jones, M; Daniels, T; Goshorn, E; Marx, C

2015-02-01

To measure the effectiveness of modifications to reduce sound and vibration during interhospital ground transport of a simulated infant with very low birth weight (VLBW) and a gestational age of 30 weeks, a period of high susceptibility to germinal matrix and intraventricular hemorrhage. Researchers measured vibration and sound levels during infant transport, and compared levels after modifications to the transport incubator mattresses, addition of vibration isolators under incubator wheels, addition of mass to the incubator mattress and addition of incubator acoustic cover. Modifications did not decrease sound levels inside the transport incubator during transport. The combination of a gel mattress over an air chambered mattress was effective in decreasing vibration levels for the 1368 g simulated infant. Transport mattress effectiveness in decreasing vibration is influenced by infant weight. Modifications that decrease vibration for infants weighing 2000 g are not effective for infants with VLBW. Sound levels are not affected by incubator covers, suggesting that sound is transmitted into the incubator as a low-frequency vibration through the incubator's contact with the ambulance. Medical transportation can apply industrial methods of vibration and sound control to protect infants with VLBW from excessive physical strain of transport during vulnerable periods of development.

High force vibration testing with wide frequency range

DOEpatents

Romero, Edward F.; Jepsen, Richard A.; Gregory, Danny Lynn

2013-04-02

A shaker assembly for vibration testing includes first and second shakers, where the first shaker includes a piezo-electric material for generating vibration. A support structure permits a test object to be supported for vibration of the test object by both shakers. An input permits an external vibration controller to control vibration of the shakers.

Vibro-acoustic propagation of gear dynamics in a gear-bearing-housing system

NASA Astrophysics Data System (ADS)

Guo, Yi; Eritenel, Tugan; Ericson, Tristan M.; Parker, Robert G.

2014-10-01

This work developed a computational process to predict noise radiation from gearboxes. It developed a system-level vibro-acoustic model of an actual gearbox, including gears, bearings, shafts, and housing structure, and compared the results to experiments. The meshing action of gear teeth causes vibrations to propagate through shafts and bearings to the housing radiating noise. The vibration excitation from the gear mesh and the system response were predicted using finite element and lumped-parameter models. From these results, the radiated noise was calculated using a boundary element model of the housing. Experimental vibration and noise measurements from the gearbox confirmed the computational predictions. The developed tool was used to investigate the influence of standard rolling element and modified journal bearings on gearbox radiated noise.

Inertia-Wheel Vibration-Damping System

NASA Technical Reports Server (NTRS)

Fedor, Joseph V.

1990-01-01

Proposed electromechanical system would damp vibrations in large, flexible structure. In active vibration-damping system motors and reaction wheels at tips of appendages apply reaction torques in response to signals from accelerometers. Velocity signal for vibrations about one axis processes into control signal to oppose each of n vibrational modes. Various modes suppressed one at a time. Intended primarily for use in spacecraft that has large, flexible solar panels and science-instrument truss assembly, embodies principle of control interesting in its own right and adaptable to terrestrial structures, vehicles, and instrument platforms.

The influence of various test plans on mission reliability. [for Shuttle Spacelab payloads

NASA Technical Reports Server (NTRS)

Stahle, C. V.; Gongloff, H. R.; Young, J. P.; Keegan, W. B.

1977-01-01

Methods have been developed for the evaluation of cost effective vibroacoustic test plans for Shuttle Spacelab payloads. The shock and vibration environments of components have been statistically represented, and statistical decision theory has been used to evaluate the cost effectiveness of five basic test plans with structural test options for two of the plans. Component, subassembly, and payload testing have been performed for each plan along with calculations of optimum test levels and expected costs. The tests have been ranked according to both minimizing expected project costs and vibroacoustic reliability. It was found that optimum costs may vary up to $6 million with the lowest plan eliminating component testing and maintaining flight vibration reliability via subassembly tests at high acoustic levels.

On the vibration properties of composite materials and structures

NASA Astrophysics Data System (ADS)

Lu, Y. P.; Neilson, H. C.; Roscoe, A. J.

1993-01-01

In recent years, there has been a widespread assumption that composite materials and structures offer enhanced vibration and acoustic properties. This assumption has to be evaluated or validated. The objective of this article is to address the subject of vibration characteristics and the related force transmissibility properties of composite structures. For a given composite beam made of Hercules AS4/3501-6 graphite/epoxy with a layered structure sequence of (0,0,30,-30)(sub 6S), resonance frequencies, structural damping, responses, impedances, and force transmissibility properties are determined, discussed, and compared with those of a steel beam. This article proposes a procedure to evaluate the vibration properties of individual composites. The criterion defined for performance comparison between composite materials and conventional materials is also discussed.

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

NASA Astrophysics Data System (ADS)

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.

Development of a low-cost, low micro-vibration CMG for small agile satellite applications

NASA Astrophysics Data System (ADS)

Kawak, B. J.

2017-02-01

The agility of the spacecraft which refers to the spacecraft's ability to execute fast and accurate manoeuvers within a fixed period of time, is a key satellite parameter. The spacecraft' s agility is directly proportional to the spacecraft actuators' output torque. For high torque inertial actuators (>0.5 Nm), Control Moment Gyroscope (CMG) exhibits better performances in terms of mass and electrical power consumption than reaction wheels. However, in addition to the complex steering law required to avoid CMG singularities, one of the reasons why CMGs are not widely used is also due to their high micro-vibration emission which may interfere and disrupt the spacecraft' s sensitive instruments such as optical payloads. In this paper, an innovative two-stage viscoelastic isolation system has been designed and implemented in a new low micro-vibration CMG prototype. The first stage of the damping system acts at bearing level to attenuate the possible shock vibrations while the second stage acts at mechanism level to attenuate the structural resonances and motor noise. The developed CMG enables to combine high actuator output torque with a low micro-vibration signature. The viscoelastic damping system is cost effective as it is a fully passive system which requires no thermal control and no electronics. Furthermore, the attenuation provided by this innovative two stage damping system can reach a slope up to -80 dB/dec which leads to a Mini-CMG micro-vibration signature lower than similar output torque reaction wheels not equipped with a damping system.

Full dimensional Franck-Condon factors for the acetylene A{sup ~} {sup 1}A{sub u}—X{sup ~1}Σ{sub g}{sup +} transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, G. Barratt, E-mail: barratt@mit.edu; Baraban, Joshua H.; Field, Robert W.

2014-10-07

A full-dimensional Franck-Condon calculation has been applied to the A{sup ~} {sup 1}A{sub u}—X{sup ~1}Σ{sub g}{sup +} transition in acetylene in the harmonic normal mode basis. Details of the calculation are discussed in Part I of this series. To our knowledge, this is the first full-dimensional Franck-Condon calculation on a tetra-atomic molecule undergoing a linear-to-bent geometry change. In the current work, the vibrational intensity factors for levels involving excitation in ungerade vibrational modes are evaluated. Because the Franck-Condon integral accumulates away from the linear geometry, we have been able to treat the out-of-plane component of trans bend (ν{sub 4}{sup ′′}) in themore » linear X{sup ~} state in the rotational part of the problem, restoring the χ Euler angle and the a-axis Eckart conditions. A consequence of the Eckart conditions is that the out-of-plane component of ν{sub 4}{sup ′′} does not participate in the vibrational overlap integral. This affects the structure of the coordinate transformation and the symmetry of the vibrational wavefunctions used in the overlap integral, and results in propensity rules involving the bending modes of the X{sup ~} state that were not previously understood. We explain the origin of some of the unexpected propensities observed in IR-UV laser-induced fluorescence spectra, and we calculate emission intensities from bending levels of the A{sup ~} state into bending levels of the X{sup ~} state, using normal bending mode and local bending mode basis sets. Our calculations also reveal Franck-Condon propensities for the Cartesian components of the cis bend (ν{sub 5}{sup ′′}), and we predict that the best A{sup ~}-state vibrational levels for populating X{sup ~}-state levels with large amplitude bending motion localized in a single C–H bond (the acetylene↔vinylidene isomerization coordinate) involve a high degree of excitation in ν{sub 6}{sup ′} (cis-bend). Mode ν{sub 4}{sup ′} (torsion) populates levels with large amplitude counter-rotational motion of the two hydrogen atoms.« less

Vibration testing of the JE-M-604-4-IUE rocket motor (Thiokol P/N E 28639-03)

NASA Technical Reports Server (NTRS)

Alt, R. E.; Tosh, J. T.

1976-01-01

The NASA International Ultraviolet Explorer (IUE) rocket motor (TE-M-604-4), a solid fuel, spherical rocket motor, was vibration tested in the Impact, Vibration, and Acceleration (IVA) Test Unit of the von Karman Gas Dynamics Facility (VKF). The objective of the test program was to subject the motor to qualification levels of sinusoidal and random vibration prior to the altitude firing of the motor in the Propulsion Development Test Cell (T-3), Engine Test Facility (ETF), AEDC. The vibration testing consisted of a low level sine survey from 5 to 2,000 Hz, followed by a qualification level sine sweep and qualification level random vibration. A second low level sine survey followed the qualification level testing. This sequence of testing was accomplished in each of three orthogonal axes. No motor problems were observed due to the imposition of these dynamic environments.

Structure and orientation of interfacial proteins determined by sum frequency generation vibrational spectroscopy: method and application.

PubMed

Ye, Shuji; Wei, Feng; Li, Hongchun; Tian, Kangzhen; Luo, Yi

2013-01-01

In situ and real-time characterization of molecular structures and orientation of proteins at interfaces is essential to understand the nature of interfacial protein interaction. Such work will undoubtedly provide important clues to control biointerface in a desired manner. Sum frequency generation vibrational spectroscopy (SFG-VS) has been demonstrated to be a powerful technique to study the interfacial structures and interactions at the molecular level. This paper first systematically introduced the methods for the calculation of the Raman polarizability tensor, infrared transition dipole moment, and SFG molecular hyperpolarizability tensor elements of proteins/peptides with the secondary structures of α-helix, 310-helix, antiparallel β-sheet, and parallel β-sheet, as well as the methodology to determine the orientation of interfacial protein secondary structures using SFG amide I spectra. After that, recent progresses on the determination of protein structure and orientation at different interfaces by SFG-VS were then reviewed, which provides a molecular-level understanding of the structures and interactions of interfacial proteins, specially understanding the nature of driving force behind such interactions. Although this review has focused on analysis of amide I spectra, it will be expected to offer a basic idea for the spectral analysis of amide III SFG signals and other complicated molecular systems such as RNA and DNA. Copyright © 2013 Elsevier Inc. All rights reserved.

Application of an Instrumental and Computational Approach for Improving the Vibration Behavior of Structural Panels Using a Lightweight Multilayer Composite

PubMed Central

Sánchez, Alberto; García, Manuel; Sebastián, Miguel Angel; Camacho, Ana María

2014-01-01

This work presents a hybrid (experimental-computational) application for improving the vibration behavior of structural components using a lightweight multilayer composite. The vibration behavior of a flat steel plate has been improved by the gluing of a lightweight composite formed by a core of polyurethane foam and two paper mats placed on its faces. This composite enables the natural frequencies to be increased and the modal density of the plate to be reduced, moving about the natural frequencies of the plate out of excitation range, thereby improving the vibration behavior of the plate. A specific experimental model for measuring the Operating Deflection Shape (ODS) has been developed, which enables an evaluation of the goodness of the natural frequencies obtained with the computational model simulated by the finite element method (FEM). The model of composite + flat steel plate determined by FEM was used to conduct parametric study, and the most influential factors for 1st, 2nd and 3rd mode were identified using a multifactor analysis of variance (Multifactor-ANOVA). The presented results can be easily particularized for other cases, as it may be used in cycles of continuous improvement as well as in the product development at the material, piece, and complete-system levels. PMID:24618779

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thore, A., E-mail: andth@ifm.liu.se; Dahlqvist, M., E-mail: madah@ifm.liu.se, E-mail: bjoal@ifm.liu.se, E-mail: johro@ifm.liu.se; Alling, B., E-mail: madah@ifm.liu.se, E-mail: bjoal@ifm.liu.se, E-mail: johro@ifm.liu.se

2014-09-14

In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn₂GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants,more » the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn₂GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M₂AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.« less

Whole-body vibration exposure in sport: four relevant cases.

PubMed

Tarabini, Marco; Saggin, Bortolino; Scaccabarozzi, Diego

2015-01-01

This study investigates the whole-body vibration exposure in kite surfing, alpine skiing, snowboarding and cycling. The vibration exposure was experimentally evaluated following the ISO 2631 guidelines. Results evidenced that the most critical axis is the vertical one. The weighted vibration levels are always larger than 2.5 m/s(2) and the vibration dose values are larger than 25 m/s(1.75). The exposure limit values of the EU directive are reached after 8-37 min depending on the sport. The vibration magnitude is influenced by the athletes' speed, by their skill level and sometimes by the equipment. The large vibration values suggest that the practice of sport activities may be a confounding factor in the aetiology of vibration-related diseases. The vibration exposure in some sports is expected to be large, but has never been quantified in the literature. Results of experiments performed in cycling, alpine and water sports outlined vibration levels exceeding the EU standard limit values.

Temperature effect on the structural stabilities and electronic properties of X22H28 (X=C, Si and Ge) nanocrystals: A first-principles study

NASA Astrophysics Data System (ADS)

Deng, Xiao-Lin; Zhao, Yu-Jun; Wang, Ya-Ting; Liao, Ji-Hai; Yang, Xiao-Bao

2016-12-01

Based on ab initio molecular dynamic simulations, we have theoretically investigated the structural stabilities and electronic properties of X22H28 (X=C, Si, and Ge) nanocrystals, as a function of temperature with consideration of vibrational entropy effects. To compare the relative stabilities of X22H28 isomers, the vibration free energies are obtained according to the calculated phonon spectrum, where the typical modes are shown to be dominant to the structural stabilities. In addition, there is a significant gap reduction as the temperature increases from 0 K to 300 K, where the decrements are 0.2 /0.5 /0.6eV for C/Si/Ge nanocrystals, respectively. The dependence of energy gap on the variance of bond length is also analyzed according to the corresponding atomic attributions to the HOMO and LUMO levels.

Vibrational Spectroscopy of Fluoroformate, FCO2-, Trapped in Helium Nanodroplets.

PubMed

Thomas, Daniel A; Mucha, Eike; Gewinner, Sandy; Schöllkopf, Wieland; Meijer, Gerard; von Helden, Gert

2018-05-03

Fluoroformate, also known as carbonofluoridate, is an intriguing molecule readily formed by the reductive derivatization of carbon dioxide. In spite of its well-known stability, a detailed structural characterization of the isolated anion has yet to be reported. Presented in this work is the vibrational spectrum of fluoroformate obtained by infrared action spectroscopy of ions trapped in helium nanodroplets, the first application of this technique to a molecular anion. The experimental method yields narrow spectral lines, providing experimental constraints on the structure that can be accurately reproduced using high-level ab initio methods. In addition, two notable Fermi resonances between a fundamental and combination band are observed. The electrostatic potential map of fluoroformate reveals substantial charge density on fluorine as well as on the oxygen atoms, suggesting multiple sites for interaction with hydrogen bond donors and electrophiles, which may in turn lead to intriguing solvation structures and reaction pathways.

Structural and Dynamical Details of Biotin

NASA Astrophysics Data System (ADS)

Korter, Timothy; Dunmire, David; Romero, Danilo; Middleton, Chris; Jenkins, Tim; Hudson, Bruce; Hight Walker, Angela

2003-03-01

Biotin, one of the B vitamins, is a key cofactor of enzymes that transfer units of CO2. Chemically linked to a lysine residue via its carboxylic acid side chain, biotin exhibits incredible flexibility when performing its intraprotein transport role. Not only does Biotin play a critical role in gluconeogenesis, it also is commonly used throughout biotechnology research due to its strong binding affinity for attachment, tethering and labeling chemistries. Therefore, a detailed probe of the structure and dynamics of biotin is important both metabolically and to aid further research. Here, we used several vibrational techniques, THz, IR, Raman and Inelastic Neutron Scattering, to gain a comprehensive understanding of biotin's structure, flexibility and dynamics. Specifically our interests are in hydrogen bonding interactions, torsional vibrations, and conformational changes with varying environments, which frequently lie in the far-infrared region of the spectrum below 200 cm-1. Interpretation and comparison of our multi-technique data are guided by high-level ab initio calculations.

Comparison of Annoyance from Railway Noise and Railway Vibration

PubMed Central

Gidlöf-Gunnarsson, Anita; Gustavsson, Sara

2017-01-01

The aim of this study is to compare vibration exposure to noise exposure from railway traffic in terms of equal annoyance, i.e., to determine when a certain noise level is equally annoying as a corresponding vibration velocity. Based on questionnaire data from the Train Vibration and Noise Effects (TVANE) research project from residential areas exposed to railway noise and vibration, the dose response relationship for annoyance was estimated. By comparing the relationships between exposure and annoyance for areas both with and without significant vibration exposure, the noise levels and vibration velocities that had an equal probability of causing annoyance was determined using logistic regression. The comparison gives a continuous mapping between vibration velocity in the ground and a corresponding noise level at the facade that are equally annoying. For equivalent noise level at the facade compared to maximum weighted vibration velocity in the ground the probability of annoyance is approximately 20% for 59 dB or 0.48 mm/s, and about 40% for 63 dB or 0.98 mm/s. PMID:28753921

Investigation of Structural Re-ordering of Hydrogen Bonds in LiNbO3:Mg Crystals Around the Threshold Concentration of Magnesium

NASA Astrophysics Data System (ADS)

Sidorov, N. V.; Teplyakova, N. A.; Palatnikov, M. N.; Bobreva, L. A.

2017-09-01

Crystals of LiNbO3congr and LiNbO3:Mg (0.19-5.91 mole %) were studied by IR and Raman spectroscopy. It was found that the intensities of the bands corresponding to the stretching vibrations of the OH groups in the IR spectra of LiNbO3:Mg crystals change and components of the bands disappear with increase of the Mg content. This was explained by disappearance of the OH groups close to {Nb}_{Li}^{4+}-{V}_{Li}- defects as a result of displacement of NbLi defects by Mg cations. In the Raman spectra of the LiNbO3:Mg (5.1 mole %) compared with the congruent crystal the lines corresponding to the vibrations of oxygen atoms in the oxygen octahedra and the stretching bridge vibrations of the oxygen atoms along the polar axis become broader, and new low-intensity lines that may correspond to pseudoscalar vibrations of A2-type symmetry also appear. The broadening of the lines is due to deformation of the oxygen octahedra caused both by increase of the Mg content in the crystal structure and by change in the localization of the protons. Suppression of the photorefraction effect in the LiNbO3:Mg crystals with Mg contents above the threshold level can be explained by change in the localization of the protons in the structure and by screening of the space charge field.

Structural, vibrational and theoretical studies of anilinium trichloroacetate: New hydrogen bonded molecular crystal with nonlinear optical properties

NASA Astrophysics Data System (ADS)

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

2014-01-01

In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and FT-Raman spectra of the compound have been recorded together between 4000-80 cm-1 and 3600-80 cm-1 regions, respectively. The compound crystallizes in the noncentrosymmetric space group of monoclinic system. The optimized molecular structure, vibrational wavenumbers, IR intensities and Raman activities have been calculated by using density functional method (B3LYP) with 6-311++G(d,p) as higher basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. DSC measurements on powder samples do not indicate clearly on the occurrence of phase transitions in the temperature 113-293 K. The Kurtz and Perry powder reflection technique appeared to be very effective in studies of second-order nonlinear optical properties of the 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, frontier orbitals and thermodynamic properties were also performed at 6-311++G(d,p) level of theory. For title crystal the SHG efficiency was estimated by Kurtz-Perry method to be deff = 0.70 deff (KDP).

Structural, vibrational and theoretical studies of anilinium trichloroacetate: new hydrogen bonded molecular crystal with nonlinear optical properties.

PubMed

Tanak, H; Pawlus, K; Marchewka, M K; Pietraszko, A

2014-01-24

In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and FT-Raman spectra of the compound have been recorded together between 4000-80 cm(-1) and 3600-80 cm(-1) regions, respectively. The compound crystallizes in the noncentrosymmetric space group of monoclinic system. The optimized molecular structure, vibrational wavenumbers, IR intensities and Raman activities have been calculated by using density functional method (B3LYP) with 6-311++G(d,p) as higher basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. DSC measurements on powder samples do not indicate clearly on the occurrence of phase transitions in the temperature 113-293 K. The Kurtz and Perry powder reflection technique appeared to be very effective in studies of second-order nonlinear optical properties of the 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, frontier orbitals and thermodynamic properties were also performed at 6-311++G(d,p) level of theory. For title crystal the SHG efficiency was estimated by Kurtz-Perry method to be d(eff)=0.70 d(eff) (KDP). Copyright © 2013 Elsevier B.V. All rights reserved.

Vibration attenuations induced by periodic arrays of piezoelectric patches connected by enhanced resonant shunting circuits

NASA Astrophysics Data System (ADS)

Wang, Gang; Wang, Jianwei; Chen, Shengbing; Wen, Jihong

2011-12-01

Periodic arrays of piezoelectric patches connected by enhanced resonant shunting circuits are attached to a slender beam to control the propagation of vibration. Numerical models based on the transfer matrix methodology are constructed to predict the band structure, attenuation factors and the transmission of vibration in the proposed smart structure. The vibration attenuations of the proposed smart structure and that with the passive resonant shunting circuits are compared in order to verify the efficiency of the enhanced resonant shunting circuits. Vibration experiments are conducted in order to validate the theoretical predictions. The specimen with a combination of different types of resonant shunting circuits is also studied in order to gain wider attenuation frequency ranges.

Incorporating a disturbance observer with direct velocity feedback for control of human-induced vibrations

NASA Astrophysics Data System (ADS)

Nyawako, Donald; Reynolds, Paul; Hudson, Emma

2016-04-01

Feedback control strategies are desirable for disturbance rejection of human-induced vibrations in civil engineering structures as human walking forces cannot easily be measured. In relation to human-induced vibration control studies, most past researches have focused on floors and footbridges and the widely used linear controller implemented in the trials has been the direct velocity feedback (DVF) scheme. With appropriate compensation to enhance its robustness, it has been shown to be effective at damping out the problematic modes of vibration of the structures in which the active vibration control systems have been implemented. The work presented here introduces a disturbance observer (DOB) that is used with an outer-loop DVF controller. Results of analytical studies presented in this work based on the dynamic properties of a walkway bridge structure demonstrate the potential of this approach for enhancing the vibration mitigation performance offered by a purely DVF controller. For example, estimates of controlled frequency response functions indicate improved attenuation of vibration around the dominant frequency of the walkway bridge structure as well as at higher resonant frequencies. Controlled responses from three synthesized walking excitation forces on a walkway bridge structure model show that the inclusion of the disturbance observer with an outer loop DVF has potential to improve on the vibration mitigation performance by about 3.5% at resonance and 6-10% off-resonance. These are realised with hard constraints being imposed on the low frequency actuator displacements.

A complete vibrational study on a potential environmental toxicant agent, the 3,3',4,4'-tetrachloroazobenzene combining the FTIR, FTRaman, UV-Visible and NMR spectroscopies with DFT calculations.

PubMed

Castillo, María V; Pergomet, Jorgelina L; Carnavale, Gustavo A; Davies, Lilian; Zinczuk, Juan; Brandán, Silvia A

2015-01-05

In this study 3,3',4,4'-tetrachloroazobenzene (TCAB) was prepared and then characterized by infrared, Raman, multidimensional nuclear magnetic resonance (NMR) and ultraviolet-visible spectroscopies. The density functional theory (DFT) together with the 6-31G(*) and 6-311++G(**) basis sets were used to study the structures and vibrational properties of the two cis and trans isomers of TCAB. The harmonic vibrational wavenumbers for the optimized geometries were calculated at the same theory levels. A complete assignment of all the observed bands in the vibrational spectra of TCAB was performed combining the DFT calculations with the scaled quantum mechanical force field (SQMFF) methodology. The molecular electrostatic potentials, atomic charges, bond orders and frontier orbitals for the two isomers of TCAB were compared and analyzed. The comparison of the theoretical ultraviolet-visible spectrum with the corresponding experimental demonstrates a good concordance while the calculated (1)H and (13)C chemicals shifts are in good conformity with the corresponding experimental NMR spectra of TCAB in solution. The npp(*) transitions for both forms were studied by natural bond orbital (NBO) while the topological properties were calculated by employing Bader's Atoms in the Molecules (AIM) theory. This study shows that the cis and trans isomers exhibit different structural and vibrational properties and absorption bands. Copyright © 2014. Published by Elsevier B.V.

Structural changes in gluten protein structure after addition of emulsifier. A Raman spectroscopy study

NASA Astrophysics Data System (ADS)

Ferrer, Evelina G.; Gómez, Analía V.; Añón, María C.; Puppo, María C.

2011-06-01

Food protein product, gluten protein, was chemically modified by varying levels of sodium stearoyl lactylate (SSL); and the extent of modifications (secondary and tertiary structures) of this protein was analyzed by using Raman spectroscopy. Analysis of the Amide I band showed an increase in its intensity mainly after the addition of the 0.25% of SSL to wheat flour to produced modified gluten protein, pointing the formation of a more ordered structure. Side chain vibrations also confirmed the observed changes.

Soft Computing Approach to Evaluate and Predict Blast-Induced Ground Vibration

NASA Astrophysics Data System (ADS)

Khandelwal, Manoj

2010-05-01

Drilling and blasting is still one of the major economical operations to excavate a rock mass. The consumption of explosive has been increased many folds in recent years. These explosives are mainly used for the exploitation of minerals in mining industry or the removal of undesirable rockmass for community development. The amount of chemical energy converted into mechanical energy to fragment and displace the rockmass is minimal. Only 20 to 30% of this explosive energy is utilized for the actual fragmentation and displacement of rockmass and rest of the energy is wasted in undesirable ill effects, like, ground vibration, air over pressure, fly rock, back break, noise, etc. Ground vibration induced due to blasting is very crucial and critical as compared to other ill effects due to involvement of public residing in the close vicinity of mining sites, regulating and ground vibration standards setting agencies together with mine owners and environmentalists and ecologists. Also, with the emphasis shifting towards eco-friendly, sustainable and geo-environmental activities, the field of ground vibration have now become an important and imperative parameter for safe and smooth running of any mining and civil project. The ground vibration is a wave motion, spreading outward from the blast like ripples spreading outwards due to impact of a stone dropped into a pond of water. As the vibration passes through the surface structures, it induces vibrations in those structures also. Sometimes, due to high ground vibration level, dwellings may get damaged and there is always confrontation between mine management and the people residing in the surroundings of the mine area. There is number of vibration predictors available suggested by different researchers. All the predictors estimate the PPV based on mainly two parameters (maximum charge used per delay and distance between blast face to monitoring point). However, few predictors considered attenuation/damping factor too. For the same excavation site, different predictors give different values of safe PPV vis-à-vis safe charge per delay. There is no uniformity in the predicted result by different predictors. All vibration predictor equations have their site specific constants. Therefore, they cannot be used in a generalized way with confidence and zero level of risk. To overcome on this aspect new soft computing tools like artificial neural network (ANN) has attracted because of its ability to learn from the pattern acquainted before. ANN has the ability to learn from patterns acquainted before. It is a highly interconnected network of a large number of processing elements called neurons in an architecture inspired by the brain. ANN can be massively parallel and hence said to exhibit parallel distributed processing. Once, the network has been trained, with sufficient number of sample data sets, it can make reliable and trustworthy predictions on the basis of its previous learning, about the output related to new input data set of similar pattern. This paper deals the application of ANN for the prediction of ground vibration by taking into consideration of maximum charge per delay and distance between blast face to monitoring point. To investigate the appropriateness of this approach, the predictions by ANN have been also compared with other vibration predictor equations.

Workshop on Structural Dynamics and Control Interaction of Flexible Structures

NASA Technical Reports Server (NTRS)

Davis, L. P.; Wilson, J. F.; Jewell, R. E.

1987-01-01

The Hubble Space Telescope features the most exacting line of sight jitter requirement thus far imposed on a spacecraft pointing system. Consideration of the fine pointing requirements prompted an attempt to isolate the telescope from the low level vibration disturbances generated by the attitude control system reaction wheels. The primary goal was to provide isolation from axial component of wheel disturbance without compromising the control system bandwidth. A passive isolation system employing metal springs in parallel with viscous fluid dampers was designed, fabricated, and space qualified. Stiffness and damping characteristics are deterministic, controlled independently, and were demonstrated to remain constant over at least five orders of input disturbance magnitude. The damping remained purely viscous even at the data collection threshold of .16 x .000001 in input displacement, a level much lower than the anticipated Hubble Space Telescope disturbance amplitude. Vibration attenuation goals were obtained and ground test of the vehicle has demonstrated the isolators are transparent to the attitude control system.

Adaptive vibration control of structures under earthquakes

NASA Astrophysics Data System (ADS)

Lew, Jiann-Shiun; Juang, Jer-Nan; Loh, Chin-Hsiung

2017-04-01

techniques, for structural vibration suppression under earthquakes. Various control strategies have been developed to protect structures from natural hazards and improve the comfort of occupants in buildings. However, there has been little development of adaptive building control with the integration of real-time system identification and control design. Generalized predictive control, which combines the process of real-time system identification and the process of predictive control design, has received widespread acceptance and has been successfully applied to various test-beds. This paper presents a formulation of the predictive control scheme for adaptive vibration control of structures under earthquakes. Comprehensive simulations are performed to demonstrate and validate the proposed adaptive control technique for earthquake-induced vibration of a building.

Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

Passive Wireless Vibration Sensing for Measuring Aerospace Structural Flutter

NASA Technical Reports Server (NTRS)

Wilson, William C.; Moore, Jason P.

2017-01-01

To reduce energy consumption, emissions, and noise, NASA is exploring the use of high aspect ratio wings on subsonic aircraft. Because high aspect ratio wings are susceptible to flutter events, NASA is also investigating methods of flutter detection and suppression. In support of that work a new remote, non-contact method for measuring flutter-induced vibrations has been developed. The new sensing scheme utilizes a microwave reflectometer to monitor the reflected response from an aeroelastic structure to ultimately characterize structural vibrations. To demonstrate the ability of microwaves to detect flutter vibrations, a carbon fiber-reinforced polymer (CFRP) composite panel was vibrated at various frequencies from 1Hz to 130Hz. The reflectometer response was found to closely resemble the sinusoidal response as measured with an accelerometer up to 100 Hz. The data presented demonstrate that microwaves can be used to measure flutter-induced aircraft vibrations.

Slewing and vibration control of the SCOLE

NASA Technical Reports Server (NTRS)

Lin, Jiguan Gene

1988-01-01

A discussion of Slewing and Vibration Control makes the following conclusions: (1) A 2-stage approach is feasible and promising for rapid slewing and precision pointing of SCOLE; (2) Not all bang-bang type of time-minimized slew maneuvers will excite large structural vibrations in SCOLE; and (3) Modal dashpots can be a concentrated high-power vibration control, as well as the usual diffuse (broadband, low-power (low-authority) control. The following recommendations are made: (1) Limit the magnitude of applied forces on reflector to either the 25-lb limit of vernier thrusters on the real Space Shuttle or the 150-lb level equivalent to the cold-gas jets of laboratory SCOLE; (2) to complete stage 2, add an integrated design of LQF/LTR (Linear-Quadratic-Gaussian/Loop-Transfer Recovery) and Modal Dashpots; and, (3) Validate the 2-stage approach using the SCOLE laboratory facility with a comprehensive sequence of integrated designs and experiments coupling nonlinear rigid-body motions with flexible-body dynamics.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Lan; Lu, Jian, E-mail: jian-lu@aist.go.jp; Takagi, Hideki

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 ofmore » 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.« less

Vibration reduction of a woven composite fan blade by piezoelectric shunted devices

NASA Astrophysics Data System (ADS)

Thierry, Olivier; De Smet, Olivier; Deü, Jean-François

2016-09-01

This study concerns the vibration reduction in the low frequency range of a composite fan blade of a turbojet engine with piezoelectric devices. The interest is to increase lifespan and avoid flutter phenomena by reducing the vibration amplitude. The solution considered in the work consists in using piezoelectric elements connected to a passive electric circuit usually called shunt. The use of woven composite materials for fan blades enables to plan on embedding piezoelectric materials, for instance in the form of patches inserted between the composite and the coating material. The work presented during this conference will illustrate the feasibility of a piezoelectric shunted device integrated in an industrial application that doesn't require electrical supply. For such a structure, it is shown that a purely passive resonant shunt can significantly reduce the level of vibration of the second bending mode and that a good correlation between experiments and simulations validates the best fitting finite element model.

Evaluation of human response to structural vibration induced by sonic boom

NASA Technical Reports Server (NTRS)

Sutherland, L. C.; Czech, J.

1992-01-01

This paper addresses the topic of building vibration response to sonic boom and the evaluation of the associated human response to this vibration. The paper reexamines some of the issues addressed in the previous extensive coverage of the topic, primarily by NASA, and attempts to offer a fresh viewpoint for some of the problems that may assist in reassessing the potential impact of sonic boom over populated areas. The topics addressed are: (1) human response to vibration; (2) criteria for, and acoustic signature of rattle; (3) structural response to shaped booms, including definition of two new descriptors for assessing the structural response to sonic boom; and (4) a detailed review of the previous NASA/FAA Sonic Boom Test Program involving structural response measurements at Edwards AFB and an initial estimate of structural response to sonic booms from possible high speed civil transport configurations. Finally, these estimated vibration responses are shown to be substantially greater than the human response and rattle criteria developed earlier.

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

NASA Astrophysics Data System (ADS)

Li, Hui; Ou, Jinping

2008-07-01

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

A novel vibration structure for dynamic balancing measurement

NASA Astrophysics Data System (ADS)

Qin, Peng; Cai, Ping; Hu, Qinghan; Li, Yingxia

2006-11-01

Based on the conception of instantaneous motion center in theoretical mechanics, the paper presents a novel virtual vibration structure for dynamic balancing measurement with high precision. The structural features and the unbalancing response characteristics of this vibration structure are analyzed in depth. The relation between the real measuring system and the virtual one is emphatically expounded. Theoretical analysis indicates that the flexibly hinged integrative plate spring sets holds fixed vibration center, with the result that this vibration system has the most excellent effect of plane separation. In addition, the sensors are mounted on the same longitudinal section. Thus the influence of phase error on the primary unbalance reduction ratio is eliminated. Furthermore, the performance changes in sensors caused by environmental factor have less influence on the accuracy of the measurement. The result for this system is more accurate measurement with lower requirement for a second correction run.

Vibration and acoustic noise emitted by dry-type air-core reactors under PWM voltage excitation

NASA Astrophysics Data System (ADS)

Li, Jingsong; Wang, Shanming; Hong, Jianfeng; Yang, Zhanlu; Jiang, Shengqian; Xia, Shichong

2018-05-01

According to coupling way between the magnetic field and the structural order, structure mode is discussed by engaging finite element (FE) method and both natural frequency and modal shape for a dry-type air-core reactor (DAR) are obtained in this paper. On the basis of harmonic response analysis, electromagnetic force under PWM (Pulse Width Modulation) voltage excitation is mapped with the structure mesh, the vibration spectrum is gained and the consequences represents that the whole structure vibration predominates in the radial direction, with less axial vibration. Referring to the test standard of reactor noise, the rules of emitted noise of the DAR are measured and analyzed at chosen switching frequency matches the sample resonant frequency and the methods of active vibration and noise reduction are put forward. Finally, the low acoustic noise emission of a prototype DAR is verified by measurement.

Study of the bending vibration characteristic of phononic crystals beam-foundation structures by Timoshenko beam theory

NASA Astrophysics Data System (ADS)

Zhang, Yan; Ni, Zhi-Qiang; Jiang, Lin-Hua; Han, Lin; Kang, Xue-Wei

2015-07-01

Vibration problems wildly exist in beam-foundation structures. In this paper, finite periodic composites inspired by the concept of ideal phononic crystals (PCs), as well as Timoshenko beam theory (TBT), are proposed to the beam anchored on Winkler foundation. The bending vibration band structure of the PCs Timoshenko beam-foundation structure is derived from the modified transfer matrix method (MTMM) and Bloch's theorem. Then, the frequency response of the finite periodic composite Timoshenko beam-foundation structure by the finite element method (FEM) is performed to verify the above theoretical deduction. Study shows that the Timoshenko beam-foundation structure with periodic composites has wider attenuation zones compared with homogeneous ones. It is concluded that TBT is more available than Euler beam theory (EBT) in the study of the bending vibration characteristic of PCs beam-foundation structures with different length-to-height ratios.

Autoionization structure of nitric oxide (NO) at the first ionization limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miescher, E.; Lee, Y.T.; Guertler, P.

1978-03-15

A new and more detailed interpretation is given to the fine structure in the photoionization curve of cold NO observed by Ng, Mahan, and Lee. Resonances are assigned to autoionizing np and nddelta Rydberg levels which give prominent diffuse absorption bands in a spectrum recorded with the synchrotron radiation continuum. ..delta nu..<-1transitions in the vibrational autoionization process are substantiated.

Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

NASA Astrophysics Data System (ADS)

Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

2014-09-01

The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: a density functional theory.

PubMed

Govindasamy, P; Gunasekaran, S; Ramkumaar, G R

2014-09-15

The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm(-1) and 4000-50 cm(-1) respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

Work ability in vibration-exposed workers.

PubMed

Gerhardsson, L; Hagberg, M

2014-12-01

Hand-arm vibration exposure may cause hand-arm vibration syndrome (HAVS) including sensorineural disturbances. To investigate which factors had the strongest impact on work ability in vibration-exposed workers. A cross-sectional study in which vibration-exposed workers referred to a department of occupational and environmental medicine were compared with a randomized sample of unexposed subjects from the general population of the city of Gothenburg. All participants underwent a structured interview, answered several questionnaires and had a physical examination including measurements of hand and finger muscle strength and vibrotactile and thermal perception thresholds. The vibration-exposed group (47 subjects) showed significantly reduced sensitivity to cold and warmth in digit 2 bilaterally (P < 0.01) and in digit 5 in the left hand (P < 0.05) and to warmth in digit 5 in the right hand (P < 0.01), compared with the 18 referents. Similarly, tactilometry showed significantly raised vibration perception thresholds among the workers (P < 0.05). A strong relationship was found for the following multiple regression model: estimated work ability = 11.4 - 0.1 × age - 2.3 × current stress level - 2.5 × current pain in hands/arms (multiple r = 0.68; P < 0.001). Vibration-exposed workers showed raised vibrotactile and thermal perception thresholds, compared with unexposed referents. Multiple regression analysis indicated that stress disorders and muscle pain in hands/arms must also be considered when evaluating work ability among subjects with HAVS. © The Author 2014. Published by Oxford University Press on behalf of the Society of Occupational Medicine.

Synthesis, Characterization, and Theoretical Considerations of 1,2-bis(oxyamino)ethane Salts

NASA Technical Reports Server (NTRS)

Crake, Greg; Hawkins, Tom; Hall, Leslie; Tollison, Kerri; Brand, Adam

2003-01-01

The synthesis, characterization, theoretical calculations, and safety studies of energetic salts of 1,2- bis(oxyamino) ethane, (H2N-O-CH2-CH2-O-NH2), were carried out. The salts were characterized by vibrational (infrared, Raman), multinuclear nmr studies (1H, 13C), differential scanning calorimetry (DSC); elemental analysis; and initial safety testing (impact and friction sensitivity) . Theoretical calculations on the neutral, monoprotonated, and doubly protonated species of ethylene bisoxyamine were carried out using xxxx level of theory for the lowest energy structure and these theoretical results compared with the experimentally observed bond distances and vibrational (ir, Raman) frequency values. The single crystal X-ray diffraction study was carried out on the mono-perchlorate salt revealing a high degree of hydrogen bonding with an unexpected structure.

DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

NASA Astrophysics Data System (ADS)

Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

2008-09-01

Structures of the [M(bpy) 3] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1E MLCT excited state.

Modeling, simulation and optimization approaches for design of lightweight car body structures

NASA Astrophysics Data System (ADS)

Kiani, Morteza

Simulation-based design optimization and finite element method are used in this research to investigate weight reduction of car body structures made of metallic and composite materials under different design criteria. Besides crashworthiness in full frontal, offset frontal, and side impact scenarios, vibration frequencies, static stiffness, and joint rigidity are also considered. Energy absorption at the component level is used to study the effectiveness of carbon fiber reinforced polymer (CFRP) composite material with consideration of different failure criteria. A global-local design strategy is introduced and applied to multi-objective optimization of car body structures with CFRP components. Multiple example problems involving the analysis of full-vehicle crash and body-in-white models are used to examine the effect of material substitution and the choice of design criteria on weight reduction. The results of this study show that car body structures that are optimized for crashworthiness alone may not meet the vibration criterion. Moreover, optimized car body structures with CFRP components can be lighter with superior crashworthiness than the baseline and optimized metallic structures.

Tunneling Splittings in Vibronic Structure of CH_3F^+ ( X^2E): Studied by High Resolution Photoelectron Spectra and AB Initio Theoretical Method

NASA Astrophysics Data System (ADS)

Mo, Yuxiang; Gao, Shuming; Dai, Zuyang; Li, Hua

2013-06-01

We report a combined experimental and theoretical study on the vibronic structure of CH_3F^+. The results show that the tunneling splittings of vibrational energy levels occur in CH_3F^+ due to the Jahn-Teller effect. Experimentally, we have measured a high resolution ZEKE spectrum of CH_3F up to 3500 cm^-^1 above the ground state. Theoretically, we performed an ab initio calculation based on the diabatic model. The adiabatic potential energy surfaces (APES) of CH_3F^+ have been calculated at the MRCI/CAS/avq(t)z level and expressed by Taylor expansions with normal coordinates as variables. The energy gradients for the lower and upper APES, the derivative couplings between them and also the energies of the APES have been used to determine the coefficients in the Taylor expansion. The spin-vibronic energy levels have been calculated by accounting all six vibrational modes and their couplings. The experimental ZEKE spectra were assigned based on the theoretical calculations. W. Domcke, D. R. Yarkony, and H. Köpple (Eds.), Conical Intersections: Eletronic Structure, Dynamics and Spectroscopy (World Scientific, Singapore, 2004). M. S. Schuurman, D. E. Weinberg, and D. R. Yarkony, J. Chem. Phys. 127, 104309 (2007).

The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasilatou, K.; Michaud, J. M.; Baykusheva, D.

2014-08-14

The cyclopropene radical cation (c-C{sub 3}H{sub 4}{sup +}) is an important but poorly characterized three-membered-ring hydrocarbon. We report on a measurement of the high-resolution photoelectron and photoionization spectra of cyclopropene and several deuterated isotopomers, from which we have determined the rovibrational energy level structure of the X{sup ~+} {sup 2}B{sub 2} ground electronic state of c-C{sub 3}H{sub 4}{sup +} at low energies for the first time. The synthesis of the partially deuterated isotopomers always resulted in mixtures of several isotopomers, differing in their number of D atoms and in the location of these atoms, so that the photoelectron spectra ofmore » deuterated samples are superpositions of the spectra of several isotopomers. The rotationally resolved spectra indicate a C{sub 2v}-symmetric R{sub 0} structure for the ground electronic state of c-C{sub 3}H{sub 4}{sup +}. Two vibrational modes of c-C{sub 3}H{sub 4}{sup +} are found to have vibrational wave numbers below 300 cm{sup −1}, which is surprising for such a small cyclic hydrocarbon. The analysis of the isotopic shifts of the vibrational levels enabled the assignment of the lowest-frequency mode (fundamental wave number of ≈110 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to the CH{sub 2} torsional mode (ν{sub 8}{sup +}, A{sub 2} symmetry) and of the second-lowest-frequency mode (≈210 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to a mode combining a CH out-of-plane with a CH{sub 2} rocking motion (ν{sub 15}{sup +}, B{sub 2} symmetry). The potential energy along the CH{sub 2} torsional coordinate is flat near the equilibrium structure and leads to a pronounced anharmonicity.« less

Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase

NASA Astrophysics Data System (ADS)

Kuroda, Daniel G.; Bauman, Joseph D.; Challa, J. Reddy; Patel, Disha; Troxler, Thomas; Das, Kalyan; Arnold, Eddy; Hochstrasser, Robin M.

2013-03-01

The anti-AIDS drug rilpivirine undergoes conformational changes to bind HIV-1 reverse transcriptase (RT), which is an essential enzyme for the replication of HIV. These changes allow it to retain potency against mutations that otherwise would render the enzyme resistant. Here we report that water molecules play an essential role in this binding process. Femtosecond experiments and theory expose the molecular level dynamics of rilpivirine bound to HIV-1 RT. Two nitrile substituents, one on each arm of the drug, are used as vibrational probes of the structural dynamics within the binding pocket. Two-dimensional vibrational echo spectroscopy reveals that one nitrile group is unexpectedly hydrogen-bonded to a mobile water molecule, not identified in previous X-ray structures. Ultrafast nitrile-water dynamics are confirmed by simulations. A higher (1.51 Å) resolution X-ray structure also reveals a water-drug interaction network. Maintenance of a crucial anchoring hydrogen bond may help retain the potency of rilpivirine against pocket mutations despite the structural variations they cause.

Estimation of hysteretic damping of structures by stochastic subspace identification

NASA Astrophysics Data System (ADS)

Bajrić, Anela; Høgsberg, Jan

2018-05-01

Output-only system identification techniques can estimate modal parameters of structures represented by linear time-invariant systems. However, the extension of the techniques to structures exhibiting non-linear behavior has not received much attention. This paper presents an output-only system identification method suitable for random response of dynamic systems with hysteretic damping. The method applies the concept of Stochastic Subspace Identification (SSI) to estimate the model parameters of a dynamic system with hysteretic damping. The restoring force is represented by the Bouc-Wen model, for which an equivalent linear relaxation model is derived. Hysteretic properties can be encountered in engineering structures exposed to severe cyclic environmental loads, as well as in vibration mitigation devices, such as Magneto-Rheological (MR) dampers. The identification technique incorporates the equivalent linear damper model in the estimation procedure. Synthetic data, representing the random vibrations of systems with hysteresis, validate the estimated system parameters by the presented identification method at low and high-levels of excitation amplitudes.

Vibration suppression of planar truss structures utilizing uniform damping control

NASA Technical Reports Server (NTRS)

Andersen, G. C.; Silverberg, L. M.

1986-01-01

A variety of methods has been devised for vibrational control of a structure using both passive and active controls. Presented in this paper is a relatively new method for vibration suppression, uniform damping control. This method consists of implementing a control law which tends to dampen each vibrational mode of the structure at the same desirable exponential rate. The unique aspects of this method are that the control law is not explicitly dependent on the structural stiffness, the control forces are directly proportional to the distribution of the structural mass, and the control law is natural and decentralized. The control law was applied to a flexible planar truss structure and the various aspects of implementation of the control law examined are: actuator/sensor number, placement, and the impact of the actuator/sensor number and placement on the necessary control 'power' requirements such as peak power loads, total power requirements, etc. Also examined are the effects of using a limited number of active members in terms of the vibrational performance when compared with the 'ideal' distributed control law.

Measurements and analyses of principal dynamic parameters of building structures as a function of type of vibration excitation

NASA Astrophysics Data System (ADS)

Bartmański, Cezary; Bochenek, Wojciech; Passia, Henryk; Szade, Adam

2006-06-01

The methods of direct measurement and analysis of the dynamic response of a building structure through real-time recording of the amplitude of low-frequency vibration (tilt) have been presented. Subject to analyses was the reaction induced either by kinematic excitation (road traffic and mining-induced vibration) or controlled action of solid-fuel rocket micro-engines installed on the building. The forces were analysed by means of a set of transducers installed both in the ground and on the structure. After the action of excitation forces has been stopped, the system (structure) makes damped vibration around the static equilibrium position. It has been shown that the type of excitation affects the accuracy of evaluation of principal dynamic parameters of the structure. In the authors opinion these are the decrement of damping and natural vibration frequency. Positive results of tests with the use of excitation by means of short-action (0.6 second) rocket micro-engines give a chance to develop a reliable method for periodical assessment of acceptable loss of usability characteristics of building structures heavily influenced by environmental effects.

Dynamics of a passive micro-vibration isolator based on a pretensioned plane cable net structure and fluid damper

NASA Astrophysics Data System (ADS)

Chen, Yanhao; Lu, Qi; Jing, Bo; Zhang, Zhiyi

2016-09-01

This paper addresses dynamic modelling and experiments on a passive vibration isolator for application in the space environment. The isolator is composed of a pretensioned plane cable net structure and a fluid damper in parallel. Firstly, the frequency response function (FRF) of a single cable is analysed according to the string theory, and the FRF synthesis method is adopted to establish a dynamic model of the plane cable net structure. Secondly, the equivalent damping coefficient of the fluid damper is analysed. Thirdly, experiments are carried out to compare the plane cable net structure, the fluid damper and the vibration isolator formed by the net and the damper, respectively. It is shown that the plane cable net structure can achieve substantial vibration attenuation but has a great amplification at its resonance frequency due to the light damping of cables. The damping effect of fluid damper is acceptable without taking the poor carrying capacity into consideration. Compared to the plane cable net structure and the fluid damper, the isolator has an acceptable resonance amplification as well as vibration attenuation.

In-Flight Vibration Environment of the NASA F-15B Flight Test Fixture

NASA Technical Reports Server (NTRS)

Corda, Stephen; Franz, Russell J.; Blanton, James N.; Vachon, M. Jake; DeBoer, James B.

2002-01-01

Flight vibration data are analyzed for the NASA F-15B/Flight Test Fixture II test bed. Understanding the in-flight vibration environment benefits design and integration of experiments on the test bed. The power spectral density (PSD) of accelerometer flight data is analyzed to quantify the in-flight vibration environment from a frequency of 15 Hz to 1325 Hz. These accelerometer data are analyzed for typical flight conditions and maneuvers. The vibration data are compared to flight-qualification random vibration test standards. The PSD levels in the lateral axis generally are greater than in the longitudinal and vertical axes and decrease with increasing frequency. At frequencies less than approximately 40 Hz, the highest PSD levels occur during takeoff and landing. Peaks in the PSD data for the test fixture occur at approximately 65, 85, 105-110, 200, 500, and 1000 Hz. The pitch-pulse and 2-g turn maneuvers produce PSD peaks at 115 Hz. For cruise conditions, the PSD level of the 85-Hz peak is greatest for transonic flight at Mach 0.9. From 400 Hz to 1325 Hz, the takeoff phase has the highest random vibration levels. The flight-measured vibration levels generally are substantially lower than the random vibration test curve.

14 CFR 33.33 - Vibration.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...

14 CFR 33.33 - Vibration.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...

14 CFR 33.33 - Vibration.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...

14 CFR 33.33 - Vibration.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...

14 CFR 33.33 - Vibration.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...

Blind identification of full-field vibration modes of output-only structures from uniformly-sampled, possibly temporally-aliased (sub-Nyquist), video measurements

NASA Astrophysics Data System (ADS)

Yang, Yongchao; Dorn, Charles; Mancini, Tyler; Talken, Zachary; Nagarajaiah, Satish; Kenyon, Garrett; Farrar, Charles; Mascareñas, David

2017-03-01

Enhancing the spatial and temporal resolution of vibration measurements and modal analysis could significantly benefit dynamic modelling, analysis, and health monitoring of structures. For example, spatially high-density mode shapes are critical for accurate vibration-based damage localization. In experimental or operational modal analysis, higher (frequency) modes, which may be outside the frequency range of the measurement, contain local structural features that can improve damage localization as well as the construction and updating of the modal-based dynamic model of the structure. In general, the resolution of vibration measurements can be increased by enhanced hardware. Traditional vibration measurement sensors such as accelerometers have high-frequency sampling capacity; however, they are discrete point-wise sensors only providing sparse, low spatial sensing resolution measurements, while dense deployment to achieve high spatial resolution is expensive and results in the mass-loading effect and modification of structure's surface. Non-contact measurement methods such as scanning laser vibrometers provide high spatial and temporal resolution sensing capacity; however, they make measurements sequentially that requires considerable acquisition time. As an alternative non-contact method, digital video cameras are relatively low-cost, agile, and provide high spatial resolution, simultaneous, measurements. Combined with vision based algorithms (e.g., image correlation or template matching, optical flow, etc.), video camera based measurements have been successfully used for experimental and operational vibration measurement and subsequent modal analysis. However, the sampling frequency of most affordable digital cameras is limited to 30-60 Hz, while high-speed cameras for higher frequency vibration measurements are extremely costly. This work develops a computational algorithm capable of performing vibration measurement at a uniform sampling frequency lower than what is required by the Shannon-Nyquist sampling theorem for output-only modal analysis. In particular, the spatio-temporal uncoupling property of the modal expansion of structural vibration responses enables a direct modal decoupling of the temporally-aliased vibration measurements by existing output-only modal analysis methods, yielding (full-field) mode shapes estimation directly. Then the signal aliasing properties in modal analysis is exploited to estimate the modal frequencies and damping ratios. The proposed method is validated by laboratory experiments where output-only modal identification is conducted on temporally-aliased acceleration responses and particularly the temporally-aliased video measurements of bench-scale structures, including a three-story building structure and a cantilever beam.

Millimeter Wave Spectroscopy and Equilibrium Structure Determination of Pyrimidine (m-C_4H_4N_2)

NASA Astrophysics Data System (ADS)

Heim, Zachary N.; Amberger, Brent K.; Esselman, Brian J.; Woods, R. Claude; McMahon, Robert J.

2015-06-01

Pyrimidine, the meta substituted dinitrogen analog of benzene, has been studied in the mm-wave region from 260 - 360 GHz, expanding on previous studies up to 337 GHz. The spectra of all four of the singly-substituted 13C and 15N isotopologues were observed in natural abundance. Samples of deuterium enriched pyrimidine were synthesized, giving access to several deuterium-substituted isotopologues. The experimental rotational constants have been corrected for vibration-rotation coupling and electron mass. The vibration-rotation corrections were calculated with an anharmonic frequency calculation at the CCSD[T]/ANO1 level using CFOUR. An equilibrium structure determination has been performed using the corrected rotational constants with the xrefit module of CFOUR. Several vibrational satellites of pyrimidine have also been studied. Their rotational constants have been compared to those obtained computationally. Z. Kisiel, L. Pszczolkowski, I. R. Medvedev, M. Winnewisser, F. C. De Lucia, E. Herbst, J. Mol. Spectrosc. 233, 231-243 (2005). G. L. Blackman, R. D. Brown, F. R. Burden, J. Mol. Spectrosc. 35, 444-454 (1970). W. Caminati, D. Damiani, Chem. Phys. Lett. 179, 460-462 (1991).

Progesterone and testosterone studies by neutron-scattering methods and quantum chemistry calculations

NASA Astrophysics Data System (ADS)

Holderna-Natkaniec, K.; Szyczewski, A.; Natkaniec, I.; Khavryutchenko, V. D.; Pawlukojc, A.

Inelastic incoherent neutron scattering (IINS) and neutron diffraction spectra of progesterone and testosterone were measured simultaneously on the NERA spectrometer at the IBR-2 pulsed reactor in Dubna. Both studied samples do not indicate any phase transition in the temperature range from 20 to 290K. The IINS spectra have been transformed to the phonon density of states (PDS) in the one-phonon scattering approximation. The PDS spectra display well-resolved peaks of low-frequency internal vibration modes up to 600cm-1. The assignment of these modes was proposed taking into account the results of calculations of the structure and dynamics of isolated molecules of the investigated substances. The quantum chemistry calculations were performed by the semi-empirical PM3 method and at the restricted Hartree-Fock level with the 6-31* basis set. The lower internal modes assigned to torsional vibration of the androstane skeleton mix with the lattice vibrations. The intense bands in the PDS spectra in the frequency range from 150 to 300cm-1 are related to librations of structurally inequivalent methyl groups.

Nonlinear dynamic analysis of rigid rotor supported by gas foil bearings: Effects of gas film and foil structure on subsynchronous vibrations

NASA Astrophysics Data System (ADS)

Guo, Zhiyang; Feng, Kai; Liu, Tianyu; Lyu, Peng; Zhang, Tao

2018-07-01

Highly nonlinear subsynchronous vibrations are the main causing factors of failure in gas foil bearing (GFB)-rotor systems. Thus, investigating the vibration generation mechanisms and the relationship between subsynchronous vibrations and GFBs is necessary to ensure the healthy operation of rotor systems. In this study, an integrated nonlinear dynamic model with the consideration of shaft motion, unsteady gas film, and deformations of foil structure is established to investigate the effect of gas film and foil structure on system subsynchronous response. One test rig of GFB-rotor system is developed for model comparison. High agreement is shown between the prediction and test data, especially in the frequency domain. The nonlinear dynamic response is analyzed using waterfall plots, operation deflection shapes, journal orbits, Poincaré maps, and fast Fourier transforms. The parameter studies reveal that subsynchronous vibrations are highly related to gas film and foil structure. Subsynchronous vibrations can be adjusted by parameters such as bump stiffness, nominal clearance, and static loads. Therefore, gas foil bearing parameters should be carefully adjusted by system manufacturers to achieve the best rotordynamic performance.

Development of new vibration energy flow analysis software and its applications to vehicle systems

NASA Astrophysics Data System (ADS)

Kim, D.-J.; Hong, S.-Y.; Park, Y.-H.

2005-09-01

The Energy flow analysis (EFA) offers very promising results in predicting the noise and vibration responses of system structures in medium-to-high frequency ranges. We have developed the Energy flow finite element method (EFFEM) based software, EFADSC++ R4, for the vibration analysis. The software can analyze the system structures composed of beam, plate, spring-damper, rigid body elements and many other components developed, and has many useful functions in analysis. For convenient use of the software, the main functions of the whole software are modularized into translator, model-converter, and solver. The translator module makes it possible to use finite element (FE) model for the vibration analysis. The model-converter module changes FE model into energy flow finite element (EFFE) model, and generates joint elements to cover the vibrational attenuation in the complex structures composed of various elements and can solve the joint element equations by using the wave tra! nsmission approach very quickly. The solver module supports the various direct and iterative solvers for multi-DOF structures. The predictions of vibration for real vehicles by using the developed software were performed successfully.

Castable thermal insulation for use as heat shields

NASA Technical Reports Server (NTRS)

Mountvala, A. J.; Nakamura, H. H.; Rechter, H. L.

1974-01-01

Structural members supporting the afterburners of high thrust rocket engines are subjected to extreme heating, along with severe vibration and high acceleration levels during early lift-off. Chemically-bonded, castable, zircon composite foams were developed and successfully tested to meet specific, laboratory simulated lift-off conditions.

Unravelling the mechanisms of vibrational relaxation in solution.

PubMed

Grubb, Michael P; Coulter, Philip M; Marroux, Hugo J B; Orr-Ewing, Andrew J; Ashfold, Michael N R

2017-04-01

We present a systematic study of the mode-specific vibrational relaxation of NO 2 in six weakly-interacting solvents (perfluorohexane, perfluoromethylcyclohexane, perfluorodecalin, carbon tetrachloride, chloroform, and d-chloroform), chosen to elucidate the dominant energy transfer mechanisms in the solution phase. Broadband transient vibrational absorption spectroscopy has allowed us to extract quantum state-resolved relaxation dynamics of the two distinct NO 2 fragments produced from the 340 nm photolysis of N 2 O 4 → NO 2 (X) + NO 2 (A) and their separate paths to thermal equilibrium. Distinct relaxation pathways are observed for the NO 2 bending and stretching modes, even at energies as high as 7000 cm -1 above the potential minimum. Vibrational energy transfer is governed by different interaction mechanisms in the various solvent environments, and proceeds with timescales ranging from 20-1100 ps. NO 2 relaxation rates in the perfluorocarbon solvents are identical despite differences in acceptor mode state densities, infrared absorption cross sections, and local solvent structure. Vibrational energy is shown to be transferred to non-vibrational solvent degrees of freedom (V-T) through impulsive collisions with the perfluorocarbon molecules. Conversely, NO 2 relaxation in chlorinated solvents is reliant on vibrational resonances (V-V) while V-T energy transfer is inefficient and thermal excitation of the surrounding solvent molecules inhibits faster vibrational relaxation through direct complexation. Intramolecular vibrational redistribution allows the symmetric stretch of NO 2 to act as a gateway for antisymmetric stretch energy to exit the molecule. This study establishes an unprecedented level of detail for the cooling dynamics of a solvated small molecule, and provides a benchmark system for future theoretical studies of vibrational relaxation processes in solution.

Exploring Modeling Options and Conversion of Average Response to Appropriate Vibration Envelopes for a Typical Cylindrical Vehicle Panel with Rib-stiffened Design

NASA Technical Reports Server (NTRS)

Harrison, Phil; LaVerde, Bruce; Teague, David

2009-01-01

Although applications for Statistical Energy Analysis (SEA) techniques are more widely used in the aerospace industry today, opportunities to anchor the response predictions using measured data from a flight-like launch vehicle structure are still quite valuable. Response and excitation data from a ground acoustic test at the Marshall Space Flight Center permitted the authors to compare and evaluate several modeling techniques available in the SEA module of the commercial code VA One. This paper provides an example of vibration response estimates developed using different modeling approaches to both approximate and bound the response of a flight-like vehicle panel. Since both vibration response and acoustic levels near the panel were available from the ground test, the evaluation provided an opportunity to learn how well the different modeling options can match band-averaged spectra developed from the test data. Additional work was performed to understand the spatial averaging of the measurements across the panel from measured data. Finally an evaluation/comparison of two conversion approaches from the statistical average response results that are output from an SEA analysis to a more useful envelope of response spectra appropriate to specify design and test vibration levels for a new vehicle.

Centaur liquid oxygen boost pump vibration test

NASA Technical Reports Server (NTRS)

Tang, H. M.

1975-01-01

The Centaur LOX boost pump was subjected to both the simulated Titan Centaur proof flight and confidence demonstration vibration test levels. For each test level, both sinusoidal and random vibration tests were conducted along each of the three orthogonal axes of the pump and turbine assembly. In addition to these tests, low frequency longitudinal vibration tests for both levels were conducted. All tests were successfully completed without damage to the boost pump.

Vibration reduction for smart periodic structures via periodic piezoelectric arrays with nonlinear interleaved-switched electronic networks

NASA Astrophysics Data System (ADS)

Bao, Bin; Guyomar, Daniel; Lallart, Mickaël

2017-01-01

Smart periodic structures covered by periodically distributed piezoelectric patches have drawn more and more attention in recent years for wave propagation attenuation and corresponding structural vibration suppression. Since piezoelectric materials are special type of energy conversion materials that link mechanical characteristics with electrical characteristics, shunt circuits coupled with such materials play a key role in the wave propagation and/or vibration control performance in smart periodic structures. Conventional shunt circuit designs utilize resistive shunt (R-shunt) and resonant shunt (RL-shunt). More recently, semi-passive nonlinear approaches have also been developed for efficiently controlling the vibrations of such structures. In this paper, an innovative smart periodic beam structure with nonlinear interleaved-switched electric networks based on synchronized switching damping on inductor (SSDI) is proposed and investigated for vibration reduction and wave propagation attenuation. Different from locally resonant band gap mechanism forming narrow band gaps around the desired resonant frequencies, the proposed interleaved electrical networks can induce new broadly low-frequency stop bands and broaden primitive Bragg stop bands by virtue of unique interleaved electrical configurations and the SSDI technique which has the unique feature of realizing automatic impedance adaptation with a small inductance. Finite element modeling of a Timoshenko electromechanical beam structure is also presented for validating dispersion properties of the structure. Both theoretical and experimental results demonstrate that the proposed beam structure not only shows better vibration and wave propagation attenuation than the smart beam structure with independent switched networks, but also has technical simplicity of requiring only half of the number of switches than the independent switched network needs.

Structural and vibrational spectroscopy investigation of the 5-[(diphenyl) amino] isophthalic acid molecule

NASA Astrophysics Data System (ADS)

Kurt, M.; Şaş, E. Babur; Can, M.; Okur, S.; Icli, S.; Demic, S.

2014-10-01

The molecular structure and vibrations of 5-(diphenyl) amino] isophthalic acid (DPIFA) were investigated by different spectroscopic techniques (such as infrared and Raman). FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. HOMO-LUMO analyses were performed. The theoretical calculations for the molecular structure and spectroscopic studies were performed with DFT (B3LYP) and 6-311G(d,p) basis set calculations using the Gaussian 09 program. After optimizing the geometry of the molecule, vibration wavenumbers and fundamental vibrations wavenumbers were assigned on the basis of the potential energy distribution (PED) of the vibrational modes calculated with VEDA 4 program. The results of theoretical calculations for the spectra of the title compound were compared with the observed spectra.

Short term response of insulin, glucose, growth hormone and corticosterone to acute vibration in rats.

NASA Technical Reports Server (NTRS)

Dolkas, C. B.; Leon, H. A.; Chackerian, M.

1971-01-01

Study carried out to obtain some notion of the initial phasing and interactive effects among some hormones known to be responsive to vibration stress. Sprague-Dawley derived rats were exposed to the acute effects of confinement and confinement with lateral (plus or minus G sub y) vibration. The coincident monitoring of glucose, insulin, growth hormone, and corticosterone plasma levels, during and immediately subsequent to exposure to brief low level vibration, exhibits the effects of inhibition of insulin release by epinephrine. The ability of insulin (IRI) to return rapidly to basal levels, from appreciably depressed levels during vibration, in the face of elevated levels of glucose is also shown. Corticosterone responds with almost equal rapidity, but in opposite phase to the IRI. The immuno-assayable growth hormone (IGH) dropped from a basal level of 32 ng/ml to 7.3 ng/ml immediately subsequent to vibration and remained at essentially that level throughout the experiment (60 min). Whether these levels represent a real fall in the rat or whether they merely follow the immuno-logically deficient form is still in question.

Feasibility Study of the Electromagnetic Damper for Cable Structures Using Real-Time Hybrid Simulation

PubMed Central

Jung, Ho-Yeon; Kim, In-Ho; Jung, Hyung-Jo

2017-01-01

Cable structure is a major component of long-span bridges, such as cable-stayed and suspension bridges, and it transfers the main loads of bridges to the pylons. As these cable structures are exposed to continuous external loads, such as vehicle and wind loads, vibration control and continuous monitoring of the cable are required. In this study, an electromagnetic (EM) damper was designed and fabricated for vibration control and monitoring of the cable structure. EM dampers, also called regenerative dampers, consist of permanent magnets and coils. The electromagnetic force due to the relative motion between the coil and the permanent magnet can be used to control the vibration of the structure. The electrical energy can be used as a power source for the monitoring system. The effects of the design parameters of the damper were numerically analyzed and the damper was fabricated. The characteristics of the damper were analyzed with various external load changes. Finally, the vibration-control and energy-harvesting performances of the cable structure were evaluated through a hybrid simulation. The vibration-control and energy-harvesting performances for various loads were analyzed and the applicability to the cable structure of the EM damper was evaluated. PMID:29088077

Feasibility Study of the Electromagnetic Damper for Cable Structures Using Real-Time Hybrid Simulation.

PubMed

Jung, Ho-Yeon; Kim, In-Ho; Jung, Hyung-Jo

2017-10-31

Cable structure is a major component of long-span bridges, such as cable-stayed and suspension bridges, and it transfers the main loads of bridges to the pylons. As these cable structures are exposed to continuous external loads, such as vehicle and wind loads, vibration control and continuous monitoring of the cable are required. In this study, an electromagnetic (EM) damper was designed and fabricated for vibration control and monitoring of the cable structure. EM dampers, also called regenerative dampers, consist of permanent magnets and coils. The electromagnetic force due to the relative motion between the coil and the permanent magnet can be used to control the vibration of the structure. The electrical energy can be used as a power source for the monitoring system. The effects of the design parameters of the damper were numerically analyzed and the damper was fabricated. The characteristics of the damper were analyzed with various external load changes. Finally, the vibration-control and energy-harvesting performances of the cable structure were evaluated through a hybrid simulation. The vibration-control and energy-harvesting performances for various loads were analyzed and the applicability to the cable structure of the EM damper was evaluated.

Ambient Vibration Testing for Story Stiffness Estimation of a Heritage Timber Building

PubMed Central

Min, Kyung-Won; Kim, Junhee; Park, Sung-Ah; Park, Chan-Soo

2013-01-01

This paper investigates dynamic characteristics of a historic wooden structure by ambient vibration testing, presenting a novel estimation methodology of story stiffness for the purpose of vibration-based structural health monitoring. As for the ambient vibration testing, measured structural responses are analyzed by two output-only system identification methods (i.e., frequency domain decomposition and stochastic subspace identification) to estimate modal parameters. The proposed methodology of story stiffness is estimation based on an eigenvalue problem derived from a vibratory rigid body model. Using the identified natural frequencies, the eigenvalue problem is efficiently solved and uniquely yields story stiffness. It is noteworthy that application of the proposed methodology is not necessarily confined to the wooden structure exampled in the paper. PMID:24227999

Anharmonic Resonances among Low-Lying Vibrational Levels of Methyl Iso-Cyanide (H_3CNC)

NASA Astrophysics Data System (ADS)

Pracna, P.; Urban, J.; Urban, V. S.; Varga, J.; Horneman, V.-M.

2010-06-01

Vibrational levels up to 1000 wn of H_3C-N≡C are currently studied in FTIR spectra together with rotational transitions within these levels. This investigation comprises the low-lying excited vibrational levels of the CNC doubly degenerate bending vibration v8=1^± 1 (267.3 wn), v8=20,± 2 (524.6 wn (A), 545.3 wn (E)), and v8=3^± 1,± 3 (792.5 wn (A1+A2), 833.9 wn (E)), respectively, and the next higher fundamental level of the C-N valence vibration v4=1 (945 wn). All these vibrational levels exhibit cubic and quartic anharmonic resonances localized to moderate values of the rotational quantum number K≤10. Therefore the system of rovibrational levels has to be treated as a global polyad in order to describe all the available data quantitatively. The ground state constants have been improved considerably by extending the assignments to higher J/K rotational states both in the purely rotational spectra recorded in the ground vibrational level and in the ground state combination differences generated from the wavenumbers assigned in the fundamental ν_4 band. Similarities and differences with respect to isoelectronic molecules CH_3CN and CH_3CCH are discussed.

Vibrational Properties of Anhydrous and Partially Hydrated Uranyl Fluoride

DOE PAGES

Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.; ...

2017-01-01

Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

Ab Initio Vibrational Levels For HO2 and Vibrational Splittings for Hydrogen Atom Transfer

NASA Technical Reports Server (NTRS)

Barclay, V. J.; Dateo, Christopher E.; Hamilton, I. P.; Arnold, James O. (Technical Monitor)

1994-01-01

We calculate vibrational levels and wave functions for HO2 using the recently reported ab initio potential energy surface of Walch and Duchovic. There is intramolecular hydrogen atom transfer when the hydrogen atom tunnels through a T-shaped saddle point separating two equivalent equilibrium geometries, and correspondingly, the energy levels are split. We focus on vibrational levels and wave functions with significant splitting. The first three vibrational levels with splitting greater than 2/cm are (15 0), (0 7 1) and (0 8 0) where V(sub 2) is the O-O-H bend quantum number. We discuss the dynamics of hydrogen atom transfer; in particular, the O-O distances at which hydrogen atom transfer is most probable for these vibrational levels. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Optimization of chiral lattice based metastructures for broadband vibration suppression using genetic algorithms

NASA Astrophysics Data System (ADS)

Abdeljaber, Osama; Avci, Onur; Inman, Daniel J.

2016-05-01

One of the major challenges in civil, mechanical, and aerospace engineering is to develop vibration suppression systems with high efficiency and low cost. Recent studies have shown that high damping performance at broadband frequencies can be achieved by incorporating periodic inserts with tunable dynamic properties as internal resonators in structural systems. Structures featuring these kinds of inserts are referred to as metamaterials inspired structures or metastructures. Chiral lattice inserts exhibit unique characteristics such as frequency bandgaps which can be tuned by varying the parameters that define the lattice topology. Recent analytical and experimental investigations have shown that broadband vibration attenuation can be achieved by including chiral lattices as internal resonators in beam-like structures. However, these studies have suggested that the performance of chiral lattice inserts can be maximized by utilizing an efficient optimization technique to obtain the optimal topology of the inserted lattice. In this study, an automated optimization procedure based on a genetic algorithm is applied to obtain the optimal set of parameters that will result in chiral lattice inserts tuned properly to reduce the global vibration levels of a finite-sized beam. Genetic algorithms are considered in this study due to their capability of dealing with complex and insufficiently understood optimization problems. In the optimization process, the basic parameters that govern the geometry of periodic chiral lattices including the number of circular nodes, the thickness of the ligaments, and the characteristic angle are considered. Additionally, a new set of parameters is introduced to enable the optimization process to explore non-periodic chiral designs. Numerical simulations are carried out to demonstrate the efficiency of the optimization process.

Temperature- and pressure-dependent infrared spectroscopy of 1-butyl-3-methylimidazolium trifluoromethanesulfonate: A dipolar coupling theory analysis

NASA Astrophysics Data System (ADS)

Burba, Christopher M.; Chang, Hai-Chou

2018-03-01

Continued growth and development of ionic liquids requires a thorough understanding of how cation and anion molecular structure defines the liquid structure of the materials as well as the various properties that make them technologically useful. Infrared spectroscopy is frequently used to assess molecular-level interactions among the cations and anions of ionic liquids because the intramolecular vibrational modes of the ions are sensitive to the local potential energy environments in which they reside. Thus, different interaction modes among the ions may lead to different spectroscopic signatures in the vibrational spectra. Charge organization present in ionic liquids, such as 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([C4mim]CF3SO3), is frequently modeled in terms of a quasicrystalline structure. Highly structured quasilattices enable the dynamic coupling of vibrationally-induced dipole moments to produce optical dispersion and transverse optical-longitudinal optical (TO-LO) splitting of vibrational modes of the ionic liquid. According to dipolar coupling theory, the degree of TO-LO splitting is predicted to have a linear dependence on the number density of the ionic liquid. Both temperature and pressure will affect the number density of the ionic liquid and, therefore, the amount of TO-LO splitting for this mode. Therefore, we test these relationships through temperature- and pressure-dependent FT-IR spectroscopic studies of [C4mim]CF3SO3, focusing on the totally symmetric Ssbnd O stretching mode for the anion, νs(SO3). Increased temperature decreases the amount of TO-LO splitting for νs(SO3), whereas elevated pressure is found to increase the amount of band splitting. In both cases, the experimental observations follow the general predictions of dipolar coupling theory, thereby supporting the quasilattice model for this ionic liquid.

A summary of recent NASA/Army contributions to rotorcraft vibrations and structural dynamics technology

NASA Technical Reports Server (NTRS)

Kvaternik, Raymond G.; Bartlett, Felton D., Jr.; Cline, John H.

1988-01-01

The requirement for low vibrations has achieved the status of a critical design consideration in modern helicopters. There is now a recognized need to account for vibrations during both the analytical and experimental phases of design. Research activities in this area were both broad and varied and notable advances were made in recent years in the critical elements of the technology base needed to achieve the goal of a jet smooth ride. The purpose is to present an overview of accomplishments and current activities of govern and government-sponsored research in the area of rotorcraft vibrations and structural dynamics, focusing on NASA and Army contributions over the last decade or so. Specific topics addressed include: airframe finite-element modeling for static and dynamic analyses, analysis of coupled rotor-airframe vibrations, optimization of airframes subject to vibration constraints, active and passive control of vibrations in both the rotating and fixed systems, and integration of testing and analysis in such guises as modal analysis, system identification, structural modification, and vibratory loads measurement.

Development of a radial-torsional vibration hybrid type ultrasonic motor with a hollow and short cylindrical structure.

PubMed

Wang, Jian; Guo, Jifeng

2009-05-01

A longitudinal-torsional hybrid-type ultrasonic motor has larger torque and lower revolution speed compared with other kinds of ultrasonic motors. It drives devices directly and precisely, so it is adaptable to many fields, especially aeronautics and astronautics, as a servo actuator. Due to the different sound propagation speeds of longitudinal and torsional vibrations in the stator, it is difficult to match resonant frequencies of longitudinal and torsional vibrations. In this paper, a new radial-torsional vibration hybrid-type ultrasonic motor is put forward, which utilizes longitudinal vibration derived from radial vibration by the Poisson effect. The short, hollow cylindrical structure easily makes resonant frequencies of first-order radial and torsional vibrations into degeneracy. First, the new structure of the motor is presented. Second, the principle of matching the resonant frequencies is developed, and the motor geometry is optimized by ANSYS software. Finally, a 60-mm diameter prototype is fabricated, which performs well. The no-load velocity and maximum torque are 25 r/min and 5 N x m, respectively. This kind of motor is small, light, and noiseless.

Fluid-structure coupling in the guide vanes cascade of a pump-turbine scale model

NASA Astrophysics Data System (ADS)

Roth, S.; Hasmatuchi, V.; Botero, F.; Farhat, M.; Avellan, F.

2010-08-01

The present study concerns fluid-structure coupling phenomena occurring in a guide vane cascade of a pump-turbine scale model placed in the EPFL PF3 test rig. An advanced instrument set is used to monitor both vibrating structures and the surrounding flow. The paper highlights the interaction between vibrating guide vanes and the flow behavior. The pressure fluctuations in the stay vanes region are found to be strongly influenced by the amplitude of the vibrating guide vanes. Moreover, the flow induces different hydrodynamic damping on the vibrating guide vanes depending on the operating point of the pump-turbine.

14 CFR 23.251 - Vibration and buffeting.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration and buffeting. 23.251 Section 23... Requirements § 23.251 Vibration and buffeting. There must be no vibration or buffeting severe enough to result in structural damage, and each part of the airplane must be free from excessive vibration, under any...

14 CFR 23.251 - Vibration and buffeting.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration and buffeting. 23.251 Section 23... Requirements § 23.251 Vibration and buffeting. There must be no vibration or buffeting severe enough to result in structural damage, and each part of the airplane must be free from excessive vibration, under any...

Coherent fifth-order visible-infrared spectroscopies: ultrafast nonequilibrium vibrational dynamics in solution.

PubMed

Lynch, Michael S; Slenkamp, Karla M; Cheng, Mark; Khalil, Munira

2012-07-05

Obtaining a detailed description of photochemical reactions in solution requires measuring time-evolving structural dynamics of transient chemical species on ultrafast time scales. Time-resolved vibrational spectroscopies are sensitive probes of molecular structure and dynamics in solution. In this work, we develop doubly resonant fifth-order nonlinear visible-infrared spectroscopies to probe nonequilibrium vibrational dynamics among coupled high-frequency vibrations during an ultrafast charge transfer process using a heterodyne detection scheme. The method enables the simultaneous collection of third- and fifth-order signals, which respectively measure vibrational dynamics occurring on electronic ground and excited states on a femtosecond time scale. Our data collection and analysis strategy allows transient dispersed vibrational echo (t-DVE) and dispersed pump-probe (t-DPP) spectra to be extracted as a function of electronic and vibrational population periods with high signal-to-noise ratio (S/N > 25). We discuss how fifth-order experiments can measure (i) time-dependent anharmonic vibrational couplings, (ii) nonequilibrium frequency-frequency correlation functions, (iii) incoherent and coherent vibrational relaxation and transfer dynamics, and (iv) coherent vibrational and electronic (vibronic) coupling as a function of a photochemical reaction.

Extension of vibrational power flow techniques to two-dimensional structures

NASA Technical Reports Server (NTRS)

Cuschieri, Joseph M.

1988-01-01

In the analysis of the vibration response and structure-borne vibration transmission between elements of a complex structure, statistical energy analysis (SEA) or finite element analysis (FEA) are generally used. However, an alternative method is using vibrational power flow techniques which can be especially useful in the mid frequencies between the optimum frequency regimes for SEA and FEA. Power flow analysis has in general been used on 1-D beam-like structures or between structures with point joints. In this paper, the power flow technique is extended to 2-D plate-like structures joined along a common edge without frequency or spatial averaging the results, such that the resonant response of the structure is determined. The power flow results are compared to results obtained using FEA results at low frequencies and SEA at high frequencies. The agreement with FEA results is good but the power flow technique has an improved computational efficiency. Compared to the SEA results the power flow results show a closer representation of the actual response of the structure.

Extension of vibrational power flow techniques to two-dimensional structures

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1987-01-01

In the analysis of the vibration response and structure-borne vibration transmission between elements of a complex structure, statistical energy analysis (SEA) or Finite Element Analysis (FEA) are generally used. However, an alternative method is using vibrational power flow techniques which can be especially useful in the mid- frequencies between the optimum frequency regimes for FEA and SEA. Power flow analysis has in general been used on one-dimensional beam-like structures or between structures with point joints. In this paper, the power flow technique is extended to two-dimensional plate like structures joined along a common edge without frequency or spatial averaging the results, such that the resonant response of the structure is determined. The power flow results are compared to results obtained using FEA at low frequencies and SEA at high frequencies. The agreement with FEA results is good but the power flow technique has an improved computational efficiency. Compared to the SEA results the power flow results show a closer representation of the actual response of the structure.

Vibration ride comfort criteria

NASA Technical Reports Server (NTRS)

Dempsey, T. K.; Leatherwood, J. D.

1976-01-01

Results are presented for an experimental study directed to derive equal vibration discomfort curves, to determine the influence of vibration masking in order to account for the total discomfort of any random vibration, and to develop a scale of total vibration discomfort in the case of human response to whole-body vertical vibration. Discomfort is referred to as a subjective discomfort associated with the acceleration level of a particular frequency band. It is shown that passenger discomfort to whole-body vibration increases linearly with acceleration level for each frequency. Empirical data provide a mechanism for determining the degree of masking (or summation) of the discomfort of multiple frequency vibration. A scale for the prediction of passenger discomfort is developed.

Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Rodrigues, Vítor Hugo Nunes; Ahmad, Shabbir

2018-03-01

The present work is focused on the crystal structure, vibrational spectroscopy and DFT calculations of hydrogen bonded 2,3-pyrazinedicorboxylic acid and 2-amino-4-hydroxy-6-methylpyrimidine (PDCA-.AHMP+) crystal. The crystal structure has been determined using single crystal X-ray diffraction analysis which shows that the crystal belongs to monoclinic space group P21/n. The PDCA-.AHMP+ crystal has been characterized by FTIR, FT-Raman and FT-NMR spectroscopic techniques. The FTIR and FT-Raman spectra of the complex have unique spectroscopic feature as compared with those of the starting material to confirm salt formation. The theoretical vibrational studies have been performed to understand the modes of the vibrations of asymmetric unit of the complex by DFT methods. Hirschfeld surface and 2D fingerprint plots analyses were carried out to investigate the intermolecular interactions and its contribution in the building of PDCA-.AHMP+ crystal. The experimental and simulated 13C and 1H NMR studies have assisted in structural analysis of PDCA-.AHMP+ crystal. The electronic spectroscopic properties of the complex were explored by the experimental as well as theoretical electronic spectra simulated using TD-DFT/IEF-PCM method at B3LYP/6-311++G (d,p) level of theory. In addition, frontier molecular orbitals, molecular electrostatic potential map (MEP) and nonlinear optical (NLO) properties using DFT method have been also presented.

Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing study.

PubMed

Pathak, Arup Kumar; Mukherjee, Tulsi; Maity, Dilip Kumar

2010-01-18

The vibrational (IR and Raman) and photoelectron spectral properties of hydrated iodine-dimer radical-anion clusters, I(2)(*-) x n H(2)O (n=1-10), are presented. Several initial guess structures are considered for each size of cluster to locate the global minimum-energy structure by applying a Monte Carlo simulated annealing procedure including spin-orbit interaction. In the Raman spectrum, hydration reduces the intensity of the I-I stretching band but enhances the intensity of the O-H stretching band of water. Raman spectra of more highly hydrated clusters appear to be simpler than the corresponding IR spectra. Vibrational bands due to simultaneous stretching vibrations of O-H bonds in a cyclic water network are observed for I(2)(*-) x n H(2)O clusters with n > or = 3. The vertical detachment energy (VDE) profile shows stepwise saturation that indicates closing of the geometrical shell in the hydrated clusters on addition of every four water molecules. The calculated VDE of finite-size small hydrated clusters is extrapolated to evaluate the bulk VDE value of I(2)(*-) in aqueous solution as 7.6 eV at the CCSD(T) level of theory. Structure and spectroscopic properties of these hydrated clusters are compared with those of hydrated clusters of Cl(2)(*-) and Br(2)(*-).

Investigations of vibrational spectra and bioactivity of novel anticancer drug N-(6-ferrocenyl-2-naphthoyl)-gamma-amino butyric acid ethyl ester

NASA Astrophysics Data System (ADS)

Sudhi, Geethu; Rajina, S. R.; Praveen, S. G.; Xavier, T. S.; Kenny, Peter T. M.; Jaiswal-Nagar, D.; Binoy, J.

2017-10-01

The bioactivity of compounds is mainly dependent on molecular structure and the present work aims to explore the bonding features responsible for biological activity of novel anticancer drug N-(6-ferrocenyl-2-naphthoyl)-gamma-amino butyric acid ethyl ester (FNGABEE). In the present study, we investigate the molecular structural properties of newly synthesized title compound through experimental and quantum chemical studies. The detailed vibrational analysis has been performed using FT IR and FT Raman spectrum, aided by DFT computed geometry, vibrational spectrum, Eigen vector distribution and PED, at B3LYP/6-311 ++G(d,p) level. The resonance structure of naphthalene, different from that of benzene, revealed by molecular structure has been investigated using Csbnd C and Cdbnd C stretching modes. The proton transfer in amide has been analyzed to obtain spectral distinction between different carbonyl and Csbnd N groups which point to the reactive sites responsible for binding with DNA and bovine serum albumin (BSA). The spectral distinction between eclipsed and staggered form of ferrocene has been analyzed. The molecular docking of FNGABEE with BSA and DNA has been performed to find the strength of binding and the moieties responsible for the interactions. The experimental binding studies of FNGABEE with BSA and DNA has been performed using UV absorption spectroscopy and fluorometric assay, to find the nature and strength of binding.

Analysis of Piezoelectric Actuator for Vibration Control of Composite plate

NASA Astrophysics Data System (ADS)

Gomaa, Ahmed R.; Hai, Huang

2017-07-01

Vibration analysis is studied numerically in this paper for a simply supported composite plate subjected to external loadings. Vibrations are controlled by using piezoelectric patches. Finite element method (ANSYS) is used for obtaining finite element model of the smart plate structure, a layered composite plate is manufactured experimentally and tested to obtain the structure mechanical properties. Different piezoelectric patch areas and different applied gain voltage effects on vibration attenuation is studied. The numerical solution is compared with the experimental work, a good agreement achieved.

Vibration-based monitoring for performance evaluation of flexible civil structures in Japan.

PubMed

Fujino, Yozo

2018-01-01

The vibration-based monitoring of flexible civil structures and performance evaluation from this monitoring are reviewed, with an emphasis on research and practice in Japan and the author's experiences. Some new findings and unexpected vibrations from the monitoring of real bridges and buildings are reported to emphasize the importance of monitoring. Future developments and applications of vibration-based monitoring to civil infrastructure management are also described. Many examples are taken from the author's past 30 years' experience of research on bridge dynamics.

Analysis of the vibronic structure of the trans-stilbene fluorescence and excitation spectra: the S0 and S1 PES along the Ce[double bond, length as m-dash]Ce and Ce-Cph torsions.

PubMed

Orlandi, Giorgio; Garavelli, Marco; Zerbetto, Francesco

2017-09-20

We analyze the highly resolved vibronic structure of the low energy (≤200 cm -1 ) region of the fluorescence and fluorescence excitation spectra of trans-stilbene in supersonic beams. In this spectral region the vibronic structure is associated mainly with vibrational levels of the C e -C e torsion (τ) and the a u combination of the two C e -C ph bond twisting (ϕ). We base this analysis on the well-established S 0 (τ, ϕ) two-dimensional potential energy surface (PES) and on a newly refined S 1 (τ, ϕ) PES. We obtain vibrational eigenvalues and eigenvectors of the anharmonic S 0 (τ, ϕ) and S 1 (τ, ϕ) PES using a numerical procedure based on the Meyer's flexible model [R. Meyer, J. Mol. Spectrosc., 1979, 76, 266]. Then we derive Franck-Condon factors and therefore intensities of the relevant vibronic bands for the S 0 → S 1 excitation and S 1 → S 0 fluorescence spectra. Furthermore, we assess the role of the b g combination of the two C e -C ph bond twisting (ν 48 ) in the structure of the S 1 → S 0 fluorescence spectra. By the use of these results we are able to assign most of the low energy vibrational levels of the S 0 → S 1 excitation spectra and of the fluorescence spectra of the emission from several low energy S 1 vibronic levels. The good agreement between the observed and the computed vibrational structure of the S 0 → S 1 and S 1 → S 0 spectra suggests that the proposed picture of the E 1 (τ, ϕ) and E 0 (τ, ϕ) PES, in particular along the coordinate τ governing trans-cis photo-isomerization in S 1 , is accurate. In S 0 , the barriers for the C e [double bond, length as m-dash]C e torsion and for the a u type C e -C ph bond twisting are 16 080 cm -1 and 3125 cm -1 , respectively, while in S 1 , where the bond orders of the C e [double bond, length as m-dash]C e and C e -C ph bonds are reversed, the two barriers become 1350 cm -1 and 8780 cm -1 , respectively.

Specification and correlation of the sine vibration environment for Viking '75

NASA Technical Reports Server (NTRS)

Snyder, R. E.; Trummel, M.; Wada, B. K.; Pohlen, J. C.

1974-01-01

Two Viking spacecraft will be individually launched on a new Titan IIIE/Centaur D-1T launch vehicle in August 1975. The method for the establishment of spacecraft sine vibration test levels prior to availability of any Titan IIIE/Centaur D-1T flight data by use of both computer simulations and data from previous Titan and Atlas Centaur vehicles is described. The specification level is compared with actual flight data obtained from a proof flight launch of the Titan IIIE/Centaur D-1T and a Viking dynamic simulator in January 1974. An objective of the proof flight launch was to obtain estimates of the flight loads and environments. The criteria used to minimize the structural weight that would result from an unmodified application of a sine test environment are described.

A Study in a New Test Facility on Indoor Annoyance Caused by Sonic Booms

NASA Technical Reports Server (NTRS)

Rathsam, Jonathan; Loubeau, Alexandra; Klos, Jacob

2012-01-01

A sonic-boom simulator at NASA Langley Research Center has been constructed to research the indoor human response to low-amplitude sonic booms. The research goal is the development of a psychoacoustic model for individual sonic booms to be validated by future community studies. The study in this report assessed the suitability of existing noise metrics for predicting indoor human annoyance. The test signals included a wide range of synthesized and recorded sonic-boom waveforms. Results indicated that no noise metric predicts indoor annoyance to sonic-boom sounds better than Perceived Level, PL. During the study it became apparent that structural vibrations induced by the test signals were contributing to annoyance, so the relationship between sound and vibration at levels of equivalent annoyance has been quantified.

An investigation into the probabilistic combination of quasi-static and random accelerations

NASA Technical Reports Server (NTRS)

Schock, R. W.; Tuell, L. P.

1984-01-01

The development of design load factors for aerospace and aircraft components and experiment support structures, which are subject to a simultaneous vehicle dynamic vibration (quasi-static) and acoustically generated random vibration, require the selection of a combination methodology. Typically, the procedure is to define the quasi-static and the random generated response separately, and arithmetically add or root sum square to get combined accelerations. Since the combination of a probabilistic and a deterministic function yield a probabilistic function, a viable alternate approach would be to determine the characteristics of the combined acceleration probability density function and select an appropriate percentile level for the combined acceleration. The following paper develops this mechanism and provides graphical data to select combined accelerations for most popular percentile levels.

A bio-inspired structural health monitoring system based on ambient vibration

NASA Astrophysics Data System (ADS)

Lin, Tzu-Kang; Kiremidjian, Anne; Lei, Chi-Yang

2010-11-01

A structural health monitoring (SHM) system based on naïve Bayesian (NB) damage classification and DNA-like expression data was developed in this research. Adapted from the deoxyribonucleic acid (DNA) array concept in molecular biology, the proposed structural health monitoring system is constructed utilizing a double-tier regression process to extract the expression array from the structural time history recorded during external excitations. The extracted array is symbolized as the various genes of the structure from the viewpoint of molecular biology and reflects the possible damage conditions prevalent in the structure. A scaled down, six-story steel building mounted on the shaking table of the National Center for Research on Earthquake Engineering (NCREE) was used as the benchmark. The structural response at different damage levels and locations under ambient vibration was collected to support the database for the proposed SHM system. To improve the precision of detection in practical applications, the system was enhanced by an optimization process using the likelihood selection method. The obtained array representing the DNA array of the health condition of the structure was first evaluated and ranked. A total of 12 groups of expression arrays were regenerated from a combination of four damage conditions. To keep the length of the array unchanged, the best 16 coefficients from every expression array were selected to form the optimized SHM system. Test results from the ambient vibrations showed that the detection accuracy of the structural damage could be greatly enhanced by the optimized expression array, when compared to the original system. Practical verification also demonstrated that a rapid and reliable result could be given by the final system within 1 min. The proposed system implements the idea of transplanting the DNA array concept from molecular biology into the field of SHM.

Structures of Mo2Oy- and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations.

PubMed

Yoder, Bruce L; Maze, Joshua T; Raghavachari, Krishnan; Jarrold, Caroline Chick

2005-03-01

The competitive structural isomers of the Mo(2)O(y) (-)Mo(2)O(y) (y=2, 3, and 4) clusters are investigated using a combination of anion photoelectron (PE) spectroscopy and density functional theory calculations. The PE spectrum and calculations for MoO(3) (-)MoO(3) are also presented to show the level of agreement to be expected between the spectra and calculations. For MoO(3) (-) and MoO(3), the calculations predict symmetric C(3v) structures, an adiabatic electron affinity of 3.34 eV, which is above the observed value 3.17(2) eV. However, there is good agreement between observed and calculated vibrational frequencies and band profiles. The PE spectra of Mo(2)O(2) (-) and Mo(2)O(3) (-) are broad and congested, with partially resolved vibrational structure on the lowest energy bands observed in the spectra. The electron affinities (EA(a)s) of the corresponding clusters are 2.24(2) and 2.33(7) eV, respectively. Based on the calculations, the most stable structure of Mo(2)O(2) (-) is Y shaped, with the two Mo atoms directly bonded. Assignment of the Mo(2)O(3) (-) spectrum is less definitive, but a O-Mo-O-Mo-O structure is more consistent with overall electronic structure observed in the spectrum. The PE spectrum of Mo(2)O(4) (-) shows cleanly resolved vibrational structure and electronic bands, and the EA of the corresponding Mo(2)O(4) is determined to be 2.13(4) eV. The structure most consistent with the observed spectrum has two oxygen bridge bonds between the Mo atoms.

Genetic Optimization of a Tensegrity Structure

NASA Technical Reports Server (NTRS)

Taylor, Jaime R.

2002-01-01

Marshall Space Flight Center (MSFC) is charged with developing advanced technologies for space telescopes. The next generation of space optics will be very large and lightweight. Tensegrity structures are built of compressive members (bars), and tensile members (strings). For most materials, the tensile strength of a longitudinal member is larger than its buckling strength; therefore a large stiffness to mass ratio can be achieved by increasing the use of tensile members. Tensegrities are the epitome of lightweight structures, since they take advantage of the larger tensile strength of materials. The compressive members of tensegrity structures are disjoint allowing compact storage of the structure. The structure has the potential to eliminate the requirement for assembly by man in space; it can be deployed by adjustments in its cable tension. A tensegrity structure can be more reliably modeled since none of the individual members experience bending moments. (Members that experience deformation in more than one dimension are much harder to model.) A. Keane and S. Brown designed a satellite boom truss system with an enhanced vibration performance. They started with a standard truss system, then used a genetic algorithm to alter the design, while optimizing the vibration performance. An improvement of over 20,000% in frequency-averaged energy levels was obtained using this approach. In this report an introduction to tensegrity structures is given, along with a description of how to generate the nodal coordinates and connectivity of a multiple stage cylindrical tensegrity structure. A description of how finite elements can be used to develop a stiffness and mass matrix so that the modes of vibration can be determined from the eigenvalue problem is shown. A brief description of a micro genetic algorithm is then presented.

Ground vibration test results for Drones for Aerodynamic and Structural Testing (DAST)/Aeroelastic Research Wing (ARW-1R) aircraft

NASA Technical Reports Server (NTRS)

Cox, T. H.; Gilyard, G. B.

1986-01-01

The drones for aerodynamic and structural testing (DAST) project was designed to control flutter actively at high subsonic speeds. Accurate knowledge of the structural model was critical for the successful design of the control system. A ground vibration test was conducted on the DAST vehicle to determine the structural model characteristics. This report presents and discusses the vibration and test equipment, the test setup and procedures, and the antisymmetric and symmetric mode shape results. The modal characteristics were subsequently used to update the structural model employed in the control law design process.

14 CFR 33.63 - Vibration.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration. 33.63 Section 33.63 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... because of vibration and without imparting excessive vibration forces to the aircraft structure. [Doc. No...

14 CFR 33.63 - Vibration.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 33.63 Section 33.63 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... because of vibration and without imparting excessive vibration forces to the aircraft structure. [Doc. No...

14 CFR 33.63 - Vibration.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration. 33.63 Section 33.63 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... because of vibration and without imparting excessive vibration forces to the aircraft structure. [Doc. No...

Multi-rotor internal rotations and conformational equilibria in oxiraneethanol and assignment of its vibrational spectra

NASA Astrophysics Data System (ADS)

Badawi, Hassan M.; Ali, Shaikh A.

2009-09-01

The complex internal rotations and conformational equilibria in oxiraneethanol were investigated at the DFT-B3LYP/6-311G** level of theory. Four minima were predicted in the CCOH potential energy scans of the molecule to have relative energies of about 2 kcal/mol or less and all were calculated to have real frequencies upon full optimization of structural parameters and the calculation of the Gibb's free-energies at the DFT level of calculation. At the DFT-B3LYP, the MP2 and the MP4(SDQ) levels of theory, the G1gg1 conformation, predicted to be the lowest energy conformation for oxiraneethanol, was in excellent agreement with the rotational microwave study. The equilibrium mixture was calculated to be about 47% G1gg1, 32% Cg1g, 15% Gg1t and 6% G1g1g at the B3LYP/6-311G** level of theory at 298.15 K. Solvent study corroborated the presence of the high energy Cg1g form in the liquid phase of oxiraneethanol. The vibrational frequencies of oxiraneethanol in its two stable forms were computed at the B3LYP level and vibrational assignments were made for the two lowest energy G1gg1 and Cg1g forms on the basis of calculated and experimental data of the molecule.

Non-Adiabatic Effects on Excited States of Vinylidene Observed with Slow Photoelectron Velocity-Map Imaging.

PubMed

DeVine, Jessalyn A; Weichman, Marissa L; Zhou, Xueyao; Ma, Jianyi; Jiang, Bin; Guo, Hua; Neumark, Daniel M

2016-12-21

High-resolution slow photoelectron velocity-map imaging spectra of cryogenically cooled X̃ 2 B 2 H 2 CC - and D 2 CC - in the region of the vinylidene triplet excited states are reported. Three electronic bands are observed and, with the assistance of electronic structure calculations and quantum dynamics on ab initio-based near-equilibrium potential energy surfaces, are assigned as detachment to the [Formula: see text] 3 B 2 (T 1 ), b̃ 3 A 2 (T 2 ), and à 1 A 2 (S 1 ) excited states of neutral vinylidene. This work provides the first experimental observation of the à singlet excited state of H 2 CC. While regular vibrational structure is observed for the ã and à electronic bands, a number of irregular features are resolved in the vicinity of the b̃ band vibrational origin. High-level ab initio calculations suggest that this anomalous structure arises from a conical intersection between the ã and b̃ triplet states near the b̃ state minimum, which strongly perturbs the vibrational levels in the two electronic states through nonadiabatic coupling. Using the adiabatic electron affinity of H 2 CC previously measured to be 0.490(6) eV by Ervin and co-workers [J. Chem. Phys. 1989, 91, 5974], term energies for the excited neutral states of H 2 CC are found to be T 0 (ã 3 B 2 ) = 2.064(6), T 0 (b̃ 3 A 2 ) = 2.738(6), and T 0 (à 1 A 2 ) = 2.991(6) eV.

Vibration syndrome in chipping and grinding workers.

PubMed

1984-10-01

A clear conclusion from these studies is that vibration syndrome occurs in chipping and grinding workers in this country and that earlier reports that it may not exist were probably inaccurate. The careful selection of exposed and control groups for analysis strengthens the observed association between vibration syndrome and the occupational use of pneumatic chipping hammers and grinding tools. In the foundry populations studied the vibration syndrome was severe, with short latencies and high prevalences of the advanced stages. The shipyard population did not display this pattern. This difference can be attributed to variations in work practices but the more important factor seems to be the effect of incentive work schedules. Comparisons of groups of hourly and incentive workers from the shipyard and within foundry populations consistently demonstrated that incentive work was associated with increased severity of vibration syndrome. Excessive vibration levels were measured on chipping and grinding tools. Of the factors studied, reduction of throttle level decreased the vibration levels measured on chipping hammers. For grinders, the working condition of the tool affected the measured vibration acceleration levels. Grinders receiving average to poor maintenance showed higher vibration levels. The results of objective clinical testing did not yield tests with diagnostic properties. To date, the clinical judgment of the physician remains the primary focus of the diagnosis of vibration syndrome. A number of actions can be taken to prevent vibration syndrome. Preplacement medical examinations can identify workers predisposed to or experiencing Raynaud's phenomenon or disease. Informing employees and employers about the signs, symptoms, and consequences of vibration syndrome can encourage workers to report the condition to their physicians promptly. Engineering approaches to preventing vibration syndrome include increased quality control on castings to reduce finishing time and automation of the finishing process. Tool manufacturers can contribute by modifying or redesigning tools to reduce vibration. The technology to reduce vibration from hand tools exists but the engineering application is difficult. Vibration from chain saws has been reduced through changes in design and some companies have begun to redesign jackhammers, scalers, grinders, and chipping hammers. As these become available, purchasers can encourage manufacturers by selecting tools with antivibration characteristics. Vibration from tools currently in use can be controlled by periodically scheduled inspection and maintenance programs for vibrating tools.(ABSTRACT TRUNCATED AT 400 WORDS)

Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2(-).

PubMed

Wolke, Conrad T; DeBlase, Andrew F; Leavitt, Christopher M; McCoy, Anne B; Johnson, Mark A

2015-12-31

To understand how the D2d oxalate scaffold (C2O4)(2-) distorts upon capture of a proton, we report the vibrational spectra of the cryogenically cooled HO2CCO2(-) anion and its deuterated isotopologue DO2CCO2(-). The transitions associated with the skeletal vibrations and OH bending modes are sharp and are well described by inclusion of cubic terms in the normal mode expansion of the potential surface through an extended Fermi resonance analysis. The ground state structure features a five-membered ring with an asymmetric intramolecular proton bond. The spectral signatures of the hydrogen stretches, on the contrary, are surprisingly diffuse, and this behavior is not anticipated by the extended Fermi scheme. We trace the diffuse bands to very strong couplings between the high-frequency OH-stretch and the low-frequency COH bends as well as heavy particle skeletal deformations. A simple vibrationally adiabatic model recovers this breadth of oscillator strength as a 0 K analogue of the motional broadening commonly used to explain the diffuse spectra of H-bonded systems at elevated temperatures, but where these displacements arise from the configurations present at the vibrational zero-point level.

Towards a global model of spin-orbit coupling in the halocarbenes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nyambo, Silver; Karshenas, Cyrus; Reid, Scott A., E-mail: scott.reid@marquette.edu, E-mail: dawesr@mst.edu

We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written inmore » terms of a purely electronic spin-orbit matrix element which is independent of nuclear coordinates, and an integral representing the overlap of the singlet and triplet vibrational wavefunctions. In this way, the structures, harmonic frequencies, and normal mode displacements from ab initio calculations were used to calculate the vibrational overlaps of the singlet and triplet state levels, including the full effects of Duschinsky mixing. These calculations have allowed many new assignments to be made, particularly for CHI, and provided spin-orbit coupling parameters and values for the singlet-triplet gaps. In a second approach, we have computed and fit full geometry dependent spin-orbit coupling surfaces and used them to compute matrix elements without the product form approximation. Those matrix elements were used in similar fits varying the anharmonic constants and singlet-triplet gap to reproduce the experimental levels. The derived spin-orbit parameters for carbenes CHX (X = Cl, Br, and I) show an excellent linear correlation with the atomic spin-orbit constant of the corresponding halogen, indicating that the spin-orbit coupling in the carbenes is consistently around 14% of the atomic value.« less

Concorde Noise-Induced Building Vibrations, Montgomery County, Maryland

NASA Technical Reports Server (NTRS)

Mayes, W. H.; Scholl, H. F.; Stephens, D. G.; Holliday, B. G.; Deloach, R.; Finley, T. D.; Holmes, H. K.; Lewis, R. B.; Lynch, J. W.

1976-01-01

A series of studies are reported to assess the noise induced building vibrations associated with Concorde operations. The levels of induced vibration and associated indoor/outdoor noise levels resulting from aircraft and nonaircraft events in selected homes, historic and other buildings near Dulles International Airport were recorded. The building response resulting from aircraft operations was found to be directly proportional to the overall sound pressure level and approximately independent of the aircraft type. The noise levels and, consequently, the response levels were observed to be higher for the Concorde operations than for the CTOL operations. Furthermore, the vibration could be closely reproduced by playing aircraft noise through a loudspeaker system located near the vibration measurement location. Nonaircraft events such as door closing were again observed to result in higher response levels than those induced by aircraft.

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

PubMed Central

Kalogerakis, Konstantinos S.; Matsiev, Daniel; Cosby, Philip C.; Dodd, James A.; Falcinelli, Stefano; Hedin, Jonas; Kutepov, Alexander A.; Noll, Stefan; Panka, Peter A.; Romanescu, Constantin; Thiebaud, Jérôme E.

2018-01-01

The question of whether mesospheric OH(υ) rotational population distributions are in equilibrium with the local kinetic temperature has been debated over several decades. Despite several indications for the existence of non-equilibrium effects, the general consensus has been that emissions originating from low rotational levels are thermalized. Sky spectra simultaneously observing several vibrational levels demonstrated reproducible trends in the extracted OH(υ) rotational temperatures as a function of vibrational excitation. Laboratory experiments provided information on rotational energy transfer and direct evidence for fast multi-quantum OH(high-υ) vibrational relaxation by O atoms. We examine the relationship of the new relaxation pathways with the behavior exhibited by OH(υ) rotational population distributions. Rapid OH(high-υ) + O multi-quantum vibrational relaxation connects high and low vibrational levels and enhances the hot tail of the OH(low-υ) rotational distributions. The effective rotational temperatures of mesospheric OH(υ) are found to deviate from local thermodynamic equilibrium for all observed vibrational levels. PMID:29503514

Single walled boron nitride nanotube-based biosensor: an atomistic finite element modelling approach.

PubMed

Panchal, Mitesh B; Upadhyay, Sanjay H

2014-09-01

The unprecedented dynamic characteristics of nanoelectromechanical systems make them suitable for nanoscale mass sensing applications. Owing to superior biocompatibility, boron nitride nanotubes (BNNTs) are being increasingly used for such applications. In this study, the feasibility of single walled BNNT (SWBNNT)-based bio-sensor has been explored. Molecular structural mechanics-based finite element (FE) modelling approach has been used to analyse the dynamic behaviour of SWBNNT-based biosensors. The application of an SWBNNT-based mass sensing for zeptogram level of mass has been reported. Also, the effect of size of the nanotube in terms of length as well as different chiral atomic structures of SWBNNT has been analysed for their sensitivity analysis. The vibrational behaviour of SWBNNT has been analysed for higher-order modes of vibrations to identify the intermediate landing position of biological object of zeptogram scale. The present molecular structural mechanics-based FE modelling approach is found to be very effectual to incorporate different chiralities of the atomic structures. Also, different boundary conditions can be effectively simulated using the present approach to analyse the dynamic behaviour of the SWBNNT-based mass sensor. The presented study has explored the potential of SWBNNT, as a nanobiosensor having the capability of zeptogram level mass sensing.

Synthesis, structural characterization and comparison of experimental and theoretical results by DFT level of molecular structure of 4-(4-methoxyphenethyl)-3,5-dimethyl-4H-1,2,4-triazole.

PubMed

Düğdü, Esra; Ünver, Yasemin; Ünlüer, Dilek; Tanak, Hasan; Sancak, Kemal; Köysal, Yavuz; Işık, Şamil

2013-05-01

4-(4-Methoxyphenethyl)-3,5-dimethyl-4H-1,2,4-triazole (3) was synthesized from the reaction of ethyl N'-acetylacetohydrazonate (1) with 2-(4-methoxyphenyl)ethanamine (2). The structure of the title compound 3 has been inferred through IR, (1)H/(13)C NMR, mass spectrometry, elemental analyses and combination of X-ray crystallography and theoretical methods. In addition to the molecular geometry from X-ray determination, the molecular geometry and vibrational frequencies of the title compound 3 in the ground state, were calculated using the density functional method (B3LYP) with the 6-31G(d) basis set. The calculated results show that the optimized geometry can well reproduce the crystal structure and the theoretical vibrational frequencies show good agreement with experimental values. The nonlinear optical properties are also addressed theoretically. The predicted nonlinear optical properties of 3 are greater than ones of urea. In addition, DFT calculations of molecular electrostatic potentials and frontier molecular orbitals of the title compound were carried out at the B3LYP/6-31G(d) level of theory. Copyright © 2012. Published by Elsevier B.V.

Structural, vibrational, DFT and optical studies of a new non-centrosymmetric hybrid material (C4H12N2)[CoBr4

NASA Astrophysics Data System (ADS)

Tllili, Hafsia; Walha, Sandra; Elleuch, Slim; Fares Ali, Basem; Naïli, Houcine

2018-01-01

The crystals of the new organic-inorganic material (C4H12N2)[CoBr4] were grown by slow evaporation technique in aqueous solution and characterized by X-ray diffraction, infrared absorption, Raman spectroscopy scattering and thermal analysis. It crystallizes at room temperature in the non-centrosymmetric space group P212121. The structure is built from isolated [CoBr4]2- anions and piperazinediium (C4H12N2)2+ cations which are connected by a network of Nsbnd H⋯Br hydrogen bonds. Theoretical calculations were performed using density functional theory with the B3LYP/LanL2DZ level for studying the molecular structure and vibrational spectra of the title compound. TDDFT calculations at the same level of theory was undertaken to investigate the electronic properties. Good adhesion is observed between calculated and experimental results. The optical study reveals that the title compound undergoes three optical absorption bands at 641, 666 and 698 nm, respectively with an energy gap estimated to 2.23 eV. Based upon this value and the non-centrosymetric character of the structure, the title compound may show several interesting applications in the field of optoelectronics.

Towards fundamental understanding of ultracold KRb

NASA Astrophysics Data System (ADS)

Kotochigova, Svetlana

2009-05-01

The recent formation of ultracold KRb molecules in their absolute rovibrational ground state [1] has created great promise for study of collective phenomena that rely on the long-range interactions between polar molecules. Here we discuss the theoretical analysis of various essential properties of the KRb molecules [2] that accompanied these experimental advances. This analysis is based on multi-channel bound-state calculations of both ground and excited electronic states. We have found that the theoretical hyperfine and Zeeman mixed X^1&+circ; and a^3&+circ; vibrational structure shows excellent agreement with the experimentally observed structure. In addition, multi-channel calculations of the rovibrational structure of the excited state potentials have allowed us to find the optimal transitions to the lowest v=0 vibrational levels. Finally, we examine the dynamic polarizability of vibrationally cold KRb molecules as a function of laser frequency. Based on this knowledge, laser frequencies can be selected to minimize decoherence from loss of molecules due to spontaneous or laser-induced transitions. [1] K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Peer, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science 322, 231 (2008). [2] S. Kotochigova, E. Tiesinga, and P. S. Julienne, submitted to New J. Phys. (2009).

The molecular, electronic structures and vibrational spectra of metal-free, N,N'-dideuterio and magnesium tetra-2,3-pyridino-porphyrazines: Density functional calculations.

PubMed

Liu, Zhongqiang; Zhang, Xianxi; Zhang, Yuexing; Li, Renjie; Jiang, Jianzhuang

2006-10-01

A theoretical investigation of the fully optimized geometries and electronic structures of the metal-free (TPdPzH(2)), N,N'-dideuterio (TPdPzD(2)), and magnesium (TPdPzMg) tetra-2,3-pyridino-porphyrazine has been conducted based on density functional theory. The optimized geometries at density functional theory level for these compounds are reported here for the first time. A comparison between the different molecules for the geometry, molecular orbital, and atomic charge is made. The substituent effect of the N atoms on the molecular structures of these compounds is discussed. The IR and Raman spectra for these three compounds have also been calculated at density functional B3LYP level using the 6-31G(d) basis set. Detailed assignments of the NH, NM, and pyridine ring vibrational bands in the IR and Raman spectra have been made based on assistance of animated pictures. The simulated IR spectra of TPdPzH(2) are compared with the experimental absorption spectra, and very good consistency has been found. The isotope effect on the IR and Raman spectra is also discussed.

Imaging vibration of the cochlear partition of an excised guinea pig cochlea using phase-sensitive Fourier domain optical coherence tomography

NASA Astrophysics Data System (ADS)

Choudhury, Niloy; Zeng, Yaguang; Fridberger, Anders; Chen, Fangyi; Zha, Dingjun; Nuttall, Alfred L.; Wang, Ruikang K.

2011-03-01

Studying the sound stimulated vibrations of various membranes that form the complex structure of the organ of Corti in the cochlea of the inner ear is essential for understanding how the travelling sound wave of the basilar membrane couples its energy to the organ structures. In this paper we report the feasibility of using phase-sensitive Fourier domain optical coherence tomography (FD-OCT) to image the vibration of various micro-structures of the cochlea at the same time. An excised cochlea of a guinea pig was stimulated using sounds at various frequencies and vibration image was obtained. When measuring the apex area, vibration signal from different turns, which have different best response frequencies are obtained in the same image. The method has the potential to measure the response from a much wider region of the cochlea than any other currently used method. The noise floor for vibration image for the system at 200 Hz was ~0.3nm.

Experimental Evaluation of a Structure-Based Connectionist Network for Fault Diagnosis of Helicopter Gearboxes

NASA Technical Reports Server (NTRS)

Jammu, V. B.; Danai, K.; Lewicki, D. G.

1998-01-01

This paper presents the experimental evaluation of the Structure-Based Connectionist Network (SBCN) fault diagnostic system introduced in the preceding article. For this vibration data from two different helicopter gearboxes: OH-58A and S-61, are used. A salient feature of SBCN is its reliance on the knowledge of the gearbox structure and the type of features obtained from processed vibration signals as a substitute to training. To formulate this knowledge, approximate vibration transfer models are developed for the two gearboxes and utilized to derive the connection weights representing the influence of component faults on vibration features. The validity of the structural influences is evaluated by comparing them with those obtained from experimental RMS values. These influences are also evaluated ba comparing them with the weights of a connectionist network trained though supervised learning. The results indicate general agreement between the modeled and experimentally obtained influences. The vibration data from the two gearboxes are also used to evaluate the performance of SBCN in fault diagnosis. The diagnostic results indicate that the SBCN is effective in directing the presence of faults and isolating them within gearbox subsystems based on structural influences, but its performance is not as good in isolating faulty components, mainly due to lack of appropriate vibration features.

ER fluid applications to vibration control devices and an adaptive neural-net controller

NASA Astrophysics Data System (ADS)

Morishita, Shin; Ura, Tamaki

1993-07-01

Four applications of electrorheological (ER) fluid to vibration control actuators and an adaptive neural-net control system suitable for the controller of ER actuators are described: a shock absorber system for automobiles, a squeeze film damper bearing for rotational machines, a dynamic damper for multidegree-of-freedom structures, and a vibration isolator. An adaptive neural-net control system composed of a forward model network for structural identification and a controller network is introduced for the control system of these ER actuators. As an example study of intelligent vibration control systems, an experiment was performed in which the ER dynamic damper was attached to a beam structure and controlled by the present neural-net controller so that the vibration in several modes of the beam was reduced with a single dynamic damper.

Vibration characteristics and damage detection in a suspension bridge

NASA Astrophysics Data System (ADS)

Wickramasinghe, Wasanthi R.; Thambiratnam, David P.; Chan, Tommy H. T.; Nguyen, Theanh

2016-08-01

Suspension bridges are flexible and vibration sensitive structures that exhibit complex and multi-modal vibration. Due to this, the usual vibration based methods could face a challenge when used for damage detection in these structures. This paper develops and applies a mode shape component specific damage index (DI) to detect and locate damage in a suspension bridge with pre-tensioned cables. This is important as suspension bridges are large structures and damage in them during their long service lives could easily go un-noticed. The capability of the proposed vibration based DI is demonstrated through its application to detect and locate single and multiple damages with varied locations and severity in the cables of the suspension bridge. The outcome of this research will enhance the safety and performance of these bridges which play an important role in the transport network.

Robust integral variable structure controller and pulse-width pulse-frequency modulated input shaper design for flexible spacecraft with mismatched uncertainty/disturbance.

PubMed

Hu, Qinglei

2007-10-01

This paper presents a dual-stage control system design method for the flexible spacecraft attitude maneuvering control by use of on-off thrusters and active vibration control by input shaper. In this design approach, attitude control system and vibration suppression were designed separately using lower order model. As a stepping stone, an integral variable structure controller with the assumption of knowing the upper bounds of the mismatched lumped perturbation has been designed which ensures exponential convergence of attitude angle and angular velocity in the presence of bounded uncertainty/disturbances. To reconstruct estimates of the system states for use in a full information variable structure control law, an asymptotic variable structure observer is also employed. In addition, the thruster output is modulated in pulse-width pulse-frequency so that the output profile is similar to the continuous control histories. For actively suppressing the induced vibration, the input shaping technique is used to modify the existing command so that less vibration will be caused by the command itself, which only requires information about the vibration frequency and damping of the closed-loop system. The rationale behind this hybrid control scheme is that the integral variable structure controller can achieve good precision pointing, even in the presence of uncertainties/disturbances, whereas the shaped input attenuator is applied to actively suppress the undesirable vibrations excited by the rapid maneuvers. Simulation results for the spacecraft model show precise attitude control and vibration suppression.

Model identification of terfenol-D magnetostrictive actuator for precise positioning control

NASA Astrophysics Data System (ADS)

Saleem, Ashraf; Ghodsi, Mojtaba; Mesbah, Mostefa; Ozer, Abdullah

2016-04-01

Feedback control strategies are desirable for disturbance rejection of human-induced vibrations in civil engineering structures as human walking forces cannot easily be measured. In relation to human-induced vibration control studies, most past researches have focused on floors and footbridges and the widely used linear controller implemented in the trials has been the direct velocity feedback (DVF) scheme. With appropriate compensation to enhance its robustness, it has been shown to be effective at damping out the problematic modes of vibration of the structures in which the active vibration control systems have been implemented. The work presented here introduces a disturbance observer (DOB) that is used with an outer-loop DVF controller. Results of analytical studies presented in this work based on the dynamic properties of a walkway bridge structure demonstrate the potential of this approach for enhancing the vibration mitigation performance offered by a purely DVF controller. For example, estimates of controlled frequency response functions indicate improved attenuation of vibration around the dominant frequency of the walkway bridge structure as well as at higher resonant frequencies. Controlled responses from three synthesized walking excitation forces on a walkway bridge structure model show that the inclusion of the disturbance observer with an outer loop DVF has potential to improve on the vibration mitigation performance by about 3.5% at resonance and 6-10% off-resonance. These are realised with hard constraints being imposed on the low frequency actuator displacements.

A data driven control method for structure vibration suppression

NASA Astrophysics Data System (ADS)

Xie, Yangmin; Wang, Chao; Shi, Hang; Shi, Junwei

2018-02-01

High radio-frequency space applications have motivated continuous research on vibration suppression of large space structures both in academia and industry. This paper introduces a novel data driven control method to suppress vibrations of flexible structures and experimentally validates the suppression performance. Unlike model-based control approaches, the data driven control method designs a controller directly from the input-output test data of the structure, without requiring parametric dynamics and hence free of system modeling. It utilizes the discrete frequency response via spectral analysis technique and formulates a non-convex optimization problem to obtain optimized controller parameters with a predefined controller structure. Such approach is then experimentally applied on an end-driving flexible beam-mass structure. The experiment results show that the presented method can achieve competitive disturbance rejections compared to a model-based mixed sensitivity controller under the same design criterion but with much less orders and design efforts, demonstrating the proposed data driven control is an effective approach for vibration suppression of flexible structures.

Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters

NASA Astrophysics Data System (ADS)

Lee, Jin Yong; Kim, Jongseob; Lee, Han Myoung; Tarakeshwar, P.; Kim, Kwang S.

2000-10-01

The water hexamer is known to have a number of isoenergetic structures. The first experimental identification of the O-H stretching vibrational spectra of the water hexamer was done in the presence of benzene. It was followed by the identification of the pure water hexamer structure by vibration-rotational tunneling (VRT) spectroscopy. Although both experiments seem to have located only the Cage structure, the structure of the benzene-water hexamer complex is not clearly known, and the effect of benzene in the water hexamer is unclear. In particular, it is not obvious how the energy difference between nearly isoenergetic water hexamer conformers changes in the presence of benzene. Thus, we have compared the benzene complexes with four low-lying isoenergetic water hexamers, Ring, Book, Cage, and Prism structures, using ab initio calculations. We also investigated the effects of the presence of benzene on the structures, harmonic vibrational frequencies, and infrared (IR) intensities for the four low-lying energy conformers. There is little change in the structure of the water hexamer upon its interaction with the benzene molecule. Hence the deformation energies are very small. The dominant contribution to the benzene-water cluster interaction mainly comes from the π-H interactions between benzene and a single water molecule. As a result of this π-H interaction, O-Hπ bond length increases and the corresponding stretching vibrational frequencies are redshifted. The IR spectral features of both (H2O)6 and benzene-(H2O)6 are quite similar. From both the energetics and the comparison of calculated and experimental spectra of the benzene-(H2O)6, the water structure in these complexes is found to have the Cage form. In particular, among the four different Cage structures, only one conformer matches the experimental O-H vibrational frequencies.

Mirjana Dimitrievska | NREL

Science.gov Websites

understanding the structure-dependent vibrational properties and reorientational behavior of different alkali Sad, Serbia Featured Publications M. Dimitrievska et al., "Structure-dependent vibrational : Structure and luminescence," J. Phys. Chem. C 120(33), 18887-18894 (2016). DOI: http://dx.doi.org

Ride quality criteria. [transportation system interior and passenger response to environment

NASA Technical Reports Server (NTRS)

Stephens, D. G.

1977-01-01

Ride quality refers to the interior or passenger environment of a transportation system as well as the passenger response to the environment. Ride quality factors are illustrated with the aid of a diagram presenting inputs to vehicle, the vehicle transfer function, the ride environment, the passenger response function, and the passenger ride response. The reported investigation considers the ride environment as measured on a variety of air and surface vehicles, the passenger response to the environment as determined from laboratory and field surveys, and criteria/standards for vibration, noise, and combined stimuli. Attention is given to the vertical vibration characteristics in cruise for aircraft and automobile, the aircraft vibration levels for various operating regimes, comparative noise levels during cruise, the discomfort level for a 9 Hz sinusoidal vibration, equal discomfort contours for vertical vibration, subjective response to noise in a speech situation, and noise and vibration levels for constant discomfort contours.

Effect of vibration duration on human discomfort. [passenger comfort and random vibration

NASA Technical Reports Server (NTRS)

Clevenson, S. A.; Dempsey, T. K.; Leatherwood, J. D.

1978-01-01

The duration effects of random vertical vibration on passenger discomfort were studied in a simulated section of an aircraft cabin configured to seat six persons in tourist-class style. Variables of the study included time of exposure (0.25 min to 60 min) and the rms amplitude of vibration (0.025g to 0.100g). The vibrations had a white noise spectrum with a bandwidth of 10 Hz centered at 5 Hz. Data indicate that the discomfort threshold occurred at an rms vertical acceleration level of 0.027g for all durations of vibration. However, for acceleration levels that exceeded the discomfort threshold, a systematic decrease in discomfort occurred as a function of increasing duration of vibration. For the range of accelerations used, the magnitude of the discomfort decrement was shown to be independent of acceleration level. The results suggest that discomfort from vertical vibration applied in the frequency range at which humans are most sensitive decreases with longer exposure, which is the opposite of the recommendation of the International Standard ISO 2631-1974 (E) Guide for the Evaluation of Human Exposure to Whole-Body Vibration.

Nondestructive structural evaluation of wood floor systems with a vibration technique.

Treesearch

Xiping Wang; Robert J. Ross; Lawrence Andrew Soltis

2002-01-01

The objective of this study was to determine if transverse vibration methods could be used to effectively assess the structural integrity of wood floors as component systems. A total of 10 wood floor systems, including 3 laboratory-built floor sections and 7 in-place floors in historic buildings, were tested. A forced vibration method was applied to the floor systems...

[Morphological structure of suprarenal glands in experimental vibration-induced pathology].

PubMed

Kapanadze, N A; Abzianidze, E N; Sumbadze, Ts M; Korkiia, I I; Amiranidze, M V

2009-01-01

Technical progress has caused development of vibration-induced pathology, which is determined by harmful factors or environmental effects. The harmful factors include physical factors--noise, mechanical vibrations, low temperature, high humidity of the air and incorrect lighting. The aim of our study was the investigation of morphological changes in suprarenal glands under condition of vibration-induced pathology. The experiment was conducted on 20 grown-up white male rats weighting 180-200 g. The animals were daily under an hour vibration during 2 months. The vibration frequency was modulated by means of a general vibration. After an experiment, animals were decapitated in condition of general anesthesia. The experiment revealed important changes in the morphological structure of suprarenal glands. The vibration pathology causes following changes: vessels' and sinusoid capillaries' uneven widening, develop the infiltrate cells, bleeding areas, necrosis and other changes. Based on above-stated it is supposed that technical progress and introduction of new technologies is one of the risk factors, which can cause neurohumoral disorders.

Very highly excited vibrational states of LiCN using a discrete variable representation

NASA Astrophysics Data System (ADS)

Henderson, James R.; Tennyson, Jonathan

Calculations are presented for the lowest 900 vibrational (J = 0) states of the LiCN floppy system for a two dimensional potential energy surface (rCN frozen). Most of these states lie well above the barrier separating the two linear isomers of the molecule and the point where the classical dynamics of the system becomes chaotic. Analysis of the wavefunctions of individual states in the high energy region shows that while most have an irregular nodal structure, a significant number of states appear regular - corresponding to solutions of standard, 'mode localized' hamiltonians. Motions corresponding in zero-order to Li-CN and Li-NC normal modes as well as free rotor states are identified. The distribution of level spacings is also studied and yields results in good agreement with those obtained by analysing nodal structures.

Modal interactions due to friction in the nonlinear vibration response of the "Harmony" test structure: Experiments and simulations

NASA Astrophysics Data System (ADS)

Claeys, M.; Sinou, J.-J.; Lambelin, J.-P.; Todeschini, R.

2016-08-01

The nonlinear vibration response of an assembly with friction joints - named "Harmony" - is studied both experimentally and numerically. The experimental results exhibit a softening effect and an increase of dissipation with excitation level. Modal interactions due to friction are also evidenced. The numerical methodology proposed groups together well-known structural dynamic methods, including finite elements, substructuring, Harmonic Balance and continuation methods. On the one hand, the application of this methodology proves its capacity to treat a complex system where several friction movements occur at the same time. On the other hand, the main contribution of this paper is the experimental and numerical study of evidence of modal interactions due to friction. The simulation methodology succeeds in reproducing complex form of dynamic behavior such as these modal interactions.

Predicting the conditions under which vibroacoustic resonances with external periodic loads occur in the primary coolant circuits of VVER-based NPPs

NASA Astrophysics Data System (ADS)

Proskuryakov, K. N.; Fedorov, A. I.; Zaporozhets, M. V.

2015-08-01

The accident at the Japanese Fukushima Daiichi nuclear power plant (NPP) caused by an earthquake showed the need of taking further efforts aimed at improving the design and engineering solutions for ensuring seismic resistance of NPPs with due regard to mutual influence of the dynamic processes occurring in the NPP building structures and process systems. Resonance interaction between the vibrations of NPP equipment and coolant pressure pulsations leads to an abnormal growth of dynamic stresses in structural materials, accelerated exhaustion of equipment service life, and increased number of sudden equipment failures. The article presents the results from a combined calculation-theoretical and experimental substantiation of mutual amplification of two kinds of external periodic loads caused by rotation of the reactor coolant pump (RCP) rotor and an earthquake. The data of vibration measurements at an NPP are presented, which confirm the predicted multiple amplification of vibrations in the steam generator and RCP at a certain combination of coolant thermal-hydraulic parameters. It is shown that the vibration frequencies of the main equipment may fall in the frequency band corresponding to the maximal values in the envelope response spectra constructed on the basis of floor accelerograms. The article presents the results from prediction of conditions under which vibroacoustic resonances with external periodic loads take place, which confirm the occurrence of additional earthquake-induced multiple growth of pressure pulsation intensity in the steam generator at the 8.3 Hz frequency and additional multiple growth of vibrations of the RCP and the steam generator cold header at the 16.6 Hz frequency. It is shown that at the elastic wave frequency equal to 8.3 Hz in the coolant, resonance occurs with the frequency of forced vibrations caused by the rotation of the RCP rotor. A conclusion is drawn about the possibility of exceeding the design level of equipment vibrations under the effect of external periodic loads caused by an earthquake when the vibration frequency of the reactor plant main equipment and the frequency of elastic waves fall in the frequency band corresponding to the maximal values of envelope response spectra.

Vibration and shape control of hinged light structures using electromagnetic forces

NASA Astrophysics Data System (ADS)

Matsuzaki, Yuji; Miyachi, Shigenobu; Sasaki, Toshiyuki

2003-08-01

This paper describes a new electromagnetic device for vibration control of a light-weighted deployable/retractable structure which consists of many small units connected with mechanical hinges. A typical example of such a structure is a solar cell paddle of an artificial satellite which is composed of many thin flexible blankets connected in series. Vibration and shape control of the paddle is not easy, because control force and energy do not transmit well between the blankets which are discretely connected by hinges with each other. The new device consists of a permanent magnet glued along an edge of a blanket and an electric current-conducting coil glued along an adjoining edge of another adjacent blanket. Conduction of the electric current in a magnetic field from the magnet generates an electromagnetic force on the coil. By changing the current in the coil, therefore, we may control the vibration and shape of the blankets. To confirm the effectiveness of the new device, constructing a simple paddle model consisting eight hinge- panels, we have carried out a model experiment of vibration and shape control of the paddle. In addition, a numerical simulation of vibration control of the hinge structure is performed to compare with measured data.

Full-scale measurements and system identification on Sutong cable-stayed bridge during Typhoon Fung-Wong.

PubMed

Wang, Hao; Tao, Tianyou; Guo, Tong; Li, Jian; Li, Aiqun

2014-01-01

The structural health monitoring system (SHMS) provides an effective tool to conduct full-scale measurements on existing bridges for essential research on bridge wind engineering. In July 2008, Typhoon Fung-Wong lashed China and hit Sutong cable-stayed bridge (SCB) in China. During typhoon period, full-scale measurements were conducted to record the wind data and the structural vibration responses were collected by the SHMS installed on SCB. Based on the statistical method and the spectral analysis technique, the measured data are analyzed to obtain the typical parameters and characteristics. Furthermore, this paper analyzed the measured structural vibration responses and indicated the vibration characteristics of the stay cable and the deck, the relationship between structural vibrations and wind speed, the comparison of upstream and downstream cable vibrations, the effectiveness of cable dampers, and so forth. Considering the significance of damping ratio in vibration mitigation, the modal damping ratios of the SCB are identified based on the Hilbert-Huang transform (HHT) combined with the random decrement technique (RDT). The analysis results can be used to validate the current dynamic characteristic analysis methods, buffeting calculation methods, and wind tunnel test results of the long-span cable-stayed bridges.

Full-Scale Measurements and System Identification on Sutong Cable-Stayed Bridge during Typhoon Fung-Wong

PubMed Central

Tao, Tianyou; Li, Aiqun

2014-01-01

The structural health monitoring system (SHMS) provides an effective tool to conduct full-scale measurements on existing bridges for essential research on bridge wind engineering. In July 2008, Typhoon Fung-Wong lashed China and hit Sutong cable-stayed bridge (SCB) in China. During typhoon period, full-scale measurements were conducted to record the wind data and the structural vibration responses were collected by the SHMS installed on SCB. Based on the statistical method and the spectral analysis technique, the measured data are analyzed to obtain the typical parameters and characteristics. Furthermore, this paper analyzed the measured structural vibration responses and indicated the vibration characteristics of the stay cable and the deck, the relationship between structural vibrations and wind speed, the comparison of upstream and downstream cable vibrations, the effectiveness of cable dampers, and so forth. Considering the significance of damping ratio in vibration mitigation, the modal damping ratios of the SCB are identified based on the Hilbert-Huang transform (HHT) combined with the random decrement technique (RDT). The analysis results can be used to validate the current dynamic characteristic analysis methods, buffeting calculation methods, and wind tunnel test results of the long-span cable-stayed bridges. PMID:24995367

Validation of finite element and boundary element methods for predicting structural vibration and radiated noise

NASA Technical Reports Server (NTRS)

Seybert, A. F.; Wu, X. F.; Oswald, Fred B.

1992-01-01

Analytical and experimental validation of methods to predict structural vibration and radiated noise are presented. A rectangular box excited by a mechanical shaker was used as a vibrating structure. Combined finite element method (FEM) and boundary element method (BEM) models of the apparatus were used to predict the noise radiated from the box. The FEM was used to predict the vibration, and the surface vibration was used as input to the BEM to predict the sound intensity and sound power. Vibration predicted by the FEM model was validated by experimental modal analysis. Noise predicted by the BEM was validated by sound intensity measurements. Three types of results are presented for the total radiated sound power: (1) sound power predicted by the BEM modeling using vibration data measured on the surface of the box; (2) sound power predicted by the FEM/BEM model; and (3) sound power measured by a sound intensity scan. The sound power predicted from the BEM model using measured vibration data yields an excellent prediction of radiated noise. The sound power predicted by the combined FEM/BEM model also gives a good prediction of radiated noise except for a shift of the natural frequencies that are due to limitations in the FEM model.

Vibrational spectroscopic studies, NLO, HOMO-LUMO and electronic structure calculations of α,α,α-trichlorotoluene using HF and DFT.

PubMed

Govindarajan, M; Karabacak, M; Periandy, S; Xavier, S

2012-08-01

FT-IR and FT-Raman spectra of α,α,α-trichlorotoluene have been recorded and analyzed. The geometry, fundamental vibrational frequencies are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on density functional theory (DFT) B3LYP/6-311++G(d,p) method and a comparative study between HF level and various basis sets combination. The fundamental vibrational wavenumbers as well as their intensities were calculated and a good agreement between observed and scaled calculated wavenumbers has been achieved. The complete vibrational assignments of wavenumbers are made on the basis of potential energy distribution (PED). The effects due to the substitutions of methyl group and halogen were investigated. The absorption energy and oscillator strength are calculated by time-dependent density functional theory (TD-DFT). The electric dipole moment, polarizability and the first hyperpolarizability values of the α,α,α-trichlorotoluene have been calculated. (1)H NMR chemical shifts were calculated by using the gauge independent atomic orbital (GIAO) method with HF and B3LYP methods with 6-311++G(d,p) basis set. Moreover, molecular electrostatic potential (MEP) and thermodynamic properties were performed. Mulliken and natural charges of the title molecule were also calculated and interpreted. Copyright © 2012 Elsevier B.V. All rights reserved.

Molecular structure, vibrational, electronic and thermal properties of 4-vinylcyclohexene by quantum chemical calculations

NASA Astrophysics Data System (ADS)

Nagabalasubramanian, P. B.; Periandy, S.; Karabacak, Mehmet; Govindarajan, M.

2015-06-01

The solid phase FT-IR and FT-Raman spectra of 4-vinylcyclohexene (abbreviated as 4-VCH) have been recorded in the region 4000-100 cm-1. The optimized molecular geometry and vibrational frequencies of the fundamental modes of 4-VCH have been precisely assigned and analyzed with the aid of structure optimizations and normal coordinate force field calculations based on density functional theory (DFT) method at 6-311++G(d,p) level basis set. The theoretical frequencies were properly scaled and compared with experimentally obtained FT-IR and FT-Raman spectra. Also, the effect due the substitution of vinyl group on the ring vibrational frequencies was analyzed and a detailed interpretation of the vibrational spectra of this compound has been made on the basis of the calculated total energy distribution (TED). The time dependent DFT (TD-DFT) method was employed to predict its electronic properties, such as electronic transitions by UV-Visible analysis, HOMO and LUMO energies, molecular electrostatic potential (MEP) and various global reactivity and selectivity descriptors (chemical hardness, chemical potential, softness, electrophilicity index). Stability of the molecule arising from hyper conjugative interaction, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Atomic charges obtained by Mulliken population analysis and NBO analysis are compared. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures are also calculated.

Shunted Piezoelectric Vibration Damping Analysis Including Centrifugal Loading Effects

NASA Technical Reports Server (NTRS)

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

2011-01-01

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

Sampling considerations for modal analysis with damping

NASA Astrophysics Data System (ADS)

Park, Jae Young; Wakin, Michael B.; Gilbert, Anna C.

2015-03-01

Structural health monitoring (SHM) systems are critical for monitoring aging infrastructure (such as buildings or bridges) in a cost-effective manner. Wireless sensor networks that sample vibration data over time are particularly appealing for SHM applications due to their flexibility and low cost. However, in order to extend the battery life of wireless sensor nodes, it is essential to minimize the amount of vibration data these sensors must collect and transmit. In recent work, we have studied the performance of the Singular Value Decomposition (SVD) applied to the collection of data and provided new finite sample analysis characterizing conditions under which this simple technique{also known as the Proper Orthogonal Decomposition (POD){can correctly estimate the mode shapes of the structure. Specifically, we provided theoretical guarantees on the number and duration of samples required in order to estimate a structure's mode shapes to a desired level of accuracy. In that previous work, however, we considered simplified Multiple-Degree-Of-Freedom (MDOF) systems with no damping. In this paper we consider MDOF systems with proportional damping and show that, with sufficiently light damping, the POD can continue to provide accurate estimates of a structure's mode shapes. We support our discussion with new analytical insight and experimental demonstrations. In particular, we study the tradeoffs between the level of damping, the sampling rate and duration, and the accuracy to which the structure's mode shapes can be estimated.

Influence of Type of Frequency Weighting Function On VDV Analysis

NASA Astrophysics Data System (ADS)

Kowalska-Koczwara, Alicja; Stypuła, Krzysztof

2017-10-01

Transport vibrations are the subject of many research, mostly their influence on structural elements of the building is investigated. However, nowadays, especially in the centres of large cities were apartments, residential buildings are closer to the transport vibration sources, an increasing attention is given to providing vibrational comfort to humans in buildings. Currently, in most countries, two main methods of evaluation are used: root mean squared method (RMS) and vibration dose value (VDV). In this article, VDV method is presented and the analysis of the weighting functions selection on value of VDV is made. Measurements required for the analysis were made in Krakow, on masonry, residential, two storey building located in the city centre. The building is subjected into two transport vibration sources: tram passages and vehicle passages on very close located road. Measurement points were located on the basement wall at ground level to control the excitation and in the middle of the floor on the highest storey (in the place where people percept vibration). The room chosen for measurements is located closest to the transport excitation sources. During the measurements, 25 vibration events were recorded and analysed. VDV values were calculated for three different weighting functions according to standard: ISO 2631-1, ISO 2631-2 and BS-6841. Differences in VDV values are shown, but also influence of the weighting function selection on result of evaluation is also presented. VDV analysis was performed not only for the individual vibration event but also all day and night vibration exposure were calculated using formulas contained in the annex to the standard BS-6841. It is demonstrated that, although there are differences in the values of VDV, an influence on all day and night exposure is no longer so significant.

Effect of situational, attitudinal and demographic factors on railway vibration annoyance in residential areas.

PubMed

Peris, Eulalia; Woodcock, James; Sica, Gennaro; Sharp, Calum; Moorhouse, Andrew T; Waddington, David C

2014-01-01

Railway induced vibration is an important source of annoyance among residents living in the vicinity of railways. Annoyance increases with vibration magnitude. However, these correlations between the degree of annoyance and vibration exposure are weak. This suggests that railway vibration induced annoyance is governed by more than just vibration level and therefore other factors may provide information to understand the wide variation in annoyance reactions. Factors coming into play when considering an exposure-response relationship between level of railway vibration and annoyance are presented. The factors investigated were: attitudinal, situational and demographic factors. This was achieved using data from field studies comprised of face-to-face interviews and internal vibration measurements (N = 755). It was found that annoyance scores were strongly influenced by two attitudinal factors: Concern of property damage and expectations about future levels of vibration. Type of residential area and age of the respondent were found to have an important effect on annoyance whereas visibility of the railway and time spent at home showed a significant but small influence. These results indicate that future railway vibration policies and regulations focusing on community impact need to consider additional factors for an optimal assessment of railway effects on residential environments.

Correlation of finite-element structural dynamic analysis with measured free vibration characteristics for a full-scale helicopter fuselage

NASA Technical Reports Server (NTRS)

Kenigsberg, I. J.; Dean, M. W.; Malatino, R.

1974-01-01

The correlation achieved with each program provides the material for a discussion of modeling techniques developed for general application to finite-element dynamic analyses of helicopter airframes. Included are the selection of static and dynamic degrees of freedom, cockpit structural modeling, and the extent of flexible-frame modeling in the transmission support region and in the vicinity of large cut-outs. The sensitivity of predicted results to these modeling assumptions are discussed. Both the Sikorsky Finite-Element Airframe Vibration analysis Program (FRAN/Vibration Analysis) and the NASA Structural Analysis Program (NASTRAN) have been correlated with data taken in full-scale vibration tests of a modified CH-53A helicopter.

Vibrational structure of the S 2 (1B u) excited state of diphenyloctatetraene observed by femtosecond stimulated Raman spectroscopy

NASA Astrophysics Data System (ADS)

Kukura, Philipp; McCamant, David W.; Davis, Paul H.; Mathies, Richard A.

2003-11-01

Femtosecond time-resolved stimulated Raman spectroscopy (FSRS) is used to study the vibrational structure and dynamics of the S 2 state of diphenyloctatetraene. Strong vibrational features at 1184, 1259 and 1578 cm -1 whose linewidths are determined by the S 2 electronic lifetime are observed at early times after photoexcitation at 397 nm. Kinetic analysis of the integrated Raman intensities as well as the transient absorption reveals an exponential decay of the S 2 state on the order of 100 fs. These results demonstrate the ability of FSRS to study the vibrational structure of excited state and chemical reaction dynamics on the femtosecond timescale.

A procedure obtaining stiffnesses and masses of a structure from vibration modes and substructure static test data

NASA Technical Reports Server (NTRS)

Edighoffer, H. H.

1979-01-01

A component mode desynthesis procedure is developed for determining the unknown vibration characteristics of a structural component (i.e., a launch vehicle) given the vibration characteristics of a structural system composed of that component combined with a known one (i.e., a payload). At least one component static test has to be performed. These data are used in conjunction with the system measured frequencies and mode shapes to obtain the vibration characteristics of each component. The flight dynamics of an empty launch vehicle can be determined from measurements made on a vehicle/payload combination in conjunction with a static test on the payload.

A Noise Level Prediction Method Based on Electro-Mechanical Frequency Response Function for Capacitors

PubMed Central

Zhu, Lingyu; Ji, Shengchang; Shen, Qi; Liu, Yuan; Li, Jinyu; Liu, Hao

2013-01-01

The capacitors in high-voltage direct-current (HVDC) converter stations radiate a lot of audible noise which can reach higher than 100 dB. The existing noise level prediction methods are not satisfying enough. In this paper, a new noise level prediction method is proposed based on a frequency response function considering both electrical and mechanical characteristics of capacitors. The electro-mechanical frequency response function (EMFRF) is defined as the frequency domain quotient of the vibration response and the squared capacitor voltage, and it is obtained from impulse current experiment. Under given excitations, the vibration response of the capacitor tank is the product of EMFRF and the square of the given capacitor voltage in frequency domain, and the radiated audible noise is calculated by structure acoustic coupling formulas. The noise level under the same excitations is also measured in laboratory, and the results are compared with the prediction. The comparison proves that the noise prediction method is effective. PMID:24349105

A noise level prediction method based on electro-mechanical frequency response function for capacitors.

PubMed

Zhu, Lingyu; Ji, Shengchang; Shen, Qi; Liu, Yuan; Li, Jinyu; Liu, Hao

2013-01-01

The capacitors in high-voltage direct-current (HVDC) converter stations radiate a lot of audible noise which can reach higher than 100 dB. The existing noise level prediction methods are not satisfying enough. In this paper, a new noise level prediction method is proposed based on a frequency response function considering both electrical and mechanical characteristics of capacitors. The electro-mechanical frequency response function (EMFRF) is defined as the frequency domain quotient of the vibration response and the squared capacitor voltage, and it is obtained from impulse current experiment. Under given excitations, the vibration response of the capacitor tank is the product of EMFRF and the square of the given capacitor voltage in frequency domain, and the radiated audible noise is calculated by structure acoustic coupling formulas. The noise level under the same excitations is also measured in laboratory, and the results are compared with the prediction. The comparison proves that the noise prediction method is effective.

A close inspection and vibration sensing aerial robot for steel structures with an EPM-based landing device

NASA Astrophysics Data System (ADS)

Takeuchi, Kazuya; Masuda, Arata; Akahori, Shunsuke; Higashi, Yoshiyuki; Miura, Nanako

2017-04-01

This paper proposes an aerial robot that can land on and cling to a steel structure using electric permanent magnets to be- have as a vibration sensor probe for use in vibration-based structural health monitoring. In the last decade, structural health monitoring techniques have been studied intensively to tackle with serious social issues that most of the infrastructures in advanced countries are being deteriorated. In the typical concept of the structural health monitoring, vibration sensors like accelerometers are installed in the structure to continuously collect the dynamical response of the operating structure to find a symptom of the structural damage. It is unreasonable, however, to permanently deploy the sensors to numerous infrastructures because most of the infrastructures except for those of primary importance do not need continuous measurement and evaluation. In this study, the aerial robot plays a role of a mobile detachable sensor unit. The design guidelines of the aerial robot that performs the vibration measurement from the analysis model of the robot is shown. Experiments to evaluate the frequency response function of the acceleration measured by the robot with respect to the acceleration at the point where the robot adheres are carried out. And the experimental results show that the prototype robot can measure the acceleration of the host structure accurately up to 150 Hz.

Anomalous Structural Disorder in Supported Pt Nanoparticles

DOE PAGES

Vila, Fernando D.; Rehr, John J.; Nuzzo, Ralph G.; ...

2017-07-02

Supported Pt nanocatalysts generally exhibit anomalous behavior, including negative thermal expansion and large structural disorder. Finite temperature DFT/MD simulations reproduce these properties, showing that they are largely explained by a combination of thermal vibrations and low-frequency disorder. We show in this paper that a full interpretation is more complex and that the DFT/MD mean-square relative displacements (MSRD) can be further separated into vibrational disorder, “dynamic structural disorder” (DSD), and long-time equilibrium fluctuations of the structure dubbed “anomalous structural disorder” (ASD). We find that the vibrational and DSD components behave normally, increasing linearly with temperature while the ASD decreases, reflecting themore » evolution of mean nanoparticle geometry. Finally, as a consequence the usual procedure of fitting the MSRD to normal vibrations plus temperature-independent static disorder results in unphysical bond strengths and Grüneisen parameters.« less

Mounting Systems for Structural Members, Fastening Assemblies Thereof, and Vibration Isolation Systems Including the Same

NASA Technical Reports Server (NTRS)

Young, Ken (Inventor); Hindle, Timothy (Inventor); Barber, Tim Daniel (Inventor)

2016-01-01

Mounting systems for structural members, fastening assemblies thereof, and vibration isolation systems including the same are provided. Mounting systems comprise a pair of mounting brackets, each clamped against a fastening assembly forming a mounting assembly. Fastening assemblies comprise a spherical rod end comprising a spherical member having a through opening and an integrally threaded shaft, first and second seating members on opposite sides of the spherical member and each having a through opening that is substantially coaxial with the spherical member through opening, and a partially threaded fastener that threadably engages each mounting bracket forming the mounting assembly. Structural members have axial end portions, each releasably coupled to a mounting bracket by the integrally threaded shaft. Axial end portions are threaded in opposite directions for permitting structural member rotation to adjust a length thereof to a substantially zero strain position. Structural members may be vibration isolator struts in vibration isolation systems.

Similitude design for the vibration problems of plates and shells: A review

NASA Astrophysics Data System (ADS)

Zhu, Yunpeng; Wang, You; Luo, Zhong; Han, Qingkai; Wang, Deyou

2017-06-01

Similitude design plays a vital role in the analysis of vibration and shock problems encountered in large engineering equipment. Similitude design, including dimensional analysis and governing equation method, is founded on the dynamic similitude theory. This study reviews the application of similitude design methods in engineering practice and summarizes the major achievements of the dynamic similitude theory in structural vibration and shock problems in different fields, including marine structures, civil engineering structures, and large power equipment. This study also reviews the dynamic similitude design methods for thin-walled and composite material plates and shells, including the most recent work published by the authors. Structure sensitivity analysis is used to evaluate the scaling factors to attain accurate distorted scaling laws. Finally, this study discusses the existing problems and the potential of the dynamic similitude theory for the analysis of vibration and shock problems of structures.

Smart Screening System (S3) In Taconite Processing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Daryoush Allaei; Angus Morison; David Tarnowski

2005-09-01

The conventional screening machines used in processing plants have had undesirable high noise and vibration levels. They also have had unsatisfactorily low screening efficiency, high energy consumption, high maintenance cost, low productivity, and poor worker safety. These conventional vibrating machines have been used in almost every processing plant. Most of the current material separation technology uses heavy and inefficient electric motors with an unbalanced rotating mass to generate the shaking. In addition to being excessively noisy, inefficient, and high-maintenance, these vibrating machines are often the bottleneck in the entire process. Furthermore, these motors, along with the vibrating machines and supportingmore » structure, shake other machines and structures in the vicinity. The latter increases maintenance costs while reducing worker health and safety. The conventional vibrating fine screens at taconite processing plants have had the same problems as those listed above. This has resulted in lower screening efficiency, higher energy and maintenance cost, and lower productivity and workers safety concerns. The focus of this work is on the design of a high performance screening machine suitable for taconite processing plants. SmartScreens{trademark} technology uses miniaturized motors, based on smart materials, to generate the shaking. The underlying technologies are Energy Flow Control{trademark} and Vibration Control by Confinement{trademark}. These concepts are used to direct energy flow and confine energy efficiently and effectively to the screen function. The SmartScreens{trademark} technology addresses problems related to noise and vibration, screening efficiency, productivity, and maintenance cost and worker safety. Successful development of SmartScreens{trademark} technology will bring drastic changes to the screening and physical separation industry. The final designs for key components of the SmartScreens{trademark} have been developed. The key components include smart motor and associated electronics, resonators, and supporting structural elements. It is shown that the smart motors have an acceptable life and performance. Resonator (or motion amplifier) designs are selected based on the final system requirement and vibration characteristics. All the components for a fully functional prototype are fabricated. The development program is on schedule. The last semi-annual report described the process of FE model validation and correlation with experimental data in terms of dynamic performance and predicted stresses. It also detailed efforts into making the supporting structure less important to system performance. Finally, an introduction into the dry application concept was presented. Since then, the design refinement phase was completed. This has resulted in a Smart Screen design that meets performance targets both in the dry condition and with taconite slurry flow using PZT motors. Furthermore, this system was successfully demonstrated for the DOE and partner companies at the Coleraine Mineral Research Laboratory in Coleraine, Minnesota.« less

The control of flexible structure vibrations using a cantilevered adaptive truss

NASA Technical Reports Server (NTRS)

Wynn, Robert H., Jr.; Robertshaw, Harry H.

1991-01-01

Analytical and experimental procedures and design tools are presented for the control of flexible structure vibrations using a cantilevered adaptive truss. Simulated and experimental data are examined for three types of structures: a slender beam, a single curved beam, and two curved beams. The adaptive truss is shown to produce a 6,000-percent increase in damping, demonstrating its potential in vibration control. Good agreement is obtained between the simulated and experimental data, thus validating the modeling methods.

Recent advances in micro-vibration isolation

NASA Astrophysics Data System (ADS)

Liu, Chunchuan; Jing, Xingjian; Daley, Steve; Li, Fengming

2015-05-01

Micro-vibration caused by disturbance sources onboard spacecraft can severely degrade the working environment of sensitive payloads. Some notable vibration control methods have been developed particularly for the suppression or isolation of micro-vibration over recent decades. Usually, passive isolation techniques are deployed in aerospace engineering. Active isolators, however, are often proposed to deal with the low frequency vibration that is common in spacecraft. Active/passive hybrid isolation has also been effectively used in some spacecraft structures for a number of years. In semi-active isolation systems, the inherent structural performance can be adjusted to deal with variation in the aerospace environment. This latter approach is potentially one of the most practical isolation techniques for micro-vibration isolation tasks. Some emerging advanced vibration isolation methods that exploit the benefits of nonlinearity have also been reported in the literature. This represents an interesting and highly promising approach for solving some challenging problems in the area. This paper serves as a state-of-the-art review of the vibration isolation theory and/or methods which were developed, mainly over the last decade, specifically for or potentially could be used for, micro-vibration control.

Blind identification of full-field vibration modes of output-only structures from uniformly-sampled, possibly temporally-aliased (sub-Nyquist), video measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yongchao; Dorn, Charles; Mancini, Tyler

Enhancing the spatial and temporal resolution of vibration measurements and modal analysis could significantly benefit dynamic modelling, analysis, and health monitoring of structures. For example, spatially high-density mode shapes are critical for accurate vibration-based damage localization. In experimental or operational modal analysis, higher (frequency) modes, which may be outside the frequency range of the measurement, contain local structural features that can improve damage localization as well as the construction and updating of the modal-based dynamic model of the structure. In general, the resolution of vibration measurements can be increased by enhanced hardware. Traditional vibration measurement sensors such as accelerometers havemore » high-frequency sampling capacity; however, they are discrete point-wise sensors only providing sparse, low spatial sensing resolution measurements, while dense deployment to achieve high spatial resolution is expensive and results in the mass-loading effect and modification of structure's surface. Non-contact measurement methods such as scanning laser vibrometers provide high spatial and temporal resolution sensing capacity; however, they make measurements sequentially that requires considerable acquisition time. As an alternative non-contact method, digital video cameras are relatively low-cost, agile, and provide high spatial resolution, simultaneous, measurements. Combined with vision based algorithms (e.g., image correlation or template matching, optical flow, etc.), video camera based measurements have been successfully used for experimental and operational vibration measurement and subsequent modal analysis. However, the sampling frequency of most affordable digital cameras is limited to 30–60 Hz, while high-speed cameras for higher frequency vibration measurements are extremely costly. This work develops a computational algorithm capable of performing vibration measurement at a uniform sampling frequency lower than what is required by the Shannon-Nyquist sampling theorem for output-only modal analysis. In particular, the spatio-temporal uncoupling property of the modal expansion of structural vibration responses enables a direct modal decoupling of the temporally-aliased vibration measurements by existing output-only modal analysis methods, yielding (full-field) mode shapes estimation directly. Then the signal aliasing properties in modal analysis is exploited to estimate the modal frequencies and damping ratios. Furthermore, the proposed method is validated by laboratory experiments where output-only modal identification is conducted on temporally-aliased acceleration responses and particularly the temporally-aliased video measurements of bench-scale structures, including a three-story building structure and a cantilever beam.« less

Blind identification of full-field vibration modes of output-only structures from uniformly-sampled, possibly temporally-aliased (sub-Nyquist), video measurements

DOE PAGES

Yang, Yongchao; Dorn, Charles; Mancini, Tyler; ...

2016-12-05

Enhancing the spatial and temporal resolution of vibration measurements and modal analysis could significantly benefit dynamic modelling, analysis, and health monitoring of structures. For example, spatially high-density mode shapes are critical for accurate vibration-based damage localization. In experimental or operational modal analysis, higher (frequency) modes, which may be outside the frequency range of the measurement, contain local structural features that can improve damage localization as well as the construction and updating of the modal-based dynamic model of the structure. In general, the resolution of vibration measurements can be increased by enhanced hardware. Traditional vibration measurement sensors such as accelerometers havemore » high-frequency sampling capacity; however, they are discrete point-wise sensors only providing sparse, low spatial sensing resolution measurements, while dense deployment to achieve high spatial resolution is expensive and results in the mass-loading effect and modification of structure's surface. Non-contact measurement methods such as scanning laser vibrometers provide high spatial and temporal resolution sensing capacity; however, they make measurements sequentially that requires considerable acquisition time. As an alternative non-contact method, digital video cameras are relatively low-cost, agile, and provide high spatial resolution, simultaneous, measurements. Combined with vision based algorithms (e.g., image correlation or template matching, optical flow, etc.), video camera based measurements have been successfully used for experimental and operational vibration measurement and subsequent modal analysis. However, the sampling frequency of most affordable digital cameras is limited to 30–60 Hz, while high-speed cameras for higher frequency vibration measurements are extremely costly. This work develops a computational algorithm capable of performing vibration measurement at a uniform sampling frequency lower than what is required by the Shannon-Nyquist sampling theorem for output-only modal analysis. In particular, the spatio-temporal uncoupling property of the modal expansion of structural vibration responses enables a direct modal decoupling of the temporally-aliased vibration measurements by existing output-only modal analysis methods, yielding (full-field) mode shapes estimation directly. Then the signal aliasing properties in modal analysis is exploited to estimate the modal frequencies and damping ratios. Furthermore, the proposed method is validated by laboratory experiments where output-only modal identification is conducted on temporally-aliased acceleration responses and particularly the temporally-aliased video measurements of bench-scale structures, including a three-story building structure and a cantilever beam.« less

Theoretical Study of Infrared and Raman Spectra of Hydrated Magnesium Sulfate Salts

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Huo, Winifred M.; Lee, Timothy J.; Kwak, Dochan (Technical Monitor)

2002-01-01

Harmonic and anharmonic vibrational frequencies, as well as infrared and Raman intensities, are calculated for MgSO4.nH20 (n=1-3). Electronic structure theory at the second order Moller-Plesset perturbation theory (MP2) level with a triple-zeta + polarization (TZP) basis set is used to determine the geometry, properties, and vibrational spectra of pure and hydrated MgSO4 salts. The direct vibrational self-consistent field (VSCF) method and its correlation corrected (CC-VSCF) extension are used to determine anharmonic corrections to vibrational frequencies and intensities for the pure MgSO4 and its complex with one water molecule. Very significant differences are found between vibrational of water molecules in complexes with MgSO4 and pure water. Some of the O-H stretching frequencies are shifted to the red very significantly (by up to 1500-2000/cm) upon complexation with magnesium sulfate. They should be observed between 1700 and 3000/cm in a region very different from the corresponding O-H stretch frequency region of pure water (3700-3800/cm). In addition, the SO2 stretching vibrations are found at lower frequency regions than the water vibrations. They can serve as unique identifiers for the presence of sulfate salts. The predicted infrared and Raman spectra should be of valuable help in the design of future missions and analysis of observed data from the ice surface of Jupiter's moon Europa that possibly contains hydrated MgSO4 salts.

Viscous-pendulum damper suppresses structural vibrations

NASA Technical Reports Server (NTRS)

Reed, W. H., III

1964-01-01

The viscous pendulum damper consists of a cylinder containing round trays on which round lead slugs rest. When assembled, the container is filled with a viscous liquid and attached, with axis vertical, to the structure. The device permits varying the damping of structural vibrations.

Concorde noise-induced building vibrations for Sully Plantation, Chantilly, Virginia

NASA Technical Reports Server (NTRS)

Mayes, W. H.; Scholl, H. F.; Stephens, D. G.; Holliday, B. G.; Deloach, R.; Holmes, H. K.; Lewis, R. B.; Lynch, J. W.

1976-01-01

A study to assess the noise-induced building vibrations associated with Concorde operations is presented. The approach is to record the levels of induced vibrations and associated indoor/outdoor noise levels in selected homes, historic and other buildings near Dulles and Kennedy International Airports. Presented is a small, representative sample of data recorded at Sully Plantation, Chantilly, Virginia during the period of May 20 through May 28, 1976. Recorded data provide relationships between the vibration levels of walls, floors, windows, and the noise associated with Concorde operations (2 landings and 3 takeoffs), other aircraft, nonaircraft sources, and normal household activities. Results suggest that building vibrations resulting from aircraft operations were proportional to the overall sound pressure levels and relatively insensitive to spectral differences associated with the different types of aircraft. Furthermore, the maximum levels of vibratory response resulting from Concorde operations were higher than those associated with conventional aircraft. The vibrations of nonaircraft events were observed in some cases to exceed the levels resulting from aircraft operations. These nonaircraft events are currently being analyzed in greater detail.