Acceleration response spectrum for prediction of structural vibration due to individual bouncing
Chen, Jun; Wang, Lei; Racic, Vitomir; Lou, Jiayue
2016-08-01
This study is designed to develop an acceleration response spectrum that can be used in vibration serviceability assessment of civil engineering structures, such as floors and grandstands those are dynamically excited by individual bouncing. The spectrum is derived from numerical simulations and statistical analysis of acceleration responses of a single degree of freedom system with variable natural frequency and damping under a large number of experimentally measured individual bouncing loads. Its mathematical representation is fit for fast yet reliable application in design practice and is comprised of three equations that describe three distinct frequency regions observed in the actual data: the first resonant plateau (2-3.5 Hz), the second resonant plateau (4-7 Hz) and a descension region (7-15 Hz). Finally, this paper verifies the proposed response spectrum approach to predict structural vibration by direct comparison against numerical simulations and experimental results.
Energy Technology Data Exchange (ETDEWEB)
Babenko, V A; Sychev, Andrei A [P N Lebedev Physical Institute, Russian Academy of Sciences, Moscow (Russian Federation)
2012-09-30
In exciting water possessing an enhanced optical strength by the radiation of a YAG : Nd{sup 3+} laser with 20-ps pulses, nonlinear scattering of light was detected in the frequency range of the optical second harmonic. A relationship was established of the signal of the nonlinear scattering with a stimulated Raman scattering (SRS) of the laser radiation in water. Near the SRS threshold, the structure was observed in the spectrum of nonlinear scattering, which is related to intermolecular libration vibrations of water molecules. (laser applications and other topics in quantum electronics)
Xu, Pei-Cang; Li, Ru-Bi; Shang, Tong-Ming; Zhou, Jian; Sun, Jian-Hua; You, Jing-Lin
2010-05-01
Silicate melts are special fractal dimension system that is metastable state of near-way order and far-way disorder. In this paper, the size of nanometer aggregation structure and the frequences of phonon vibration like mode in the low dimension silicate series (CaO-Al2O3-SiO2 and Na2-Al2O3-SiO2 series) synthesized via high temperature melting and sol gel methods were measured by means of small-angle X-ray scattering (SAXS), low wavenumber Raman spectrum (LWRS) and high temperature Raman spectrum (HTRS in situ measuring). The nanometer self-similarity aggregation structure(it's size is about a few nm to a few tens nm) and phonic phonon vibration like modes of low temperature silicate gel, high temperature silicate melts and it's quenching glasses phases were obtained. So a quantitative method by HTRS for measuring the aggregation size in the high temperature melts was established. The results showed that the aggregation size of the silicate melts is smaller at high temperature than at room temperature and the number of bridge oxygen in one Si-O tetrahedron in network structure units is decreasing at high temperature. This study work provides important theory and information for deliberating geochemistry characteristic, crystallization & evolution of natural magma and enhancing performance of low dimension silicate matelials.
Srivastava, Mayuri; Singh, N. P.; Yadav, R. A.
2014-08-01
Vibrational spectrum of Pantothenic acid has been investigated using experimental IR and Raman spectroscopies and density functional theory methods available with the Gaussian 09 software. Vibrational assignments of the observed IR and Raman bands have been proposed in light of the results obtained from computations. In order to assign the observed IR and Raman frequencies the potential energy distributions (PEDs) have also been computed using GAR2PED software. Optimized geometrical parameters suggest that the overall symmetry of the molecule is C1. The molecule is found to possess eight conformations. Conformational analysis was carried out to obtain the most stable configuration of the molecule. In the present paper the vibrational features of the lowest energy conformer C-I have been studied. The two methyl groups have slightly distorted symmetries from C3V. The acidic Osbnd H bond is found to be the smallest one. To investigate molecular stability and bond strength we have used natural bond orbital analysis (NBO). Charge transfer occurs in the molecule have been shown by the calculated highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energies. The mapping of electron density iso-surface with electrostatic potential (ESP), has been carried out to get the information about the size, shape, charge density distribution and site of chemical reactivity of the molecule.
RESEARCH OF BRIDGE STRUCTURE VIBRATION CHARACTERISTICS
Directory of Open Access Journals (Sweden)
V.P. Babak
2005-02-01
Full Text Available Bridge structure test results with using different types of dynamic force have been considered. It has been shown, that the developed technique of registering and processing vibration signals allows obtaining thin spectrum structure. The analysis of its change that is defined by the type of structure loading applied has been carried out. Key parameters of the vibration signals registered have been defined.
Tau Siesakul, Bamrung; Gkoktsi, Kyriaki; Giaralis, Agathoklis
2015-05-01
Motivated by the need to reduce monetary and energy consumption costs of wireless sensor networks in undertaking output-only/operational modal analysis of engineering structures, this paper considers a multi-coset analog-toinformation converter for structural system identification from acceleration response signals of white noise excited linear damped structures sampled at sub-Nyquist rates. The underlying natural frequencies, peak gains in the frequency domain, and critical damping ratios of the vibrating structures are estimated directly from the sub-Nyquist measurements and, therefore, the computationally demanding signal reconstruction step is by-passed. This is accomplished by first employing a power spectrum blind sampling (PSBS) technique for multi-band wide sense stationary stochastic processes in conjunction with deterministic non-uniform multi-coset sampling patterns derived from solving a weighted least square optimization problem. Next, modal properties are derived by the standard frequency domain peak picking algorithm. Special attention is focused on assessing the potential of the adopted PSBS technique, which poses no sparsity requirements to the sensed signals, to derive accurate estimates of modal structural system properties from noisy sub- Nyquist measurements. To this aim, sub-Nyquist sampled acceleration response signals corrupted by various levels of additive white noise pertaining to a benchmark space truss structure with closely spaced natural frequencies are obtained within an efficient Monte Carlo simulation-based framework. Accurate estimates of natural frequencies and reasonable estimates of local peak spectral ordinates and critical damping ratios are derived from measurements sampled at about 70% below the Nyquist rate and for SNR as low as 0db demonstrating that the adopted approach enjoys noise immunity.
Modeling the vibrational spectrum of 4,4'-diphenylmethane- bis(methyl)carbamate
Shundalau, M. B.; Pitsevich, G. A.; Ksenofontov, M. A.; Umreiko, D. S.
2010-07-01
We present results of ab initio calculations of the structure and vibrational IR spectrum for 4,4'-diphenylmethane-bis(methyl)carbamate (DPMC). Calculations were carried out in the HF/6-311G approximation with subsequent force-field scaling. The calculated characteristics of the vibrational spectrum of DPMC show satisfactory agreement with experimental values, which permits them to be used in spectral and structural analysis
Structural Stability and Vibration
DEFF Research Database (Denmark)
Wiggers, Sine Leergaard; Pedersen, Pauli
This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni......This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....
Vibration Control in Periodic Structures
DEFF Research Database (Denmark)
Høgsberg, Jan Becker
2017-01-01
Within the framework of periodic structures, the calibration of RL shunted piezoelectric inclusions is investigated with respect to maximum damping of a particular wave form. A finite element setting is assumed, with local shunted inclusions inside the unit cell. The effect of the shunts is repre....... The presentation contains dispersion diagrams and vibration amplitude curves for the optimally calibrated RL shunt system in a 1-D periodic structure with local piezoelectric inclusions....
Vertical Footbridge Vibrations: The Response Spectrum Methodology
DEFF Research Database (Denmark)
Georgakis, Christos; Ingólfsson, Einar Thór
2008-01-01
In this paper, a novel, accurate and readily codifiable methodology for the prediction of vertical footbridge response is presented. The methodology is based on the well-established response spectrum approach used in the majority of the world’s current seismic design codes of practice. The concept...... of a universally applicable reference response spectrum is introduced, from which the pedestrian-induced vertical response of any footbridge may be determined, based on a defined “event” and the probability of occurrence of that event. A series of Monte Carlo simulations are undertaken for the development...... of a reference response spectrum. The simulations use known statistical data for pedestrian and population walking characteristics to generate loads for a 50m long simply-supported bridge, with a fixed level of damping and a mean pedestrian flow rate of 1 pedestrian / sec. The response obtained from...
The vibrational spectrum of solid ferrocene by inelastic neutron scattering
Kemner, E.; De Schepper, I.M.; Kearley, G.J.; Jayasooriya, U.A.
2000-01-01
We calculate the spectrum of internal vibrations of a single ferrocene Fe(C5H5)2 molecule using ab initio density functional theory (without free parameters) and compare this with inelastic neutron scattering data on ferrocene in the solid state at 28 K. Due to the good agreement, we can assign each
Vibrational spectrum of CF4 isotopes in an algebraic model
Indian Academy of Sciences (India)
Vibrational spectrum of CF4 isotopes in an algebraic model. JOYDEEP CHOUDHURY1,∗, SRINIVASA RAO KARUMURI2,. NIRMAL KUMAR SARKAR3 and RAMENDU BHATTACHARJEE1. 1Department of Physics, Assam University, Silchar 788 011, India. 2Department of Physics, P.B. Siddhartha College of Arts and ...
Monothiodibenzoylmethane: Structural and vibrational assignments
DEFF Research Database (Denmark)
Hansen, Bjarke Knud Vilster; Gorski, Alexander; Posokhov, Yevgen
2007-01-01
The vibrational structure of the title compound (1,3-diphenyl-3-thioxopropane-1-one, TDBM) was studied by a variety of experimental and theoretical methods. The stable ground state configuration of TDBM was investigated by IR absorption measurements in different media, by LD polarization spectros...... to an “open”, non-chelated enethiol form (t-TCC), thereby supporting the previous conclusions by Posokhov et al. No obvious indications of the contribution of other forms to the observed spectra could be found....
Vibrational Stability of NLC Linac Accelerating Structure
Le Pimpec, F; Bowden, G B; Doyle, E; McKee, B; Seryi, Andrei; Redaelli, S; Adiga, S
2002-01-01
The vibration of components of the NLC linac, such as accelerating structures and girders, is being studied both experimentally and analytically. Various effects are being considered including structural resonances and vibration caused by cooling water in the accelerating structure. This paper reports the status of ongoing work.
Analysis of the Vibration Spectrum Based on the Input Voltage Spectrum
Mathe, Laszlo; Jakobsen, Uffe; Rasmussen, Peter Omand; Pedersen, John Kim
2009-01-01
Pulse width modulation, present in most drives, gives rise to harmonics in the current and this generates radial forces that cause vibrations in the motor shell. This paper derives an analytical expression for the estimation of the spectrum of the radial force in a machine with an air gap, based on the spectrum of the applied voltage. The measurements show that the spectral components are caused mainly by the modulation, which agrees with the results from the analytical solution. A method...
Page 1 THE VIBRATION SPECTRUM OF LITHIUM FLUORIDE AND ...
Indian Academy of Sciences (India)
Proceedings in recent months, the author has described studies on the infra- red behaviour of three crystals of simple structure and composition, viz.,. MgO, NaCl and diamond and shown that the results enable us to determine the characteristic modes and frequencies of free vibration of the atomic nuclei in their structures.
Analysis of the Vibration Spectrum Based on the Input Voltage Spectrum
DEFF Research Database (Denmark)
Mathe, Laszlo; Jakobsen, Uffe; Rasmussen, Peter Omand
2009-01-01
Pulse width modulation, present in most drives, gives rise to harmonics in the current and this generates radial forces that cause vibrations in the motor shell. This paper derives an analytical expression for the estimation of the spectrum of the radial force in a machine with an air gap, based...
The Lowest Vibrational States of Urea from the Rotational Spectrum
Kisiel, Zbigniew; Thomas, Jessica; Medvedev, Ivan
2014-06-01
The urea molecule, (NH_2)_2CO, has a complex potential energy surface resulting from a combination of the NH_2 torsion and NH_2 inversion motions. This leads to a distribution of lowest vibrational states that is expected to be significantly different from the more familiar picture from simple inversion or normal mode models. The broadband 207-500 GHz spectrum of urea recorded in Dayton has signal to noise sufficient for assignment of rotational transitions in excited vibrational states up to at least 500 cm-1. In addition to the previously reported analysis of the ground and the lowest excited state we have been able to assign transitions in at least five other excited vibrational states. Strongly perturbed transitions in a close doublet of such states have been fitted to within experimental accuracy with a coupled fit and a splitting in the region of 1 cm-1. These assignments combined with vibrational energy estimates from relative intensity measurements allow for empirical discrimination between different models for the energy level manifestation of the large amplitude motions in urea.^b P.D.Godfrey, R.D.Brown, A.N.Hunter J. Mol. Struct., 413-414, 405-414 (1997). N.Inostroza, M.L.Senent, Chem. Phys. Lett., 524, 25 (2012).
Hazra, Milan; Bagchi, Biman
2016-01-01
Valuable dynamical and structural information about neat liquid DMSO at ambient conditions can be obtained through study of low frequency vibrations in the far infrared (FIR), that is, terahertz regime. For DMSO, collective excitations as well as single molecule stretches and bends have been measured by different kinds of experiments such as OHD-RIKES and terahertz spectroscopy. In the present work we investigate the intermolecular vibrational spectrum of DMSO through three different computat...
Theory of Arched Structures Strength, Stability, Vibration
Karnovsky, Igor A
2012-01-01
Theory of Arched Structures: Strength, Stability, Vibration presents detailed procedures for analytical analysis of the strength, stability, and vibration of arched structures of different types, using exact analytical methods of classical structural analysis. The material discussed is divided into four parts. Part I covers stress and strain with a particular emphasis on analysis; Part II discusses stability and gives an in-depth analysis of elastic stability of arches and the role that matrix methods play in the stability of the arches; Part III presents a comprehensive tutorial on dynamics and free vibration of arches, and forced vibration of arches; and Part IV offers a section on special topics which contains a unique discussion of plastic analysis of arches and the optimal design of arches.
The Molecular Structure and Vibrational Spectrum of 6-bromo-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene
Directory of Open Access Journals (Sweden)
AydÃ„Â±n Demircan
2007-10-01
Full Text Available Geometric parameters and FT-IR spectrum of 6-bromo-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene were computed by the HF, B3LYP, B3PW91 andmPW1PW91 methods in conjunction with the 6-31G(d,p basis set. The calculated IRspectra are in a good agreement with the observed FT-IR spectrum. A general betterperformance of B3LYP, B3PW91 and mPW1PW91 versus HF was quantitativelycharacterized by using PAVF 1.0 program. Optimal uniform scaling factors calculated forthe title compound are 0.8952, 0.9552, 0.9520 and 0.9456 for HF, B3LYP, B3PW91 andMPW1PW91 methods, respectively.
Free-Vibration Analysis of Structures
Gupta, K. K.
1984-01-01
Unified numerical procedure for free-vibration analysis of structures developed and incorporated into EIGSOL computer program. Dynamic response analysis of primary importance in design of wide range of practical structures such as space-craft, buildings, and rotating machineries. Procedure determines natural frequencies and associated modes in structural design.
Free-Vibration Analysis of Structures
Gupta, K. K.
1985-01-01
Improved numerical procedure more than twice as fast as previous methods. Unified numerical algorithm efficiently solves free-vibration problems of stationary or spinning structures with or without viscous or structural damping. Algorithm used to solve static problems involving multiple loads and to solve quadratic matrix eigenvalue problems associated with finite-dynamic-element structural discretization.
Vibration modes and frequencies of structures
Durling, R. J.; Kvaternik, R. G.
1980-01-01
SUDAN, Substructuring in Direct Analysis, analyzes natural modes and frequencies of vibration of structural systems. Based on direct method of analysis that employs substructures methodology, program is used with structures that may be represented as equivalent system of beam, springs, and rigid bodies.
Structural, intramolecular hydrogen bonding and vibrational studies ...
Indian Academy of Sciences (India)
An extensive theoretical study on the molecular structure and vibrational analysis of 3-amino-4- methoxy benzamide (3A4MBA) was undertaken using density functional theoretical (DFT) method. The possibility of formation of intramolecular hydrogen bonding was identified from structural parameter analysis and confirmed ...
DEFF Research Database (Denmark)
Jalkanen, Karl J.
2003-01-01
Here we present several low energy conformers of Leu-enkephalin (LeuE) calculated with the density functional theory using the Becke 3LYP hybrid functional and the 6-31G* basis set. The structures, conformational energies, vibrational frequencies, vibrational absorption (VA) intensities......, vibrational circular dichroism (VCD) intensities and Raman scattering intensities are reported for the conformers of LeuE which are expected to be populated at room temperature. The species of LeuE-present in non-polar solvents is the neutral non-ionic species with the NH2 and CO2H groups, in contrast...... to the zwitterionic neutral species with the NH3+ and CO2- groups which predominates in aqueous solution and in the crystal. All of our attempts to find the zwitterionic species in the isolated state failed, with the result that a hydrogen atom from the positively charged N-terminus ammonium group transferred either...
Molecular structure, vibrational spectroscopic studies and natural ...
Indian Academy of Sciences (India)
pp. 845–860. Molecular structure, vibrational spectroscopic studies and natural bond orbital analysis of 7-amino-4-trifluoromethyl coumarin ..... [15] A Frisch, A B Nielsen and A J Holder, GAUSSIANVIEW Users Manual, Gaussian. Inc., Pittsburgh, PA (2000). [16] S Selladurai and K Subramanian, Acta Crystallogr. C48, 281 ...
Smart paint sensor for monitoring structural vibrations
Al-Saffar, Y.; Aldraihem, O.; Baz, A.
2012-04-01
A class of smart paint sensors is proposed for monitoring the structural vibration of beams. The sensor is manufactured from an epoxy resin which is mixed with carbon black nano-particles to make it electrically conducting and sensitive to mechanical vibrations. A comprehensive theoretical and experimental investigation is presented to understand the underlying phenomena governing the operation of this class of paint sensors and evaluate its performance characteristics. A theoretical model is presented to model the electromechanical behavior of the sensor system using molecular theory. The model is integrated with an amplifier circuit in order to predict the current and voltage developed by the paint sensor when subjected to loading. Furthermore, the sensor/amplifier circuit models are coupled with a finite element model of a base beam to which the sensor is bonded. The resulting multi-field model is utilized to predict the behavior of both the sensor and the beam when subjected to a wide variety of vibration excitations. The predictions of the multi-field finite element model are validated experimentally and the behavior of the sensor is evaluated both in the time and the frequency domains. The performance of the sensor is compared with the performance of conventional strain gages to emphasize its potential and merits. The presented techniques are currently being extended to sensors that can monitor the vibration and structural power flow of two-dimensional structures.
FAULT DIAGNOSIS IN ROTATING MACHINE USING FULL SPECTRUM OF VIBRATION AND FUZZY LOGIC
Directory of Open Access Journals (Sweden)
ROGER R. DA SILVA
2017-11-01
Full Text Available Industries are always looking for more efficient maintenance systems to minimize machine downtime and productivity liabilities. Among several approaches, artificial intelligence techniques have been increasingly applied to machine diagnosis. Current paper forwards the development of a system for the diagnosis of mechanical faults in the rotating structures of machines, based on fuzzy logic, using rules foregrounded on the full spectrum of the machine´s complex vibration signal. The diagnostic system was developed in Matlab and it was applied to a rotor test rig where different faults were introduced. Results showed that the diagnostic system based on full spectra and fuzzy logic is capable of identifying with precision different types of faults, which have similar half spectrum. The methodology has a great potential to be implemented in predictive maintenance programs in industries and may be expanded to include the identification of other types of faults not covered in the case study under analysis.
Active isolation of vibrations with adaptive structures
Guigou, C.; Fuller, C. R.; Wagstaff, P. R.
1991-01-01
Vibration transmission in structures is controlled by means of a technique which employs distributed arrays of piezoelectric transducers bonded to the supporting structure. Distributed PVDF piezoelectric strips are employed as error sensors, and a two-channel feedforward adaptive LMS algorithm is used for minimizing error signals and thereby controlling the structure. A harmonic force input excites a thick plate, and a receiving plate is configured with three pairs of piezoelectric actuators. Modal analyses are performed to determine the resonant frequencies of the system, and a scanning laser vibrometer is used to study the shape of the response of the receiving plate during excitation with and without the control algorithm. Efficient active isolation of the vibrations is achieved with modal suppression, and good control is noted in the on-resonance cases in which increased numbers of PVDF sensors and piezoelectric actuators are employed.
Acoustically Driven Vibrations in Cylindrical Structures
Energy Technology Data Exchange (ETDEWEB)
Chambers, David H. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2013-10-11
The purpose of this investigation is to explore the interaction of acoustics and vibration in fluid-filled cylindrical structures. Our emphasis is on describing longitudinal (axial) propagation within the structure for acoustic signals that enter externally. This paper reviews the historical and theoretical treatments of the relevant phenomenon important to the propagation of these signals along pipe structures. Our specific contribution is a detailed analysis of how external acoustic signals are coupled to a free standing pipe. There have been numerous phenomena for which these analyses are applicable. They have ranged from physical property measurements, to indoor environmental noise abatement, and onto quite significant explorations of active and passive submerged structures.
Hazra, Milan
2016-01-01
Valuable dynamical and structural information about neat liquid DMSO at ambient conditions can be obtained through study of low frequency vibrations in the far infrared (FIR), that is, terahertz regime. For DMSO, collective excitations as well as single molecule stretches and bends have been measured by different kinds of experiments such as OHD-RIKES and terahertz spectroscopy. In the present work we investigate the intermolecular vibrational spectrum of DMSO through three different computational techniques namely (i) the far-infra red spectrum obtained through Fourier transform of total dipole moment auto time correlation function, (ii) from Fourier transform of the translational and angular velocity time autocorrelation functions and a (iii) quenched normal mode analysis of the parent liquid at 300K. The three spectrum, although exhibit differences among each other, reveal similar features which are in good, semi-quantitative, agreement with experimental results. Study of participation ratio of the density...
Active vibration control of civil structures
Energy Technology Data Exchange (ETDEWEB)
Farrar, C.; Baker, W.; Fales, J.; Shevitz, D.
1996-11-01
This is a final report of a one year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Active vibration control (AVC) of structural and mechanical systems is one of the rapidly advancing areas of engineering research. The multifaceted nature of AVC covers many disciplines, such as sensors and instrumentation, numerical modeling, experimental mechanics, and advanced power systems. This work encompassed a review of the literature on active control of structures focusing both on active control hardware and on control algorithms, a design of an isolation systems using magneto-rheological fluid-filled (MRF) dampers and numerical simulations to study the enhanced vibration mitigation effects of this technology.
Structural Vibration Monitoring Using Cumulative Spectral Analysis
Directory of Open Access Journals (Sweden)
Satoru Goto
2013-01-01
Full Text Available This paper describes a resonance decay estimation for structural health monitoring in the presence of nonstationary vibrations. In structural health monitoring, the structure's frequency response and resonant decay characteristics are very important for understanding how the structure changes. Cumulative spectral analysis (CSA estimates the frequency decay by using the impulse response. However, measuring the impulse response of buildings is impractical due to the need to shake the building itself. In a previous study, we reported on system damping monitoring using cumulative harmonic analysis (CHA, which is based on CSA. The current study describes scale model experiments on estimating the hidden resonance decay under non-stationary noise conditions by using CSA for structural condition monitoring.
Occupant traffic estimation through structural vibration sensing
Pan, Shijia; Mirshekari, Mostafa; Zhang, Pei; Noh, Hae Young
2016-04-01
The number of people passing through different indoor areas is useful in various smart structure applications, including occupancy-based building energy/space management, marketing research, security, etc. Existing approaches to estimate occupant traffic include vision-, sound-, and radio-based (mobile) sensing methods, which have placement limitations (e.g., requirement of line-of-sight, quiet environment, carrying a device all the time). Such limitations make these direct sensing approaches difficult to deploy and maintain. An indirect approach using geophones to measure floor vibration induced by footsteps can be utilized. However, the main challenge lies in distinguishing multiple simultaneous walkers by developing features that can effectively represent the number of mixed signals and characterize the selected features under different traffic conditions. This paper presents a method to monitor multiple persons. Once the vibration signals are obtained, features are extracted to describe the overlapping vibration signals induced by multiple footsteps, which are used for occupancy traffic estimation. In particular, we focus on analysis of the efficiency and limitations of the four selected key features when used for estimating various traffic conditions. We characterize these features with signals collected from controlled impulse load tests as well as from multiple people walking through a real-world sensing area. In our experiments, the system achieves the mean estimation error of +/-0.2 people for different occupant traffic conditions (from one to four) using k-nearest neighbor classifier.
Nonlinear frequency response analysis of structural vibrations
Weeger, Oliver; Wever, Utz; Simeon, Bernd
2014-12-01
In this paper we present a method for nonlinear frequency response analysis of mechanical vibrations of 3-dimensional solid structures. For computing nonlinear frequency response to periodic excitations, we employ the well-established harmonic balance method. A fundamental aspect for allowing a large-scale application of the method is model order reduction of the discretized equation of motion. Therefore we propose the utilization of a modal projection method enhanced with modal derivatives, providing second-order information. For an efficient spatial discretization of continuum mechanics nonlinear partial differential equations, including large deformations and hyperelastic material laws, we employ the concept of isogeometric analysis. Isogeometric finite element methods have already been shown to possess advantages over classical finite element discretizations in terms of higher accuracy of numerical approximations in the fields of linear vibration and static large deformation analysis. With several computational examples, we demonstrate the applicability and accuracy of the modal derivative reduction method for nonlinear static computations and vibration analysis. Thus, the presented method opens a promising perspective on application of nonlinear frequency analysis to large-scale industrial problems.
Vibrational Based Inspection of Civil Engineering Structures
DEFF Research Database (Denmark)
Rytter, Anders
and Structural Engineering at the University of Aalborg since the beginning of 1992. Both projects have been supported by the Danish Technical Research Council. Further, the first mentioned project was supported by the Danish Energy Agency. Their financial support is gratefully acknowledged.......The thesis has been written in relation to two different research projects. Firstly, an offshore test programme, Integrated Experimental/Numerical Analysis of the Dynamic behavior of offshore structures, which was performed at the department of Building Technology and Structural Engineering...... at the University of Aalborg from 1988 to 1991. Secondly, a research project, In-Field Vibration Based Inspection of Civil Engineering Structures, which has been performed as a pilot project by the Consulting Engineers Rambøll, Hannemann and Højlund in cooperation with the department of Building Technology...
Vibration health monitoring for tensegrity structures
Ashwear, Nasseradeen; Eriksson, Anders
2017-02-01
Tensegrities are assembly structures, getting their equilibrium from the interaction between tension in cables and compression in bars. During their service life, slacking in their cables and nearness to buckling in their bars need to be monitored to avoid a sudden collapse. This paper discusses how to design the tensegrities to make them feasible for vibrational health monitoring methods. Four topics are discussed; suitable finite elements formulation, pre-measurements analysis to find the locations of excitation and sensors for the interesting modes, the effects from some environmental conditions, and the pre-understanding of the effects from different slacking scenarios.
Stanke, Monika; Adamowicz, Ludwik
2014-10-01
We report very accurate calculations of the complete pure vibrational spectrum of the T2 molecule with an approach where the Born-Oppenheimer (BO) approximation is not assumed. As the considered states correspond to the zero total angular momentum, their non-BO wave functions are spherically symmetric and are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even nonnegative powers of the internuclear distance. The nonrelativistic energies of the states obtained in the non-BO calculations are corrected for the relativistic effects of the order of α2 (where α is the fine structure constant) calculated as expectation values of the operators representing these effects.
Stanke, Monika; Adamowicz, Ludwik
2014-10-21
We report very accurate calculations of the complete pure vibrational spectrum of the T2 molecule with an approach where the Born-Oppenheimer (BO) approximation is not assumed. As the considered states correspond to the zero total angular momentum, their non-BO wave functions are spherically symmetric and are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even nonnegative powers of the internuclear distance. The nonrelativistic energies of the states obtained in the non-BO calculations are corrected for the relativistic effects of the order of α(2) (where α is the fine structure constant) calculated as expectation values of the operators representing these effects.
Yang, Yang; Pan, Yayue; Guo, Ping
2017-04-01
Creating orderly periodic micro/nano-structures on metallic surfaces, or structural coloration, for control of surface apparent color and optical reflectivity has been an exciting research topic over the years. The direct applications of structural coloration include color marking, display devices, and invisibility cloak. This paper presents an efficient method to colorize metallic surfaces with periodic micro/nano-gratings using elliptical vibration texturing. When the tool vibration is coupled with a constant cutting velocity, controlled periodic ripples can be generated due to the overlapping tool trajectory. These periodic ripples with a wavelength near visible spectrum can act as micro-gratings to introduce iridescent colors. The proposed technique also provides a flexible method for color marking of metallic surfaces with arbitrary patterns and images by precise control of the spacing distance and orientation of induced micro/nano-ripples. Theoretical analysis and experimental results are given to demonstrate structural coloration of metals by a direct mechanical machining technique.
Vibrational spectrum of CF4 isotopes in an algebraic model
Indian Academy of Sciences (India)
n this paper the stretching vibrational modes of CF4 isotopes are calculated up to first overtone using the one-dimensional vibron model for the first time. The model Hamiltonian so constructed seems to describe the C–F stretching modes accurately using a relatively small set of well-defined parameters.
Ramos, Joanna Maria; Versiane, Otavio; Felcman, Judith; Téllez Soto, Claudio A
2007-12-31
The trans-bis(glycine)nickel(II) complex was synthesized, and the Fourier transform infrared spectra in the regions 4000-370 cm(-1) and 700-30 cm(-1) were measured. Band deconvolution analysis and the second derivative of the infrared spectrum were also performed. The determination of the geometrical structure in the trans position of the glycine ligands around Ni(II) for the trans-bis(glycine)nickel(II) complex as well as the vibrational assignment were assisted by RHF/6-311G and by Density Functional Theory calculations, DFT:B3LYP/6-31G and 6-311G basis sets. A full discussion of the framework vibrational modes was done using as criteria the geometry study of distorted structures generated for the vibrational modes. Incidentally, Normal Coordinate Analysis was carried out for the Ni(N)(2)(O)(2) structural fragment. The calculated DFT spectra in the high- and low-energy regions agree with the observed ones.
Takács, Gergely
2012-01-01
Real-time model predictive controller (MPC) implementation in active vibration control (AVC) is often rendered difficult by fast sampling speeds and extensive actuator-deformation asymmetry. If the control of lightly damped mechanical structures is assumed, the region of attraction containing the set of allowable initial conditions requires a large prediction horizon, making the already computationally demanding on-line process even more complex. Model Predictive Vibration Control provides insight into the predictive control of lightly damped vibrating structures by exploring computationally efficient algorithms which are capable of low frequency vibration control with guaranteed stability and constraint feasibility. In addition to a theoretical primer on active vibration damping and model predictive control, Model Predictive Vibration Control provides a guide through the necessary steps in understanding the founding ideas of predictive control applied in AVC such as: · the implementation of ...
Vibrational overtone spectrum of matrix isolated cis, cis-HOONO
Zhang, Xu; Nimlos, Mark R.; Ellison, G. Barney; Varner, Mychel E.; Stanton, John F.
2007-05-01
Cis, cis-peroxynitrous acid is known to be an intermediate in atmospheric reactions between OH and NO2 as well as HOO and NO. The infrared absorption spectra of matrix-isolated cc-HOONO and cc-DOONO in argon have been observed in the range of 500-8000cm-1. Besides the seven fundamental vibrational modes that have been assigned earlier for this molecule [Zhang et al., J. Chem. Phys. 124, 084305 (2006)], more than 50 of the overtone and combination bands have been observed for cc-HOONO and cc-DOONO. Ab initio CCSD(T)/atomic natural orbital anharmonic force field calculations were used to help guide the assignments. Based on this study of the vibrational overtone transitions of cis, cis-HOONO that go as high as 8000cm-1 and the earlier paper on the vibrational fundamentals, we conclude that the CCSD(T)/ANO anharmonic frequencies seem to correct to ±35cm-1. The success of the theoretically predicted anharmonic frequencies {υ } in assigning overtone spectra of HOONO up to 8000cm-1 suggests that the CCSD(T)/ANO method is producing a reliable potential energy surface for this reactive molecule.
Study on Structure Property of Cantilever Piezoelectric Vibration Generator
National Research Council Canada - National Science Library
Yan Zhen; He Qing; Liu Junfeng
2014-01-01
For increasing generating capacity of cantilever piezoelectric vibration generator with limited volume, influence rule of structure parameter to generating capacity of unimorph, bimorph in series...
High-accuracy calculations of the rotation-vibration spectrum of {{\\rm{H}}}_{3}^{+}
Tennyson, Jonathan; Polyansky, Oleg L.; Zobov, Nikolai F.; Alijah, Alexander; Császár, Attila G.
2017-12-01
Calculation of the rotation-vibration spectrum of {{{H}}}3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theoretical models, methods, and codes. The present paper reviews the state-of-the-art in these fields. Computation of rovibrational states on a given potential energy surface (PES) has now become standard for triatomic molecules, at least up to intermediate energies, due to developments achieved by the present authors and others. However, highly accurate Born–Oppenheimer energies leading to highly accurate PESs are not accessible even for this two-electron system using conventional electronic structure procedures (e.g. configuration-interaction or coupled-cluster techniques with extrapolation to the complete (atom-centered Gaussian) basis set limit). For this purpose, highly specialized techniques must be used, e.g. those employing explicitly correlated Gaussians and nonlinear parameter optimizations. It has also become evident that a very dense grid of ab initio points is required to obtain reliable representations of the computed points extending from the minimum to the asymptotic limits. Furthermore, adiabatic, relativistic, and quantum electrodynamic correction terms need to be considered to achieve near-spectroscopic accuracy during calculation of the rotation-vibration spectrum of {{{H}}}3+. The remaining and most intractable problem is then the treatment of the effects of non-adiabatic coupling on the rovibrational energies, which, in the worst cases, may lead to corrections on the order of several cm‑1. A promising way of handling this difficulty is the further development of effective, motion- or even coordinate-dependent, masses and mass surfaces. Finally, the unresolved challenge of how to describe and elucidate the experimental pre-dissociation spectra of {{{H}}}3+ and its isotopologues is discussed.
MECHANISM OF ORIGIN OF STRUCTURAL VIBRATIONS IN CONICAL ROLLER BEARINGS
Directory of Open Access Journals (Sweden)
V.І. Marchuk
2014-09-01
Full Text Available This paper investigates the mechanism of origin of structural, structural and technological defects of rollers. The technique for integrated indicator of vibration working surfaces of the rings to determine the level of life of the finished part to the operation as part of the bearing and predict the vibroacoustic characteristics of rolling bearings. It was established that technological defects cause low-frequency and high-frequency vibrations. The question about the extent to which it is necessary to strengthen the tolerances on the parameters of bearings on which vibration level is determined not errors bearing parts and their structural properties. Calculated values of the amplitudes vibroacceleration due to the rigidity of the bearing vibrations are so small that in some cases adopted precision calculations turned enough to detect such vibrations. Thus, when tested on the vibro-acoustic installations structural vibration does not play an important role.
Magnetic sensor for building structural vibrations.
García, Alfonso; Morón, Carlos; Tremps, Enrique
2014-02-05
This paper shows a new displacement-to-frequency transducer based on the variation of a coil inductance when a magnetic core is partially or completely inserted inside. This transducer is based on a Colpitts oscillator due its low manufacturing price, behavior and immunity to noise. A tank circuit with a configuration in parallel was used because it can be employed at lower frequencies and it enables it to make a direct analysis. The sensor has a dynamic range equal to the length of the coil. The cores can exchange sensors (coils with its ferromagnetic core) using the same electronic measuring system. In this way, with only an electronic circuit, the core sensor determines the measurement range. The obtained resolution is higher than 1/100,000, and the sensor also allows the measurement and knowing in real time the effect of vibration, thermal expansion, referred overload movements, etc.., that can occur in the structural elements of a building.
Vibrational analysis of Fourier transform spectrum of the B u )–X g ...
Indian Academy of Sciences (India)
591–601. Vibrational analysis of Fourier transform spectrum of the B. 3 − u (0. + u )–X. 3 − g (0. + g ) transition of 80Se2 molecule. PAVITRA TANDON1, K SUNANDA2, M N DEO3, M D SAKSENA4 and. K N UTTAM1,∗. 1Saha's Spectroscopy Laboratory, Physics Department, Allahabad University,. Allahabad 211 002, India.
Review of vibration effect during piling installation to adjacent structure
Rahman, Nurul Aishah Abd; Musir, Adhilla Ainun; Dahalan, Nurol Huda; Ghani, Abdul Naser Abdul; Khalil, Muhamad Kasimi Abd
2017-12-01
Basically, many major structures across the world such as towers, high rise building, houses and bridges utilize pile as a support material. The use of pile is important to strengthen the structures. However, this has led to another problem to the nearest surrounding structures resulted from pile driving. As part of a construction work, unavoidable pile driving activity generates a vibration towards the surrounding structures if uncontrolled may cause damage to the adjacent structure. As the current construction works are frequently located in urban areas where the distance between the nearest building structures is not far, vibration may cause damage to nearby structures. Knowing which part of the building that is mostly affected by various vibration patterns from the impact of pile driving is crucial. Thus, it is very important to predict the impact of vibration during piling installation work. This paper reviews the vibrations generated by piling activity toward surrounding structures in terms sources of vibration, impact of piling installation, pile-soil interaction, and factors affecting the vibration impact of building as well as to study the parameters involved in vibration generation during piling works.
Nonlinear vibration with control for flexible and adaptive structures
Wagg, David
2015-01-01
This book provides a comprehensive discussion of nonlinear multi-modal structural vibration problems, and shows how vibration suppression can be applied to such systems by considering a sample set of relevant control techniques. It covers the basic principles of nonlinear vibrations that occur in flexible and/or adaptive structures, with an emphasis on engineering analysis and relevant control techniques. Understanding nonlinear vibrations is becoming increasingly important in a range of engineering applications, particularly in the design of flexible structures such as aircraft, satellites, bridges, and sports stadia. There is an increasing trend towards lighter structures, with increased slenderness, often made of new composite materials and requiring some form of deployment and/or active vibration control. There are also applications in the areas of robotics, mechatronics, micro electrical mechanical systems, non-destructive testing and related disciplines such as structural health monitoring. Two broader ...
Hazra, Milan K.; Bagchi, Biman
2017-01-01
Valuable dynamical and structural information about neat liquid DMSO at ambient conditions can be obtained through a study of low frequency vibrations in the far infrared (FIR), that is, terahertz regime. For DMSO, collective excitations as well as single molecule stretches and bends have been measured by different kinds of experiments such as OHD-RIKES and terahertz spectroscopy. In the present work, we investigate the intermolecular vibrational spectrum of DMSO through three different computational techniques namely (i) the far-infrared spectrum obtained through the Fourier transform of total dipole moment auto-time correlation function, (ii) from the Fourier transform of the translational and angular velocity time autocorrelation functions, and (iii) a quenched normal mode analysis of the parent liquid at 300 K. The three spectra, although exhibit differences among each other, reveal similar features which are in good, semi-quantitative, agreement with experimental results. The study of participation ratio of the density of states obtained from the normal mode analysis shows that the broad spectrum around 100 cm-1 involves collective oscillations of 300-400 molecules. Dipolar solvation dynamics exhibit ultrafast energy relaxation with an initial time constant around 157 fs which can be attributed to the coupling to the collective excitations. We compare the properties of DMSO with those of water vis-a-vis the existence of the low frequency collective modes. Last, we find that the collective excitation spectrum exhibits strong temperature dependence.
Hazra, Milan K; Bagchi, Biman
2017-01-14
Valuable dynamical and structural information about neat liquid DMSO at ambient conditions can be obtained through a study of low frequency vibrations in the far infrared (FIR), that is, terahertz regime. For DMSO, collective excitations as well as single molecule stretches and bends have been measured by different kinds of experiments such as OHD-RIKES and terahertz spectroscopy. In the present work, we investigate the intermolecular vibrational spectrum of DMSO through three different computational techniques namely (i) the far-infrared spectrum obtained through the Fourier transform of total dipole moment auto-time correlation function, (ii) from the Fourier transform of the translational and angular velocity time autocorrelation functions, and (iii) a quenched normal mode analysis of the parent liquid at 300 K. The three spectra, although exhibit differences among each other, reveal similar features which are in good, semi-quantitative, agreement with experimental results. The study of participation ratio of the density of states obtained from the normal mode analysis shows that the broad spectrum around 100 cm -1 involves collective oscillations of 300-400 molecules. Dipolar solvation dynamics exhibit ultrafast energy relaxation with an initial time constant around 157 fs which can be attributed to the coupling to the collective excitations. We compare the properties of DMSO with those of water vis-a-vis the existence of the low frequency collective modes. Last, we find that the collective excitation spectrum exhibits strong temperature dependence.
Finite Element Vibration and Dynamic Response Analysis of Engineering Structures
Directory of Open Access Journals (Sweden)
Jaroslav Mackerle
2000-01-01
Full Text Available This bibliography lists references to papers, conference proceedings, and theses/dissertations dealing with finite element vibration and dynamic response analysis of engineering structures that were published from 1994 to 1998. It contains 539 citations. The following types of structures are included: basic structural systems; ground structures; ocean and coastal structures; mobile structures; and containment structures.
Innovation in Active Vibration Control Strategy of Intelligent Structures
Directory of Open Access Journals (Sweden)
A. Moutsopoulou
2014-01-01
Full Text Available Large amplitudes and attenuating vibration periods result in fatigue, instability, and poor structural performance. In light of past approaches in this field, this paper intends to discuss some innovative approaches in vibration control of intelligent structures, particularly in the case of structures with embedded piezoelectric materials. Control strategies are presented, such as the linear quadratic control theory, as well as more advanced theories, such as robust control theory. The paper presents sufficiently a recognizable advance in knowledge of active vibration control in intelligent structures.
Flow-Induced Vibration of Circular Cylindrical Structures
Energy Technology Data Exchange (ETDEWEB)
Chen, Shoei-Sheng [Argonne National Lab. (ANL), Argonne, IL (United States). Components Technology Division
1985-06-01
Flow-induced vibration is a term to denote those phenomena associated with the response of structures placed in or conveying fluid flow. More specifically, the terra covers those cases in which an interaction develops between fluid-dynamic forces and the inertia, damping or elastic forces in the structures. The study of these phenomena draws on three disciplines: (1) structural mechanics, (2) mechanical vibration, and (3) fluid dynamics. The vibration of circular cylinders subject to flow has been known to man since ancient times; the vibration of a wire at its natural frequency in response to vortex shedding was known in ancient Greece as aeolian tones. But systematic studies of the problem were not made until a century ago when Strouhal established the relationship between vortex shedding frequency and flow velocity for a given cylinder diameter. The early research in this area has beer summarized by Zdravkovich (1985) and Goldstein (1965). Flow-induced structural vibration has been experienced in numerous fields, including the aerospace industry, power generation/transmission (turbine blades, heat exchanger tubes, nuclear reactor components), civil engineering (bridges, building, smoke stacks), and undersea technology. The problems have usually been encountered or created accidentally through improper design. In most cases, a structural or mechanical component, designed to meet specific objectives, develops problems when the undesired effects of flow field have not been accounted for in the design. When a flow-induced vibration problem is noted in the design stage, the engineer has different options to eliminate the detrimental vibration. Unfortunately, in many situations, the problems occur after the components are already in operation; the "fix" usually is very costly. Flow-induced vibration comprises complex and diverse phenomena; subcritical vibration of nuclear fuel assemblies, galloping of transmission lines, flutter of pipes conveying fluid, and whirling
Vibrations in lightweight structures - Efficiency and reduction of numerical models
Flodén, Ola
2014-01-01
Multi-storey wood buildings have been increasing in popularity since a century-old ban on the construction of such buildings was lifted in 1994. Compared to conventional concrete structures, it is more difficult to build lightweight structures in such a way that noise and disturbing vibrations is avoided. To design buildings of high performance regarding sound and vibrations, it is desirable to have tools for predicting the effects of structural modifications prior to construction. The long-t...
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.
Directory of Open Access Journals (Sweden)
Liang Yonggang
2013-01-01
Full Text Available Classical Amplitude Spectrum analysis and Full Amplitude Spectrum analysis exhibit deficiencies in analyzing the two perpendicular directional vibration displacement signals of a rotating rotor. The shape of Classical Amplitude Spectrum is influenced by the installing position of its sensor. Neither Classical Amplitude Spectrum nor Full Amplitude Spectrum can indicate the actual radial rotor vibration amplitude on every frequency. Therefore, the previous two methods are not convenient to be used in rotating machine diagnoses. To solve these problems, this paper proposes a new rotor vibration analyzing tool here called Synthetic Amplitude Spectrum (SAS. The paper discusses the principle of SAS analysis, provides the specific making process of SAS, and applies it to two other current important analyzing methods in rotating machine diagnoses, resulting in two SAS extensions. The two extensions include a short-time SAS array tool for rotor vibration time-frequency analysis and a SAS waterfall plot tool for analyzing rotor vibration during machine startup or shutdown. The experiments and theoretical analysis showed that SAS and its two extension methods are not influenced by the installation position of the two sensors, and each amplitude of the spectrums can represent the actual radial rotor vibration amplitude on the frequency.
Modeling of HeN+ clusters. II. Calculation of He3+ vibrational spectrum
Karlický, František; Lepetit, Bruno; Kalus, René; Paidarová, Ivana; Gadéa, Florent Xavier
2008-03-01
We have computed the vibrational spectrum of the helium ionized trimer He3+ using three different potential energy surfaces [D. T. Chang and G. L. Gellene, J. Chem. Phys. 119, 4694 (2003); E. Scifoni et al., ibid. 125, 164304 (2006); I. Paidarová et al., Chem. Phys. 342, 64 (2007)]. Differences in the details of these potential energy surfaces induce discrepancies between bound state energies of the order of 0.01eV. The effects of the geometric phase induced by the conical intersection between the ground electronic potential energy surface and the first excited one are studied by computing vibrational spectra with and without this phase. The six lowest vibrational bound states are negligibly affected by the geometric phase. Indeed, they correspond to wavefunctions localized in the vicinity of the linear symmetric configurations and can be assigned well defined vibrational quantum numbers. On the other hand, higher excited states are delocalized, cannot be assigned definite vibrational quantum numbers, and the geometric phase shifts their energies by approximately 0.005eV.
Vibration Antiresonance Design for a Spacecraft Multifunctional Structure
Directory of Open Access Journals (Sweden)
Dong-Xu Li
2017-01-01
Full Text Available Spacecraft must withstand rigorous mechanical environment experiences such as acceleration, noise, vibration, and shock during the process of launching, satellite-vehicle separation, and so on. In this paper, a new spacecraft multifunctional structure concept designed by us is introduced. The multifunctional structure has the functions of not only load bearing, but also vibration reduction, energy source, thermal control, and so on, and we adopt a series of viscoelastic parts as connections between substructures. Especially in this paper, a vibration antiresonance design method is proposed to realize the vibration reduction. The complex zero-point equations of the vibration system are firstly established, and then the vibration antiresonance design for the system is achieved. For solving the difficulties due to viscoelastic characteristics of the connecting parts, we present the determining formulas to obtain the structural parameters, so that the complex zero-point equations can be satisfied. Numerical simulation and ground experiment demonstrate the correctness and effectiveness of the proposed method. This method can solve the structural vibration control problem under the function constraints of load bearing and energy supplying and will expand the performance of spacecraft functional modules.
Vibration Response Characteristics of the Cross Tunnel Structure
Directory of Open Access Journals (Sweden)
Jinxing Lai
2016-01-01
Full Text Available It is well known that the tunnel structure will lose its function under the long-term repeated function of the vibration effect. A prime example is the Xi’an cross tunnel structure (CTS of Metro Line 2 and the Yongningmen tunnel, where the vibration response of the tunnel vehicle load and metro train load to the structure of shield tunnel was analyzed by applying the three-dimensional (3D dynamic finite element model. The effect of the train running was simulated by applying the time-history curves of vibration force of the track induced by wheel axles, using the fitted formulas for vehicle and train vibration load. The characteristics and the spreading rules of vibration response of metro tunnel structure were researched from the perspectives of acceleration, velocity, displacement, and stress. It was found that vehicle load only affects the metro tunnel within 14 m from the centre, and the influence decreases gradually from vault to spandrel, haunch, and springing. The high-speed driving effect of the train can be divided into the close period, the rising period, the stable period, the declining period, and the leaving period. The stress at haunch should be carefully considered. The research results presented for this case study provide theoretical support for the safety of vibration response of Metro Line 2 structure.
H/sub 3/ /sup +/: Ab initio calculation of the vibration spectrum
Energy Technology Data Exchange (ETDEWEB)
Carney, G.D.; Porter, R.N.
1976-11-01
The vibration spectrum of H/sub 3/ /sup +/ is calculated from the representation of a previously reported (J. Chem Phys. 60, 4251 (1974)) ab initio potential-energy surface in a fifth degree Simons--Parr--Finlan (SPF) expansion. Morse- and harmonic-oscillator basis functions are used to describe the motions of the three oscillators and the Harris--Engerholm--Gwinn quadrature technique is used to obtain matrix elements of the Hamiltonian in the basis of vibrational configurations. Our variational method is thus analogous to configuration--interaction calculations for electronic states. The ground state is found to have a zero-point energy of 4345 cm/sup -1/ and a vibrationally averaged geometry of R/sub 1/=R/sub 2/=0.91396 A, theta=60.0012degree, where theta is the angle between the two equivalent bonds. The transition frequencies for the E and A/sub 1/ fundamentals are nu-bar/sub E/=2516 cm/sup -1/ and nu-bar/sub A/=3185 cm/sup -1/ and those for the corresponding first overtones of the bending mode are 2nu-bar/sub E/=5004 +- 4 cm/sup -1/ and 2nu-bar/sub A/=4799 cm/sup -1/. The first overtone of the breathing mode is 6264 cm/sup -1/. The first-excited A/sub 1/ vibration state is metastable with a dipole--radiation lifetime of 3 sec. Transition frequencies, Einstein coefficients, and lifetimes are reported for a total of 21 transitions. Analysis of results for Dunham number and normal-coordinate expansions in comparison with those for SPF expansion show the latter to be superior for ab initio vibrational calculations. A scheme for possible direct measurement of the fundamental A/sub 1/ and E vibrational bands is suggested. (AIP)
Equilibrium structure and atomic vibrations of Nin clusters
Borisova, Svetlana D.; Rusina, Galina G.
2017-12-01
The equilibrium bond lengths and binding energy, second differences in energy and vibrational frequencies of free clusters Nin (2 ≤ n ≤ 20) were calculated with the use of the interaction potential obtained in the tight-binding approximation (TBA). The results show that the minimum vibration frequency plays a significant role in the evaluation of the dynamic stability of the clusters. A nonmonotonic dependence of the minimum vibration frequency of clusters on their size and the extreme values for the number of atoms in a cluster n = 4, 6, 13, and 19 are demonstrated. This result agrees with the theoretical and experimental data on stable structures of small metallic clusters.
Shepherd, Micah R; Hambric, Stephen A
2012-10-01
The wavenumber transform for rectangular, simply supported, isotropic thin plates has been rederived to correct a technical error found in the text Sound and Structural Vibration (Academic Press, 1985/2007) by Fahy/Fahy and Gardonio. The text states that the modal wavenumber corresponds to the peak of the wavenumber spectrum. While this is approximately true for higher-order modes, it does not hold for lower-order modes due to coupling between positive and negative wavenumber energy. The modal wavenumber is shown to be related to the zeros in the wavenumber spectrum by an integer multiple of 2π normalized by the plate length.
Vibration analysis of hydropower house based on fluid-structure coupling numerical method
Directory of Open Access Journals (Sweden)
Shu-he Wei
2010-03-01
Full Text Available By using the shear stress transport (SST model to predict the effect of random flow motion in a fluid zone, and using the Newmark method to solve the oscillation equations in a solid zone, a coupling model of the powerhouse and its tube water was developed. The effects of fluid-structure interaction are considered through the kinematic and dynamic conditions applied to the fluid-structure interfaces (FSI. Numerical simulation of turbulent flow through the whole flow passage of the powerhouse and concrete structure vibration analysis in the time domain were carried out with the model. Considering the effect of coupling the turbulence and the powerhouse structure, the time history response of both turbulent flows through the whole flow passage and powerhouse structure vibration were generated. Concrete structure vibration analysis shows that the displacement, velocity, and acceleration of the dynamo floor respond dramatically to pressure fluctuations in the flow passage. Furthermore, the spectrum analysis suggests that pressure fluctuation originating from the static and dynamic disturbances of hydraulic turbine blades in the flow passage is one of the most important vibration sources.
Vibration Analysis of Structures with Rotation and Reflection Symmetry
Directory of Open Access Journals (Sweden)
Baojian Li
1996-01-01
Full Text Available The article applies group representation theory to the vibration analysis of structures with Cnv symmetry, and presents a new structural vibration analysis method. The eigenvalue problem of the whole structure is divided into much smaller subproblems by forming the mass and stiffness matrices of one substructure and than modifying them to form mass and stiffness matrices in each irreducible subspace, resulting in the saving of computer time and memory. The modal characteristics of structures with Cnv symmetry are derived from theoretical analysis. Computation and modal testing are used to verify the validity of the theoretical deductions.
Structure-borne sound structural vibrations and sound radiation at audio frequencies
Cremer, L; Petersson, Björn AT
2005-01-01
Structure-Borne Sound"" is a thorough introduction to structural vibrations with emphasis on audio frequencies and the associated radiation of sound. The book presents in-depth discussions of fundamental principles and basic problems, in order to enable the reader to understand and solve his own problems. It includes chapters dealing with measurement and generation of vibrations and sound, various types of structural wave motion, structural damping and its effects, impedances and vibration responses of the important types of structures, as well as with attenuation of vibrations, and sound radi
Active control of noise radiation from vibrating structures
DEFF Research Database (Denmark)
Mørkholt, Jakob
The thesis is concerned with the active control of randomly vibrating structures by means of feedback control, with particular emphasis on reducing the sound radiation from such structures. A time domain model of the structural and radiation dynamics of an actively controlled plate has been...... optimal and robust discrete-time feedback controllers for active vibration control of multimodal structures have been compared. They have been showed to yield controllers with identical frequency response characteristics, even though they employ completely different methods of numerical solutions...... developed, based on the theory of radiation filters for estimating the sound radiation from multimodal vibrations. This model has then been used in simulations of optimal feedback control, with special emphasis of the stability margins of the optimal control scheme. Two different methods of designing...
Effect of structural design on traffic-induced building vibrations
DEFF Research Database (Denmark)
Persson, Peter; Andersen, Lars Vabbersgaard; Persson, Kent
2017-01-01
are related to the type of construction material (if it would be a light or heavy structure), and to the slab thickness. The finite element method is employed for discretizing the building structure that is coupled to a semi-analytical model considering a layered ground. © 2017 The Authors. Published......Population growth and urbanization results in densified cities, where new buildings are being built closer to existing vibration sources such as road-, tram- and rail traffic. In addition, new transportation systems are constructed closer to existing buildings. Potential disturbing vibrations...... properties, and type and size of the building are governing factors. In the paper, a study is presented aiming at investigating the influence of various parameters of the building's structural design on vibration levels in the structure caused by ground surface loads, e.g. traffic. Parameters studied...
Efficiency of Nearly Periodic Structures for Mitigation of Ground Vibration
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Peplow, Andrew; Bucinskas, Paulius
2017-01-01
be introduced by periodic inclusions or changes to the ground surface geometry. However, for vibration mitigation in the context of real civil-engineering problems related to ground-borne noise from railways, for example, the excitation is not strictly harmonic and a steady state of the response is usually......Periodic structures are known to produce passbands and stopbands for propagation of vibration energy within the frequency domain. Sources vibrating harmonically at a frequency within a passband can lead to propagation of energy through propagating modes over long distances. However, sources...... vibrating at a frequency within a stopband excite only nearfields in the form of attenuating and evanescent modes, and the energy decays with distance. The decay phenomena are due to destructive interference of waves reflected and scattered by interfaces or obstacles placed periodically within or between...
Evaluation of blast-induced vibration effects on structures 1
Energy Technology Data Exchange (ETDEWEB)
Lee, Jong Rim; Jeon, Gyu Shick; Lee, Dae Soo; Joo, Kwang Ho; Lee, Woong Keon [Korea Electrotechnology Research Inst., Changwon (Korea, Republic of); Ryu, Chang Ha; Chung, So Keul; Lee, Kyung Won; Shin, Hee Soon; Chun, Sun Woo; Park, Yeon Jun; Synn, Joong Ho; Choi, Byung Hee [Korea Inst. of Geology Mining and Materials, Taejon (Korea, Republic of)
1995-12-31
Due to the difficulties of obtaining construction site for new plants, following ones are inevitably being built in the site adjacent to existing power plants. Therefore considerable thought has been recently given to the dynamic loading generated by blasting works near the plants to maintain the safety of structures and facilities in power plants. Our own standard for safety level of blast vibration is not prepared yet, and foreign standards have been generally employed without theoretical and experimental verification. Safety-related structures of power plants and facilities have to be protected against the effects of possible hazards due to blast vibration. Earthquakes have been considered a major dynamic design loading as a requirement of plant design, but the effects of blast-induced vibration are not. In order to ensure the safety, rational safe criterion should be established and blast design should be satisfy it, which requires the development of a model for prediction of vibration level through more systematic measurement and analysis. The main objectives of the study are : to provide background data for establishing the rational safe vibration limits, to develop models for prediction of blast vibration level, to establish safe blast design criterion, and to accumulate techniques for field measurements, data acquisition and analysis (author). 80 refs., 347 figs.
Pedestrian induced vertical vibrations: Response to running using the Response Spectrum Method
DEFF Research Database (Denmark)
Matteoni, Giulia; Georgakis, Christos
2010-01-01
Footbridges are increasingly prone to vibrations and designers are generally unable to predict pedestrian-induced vertical vibrations. Many aspects of human loading are infact not properly taken into account for in the load models employed by the international codes of practice, such as the rando...... into account variations in the structural characteristics, crowd morphology and return period. The correction factors, together with the reference acceleration, are used to determine the final response of the footbridge, for a given probability of load occurrence.......Footbridges are increasingly prone to vibrations and designers are generally unable to predict pedestrian-induced vertical vibrations. Many aspects of human loading are infact not properly taken into account for in the load models employed by the international codes of practice......, such as the randomness of crowds travelling across the footbridge. Moreover, the codes, for most of the part, do not deal with pedestrian loading other than walking, even though running and jumping can often produce larger loads and vibration amplitudes. In this paper, an investigation inot the response of footbridges...
Damage to surface structures due to blast vibration
Energy Technology Data Exchange (ETDEWEB)
P.K. Singh; M.P. Roya [Central Institute of Mining and Fuel Research, Dhanbad (India). Blasting Research Group
2010-09-15
This paper describes effect of blast produced ground vibration on damage potential to residential structures to determine safe levels of ground vibration for the residential structures and other buildings in mining areas. Impacts of 341 blasts detonated at two mines were monitored at the test structures and 1871 blast vibrations signatures were recorded on or near the test structures. Cosmetic cracks in a native brick-mud-cement house were detected at peak particle velocities (PPV) between 51.6 and 56.3 mm/s. The reinforced concrete and cement mortar (RCC) structure experienced cosmetic cracks at PPVs of 68.6-71.3 mm/s at the first floor, whereas at second floor it was detected at PPV levels of 71.2-72.2 mm/s. Minor damage in brick-mud-cement house was recorded at PPV levels of 81.0-89.7 mm/s. The RCC structure at first and second floors experienced minor damage at PPV levels of 104 and 98.3-118 mm/s, respectively. The brick-mud-cement house experienced major damage at PPV level of 99.6-113.0 mm/s, while major damage was recorded in RCC structure on first floor at PPV of 122 mm/s, the second floor at PPV levels of 128.9-161 mm/s. Recommended threshold limits of vibrations for the different type of structures is based on these measurements and observations.
Structural health monitoring with a wireless vibration sensor network
Basten, T.G.H.; Schiphorst, F.B.A.
2012-01-01
Advanced maintenance strategies for infrastructure assets such as bridges or off shore wind turbines require actual and reliable information of the maintenance status. Structural health monitoring based on vibration sensing can help in supplying the input needed for structural health monitoring
DESIGN OF VIBRATION AND NOISE CONTROL SYSTEM FOR FLEXIBLE STRUCTURES
Directory of Open Access Journals (Sweden)
В. Макаренко
2012-04-01
Full Text Available In the article the control system is created, which is able to reduce steady-state vibration response of thinwalled flexible structure in the wide band of low frequencies. It is supposed, that the flexible structure is subject to external harmonic force with variable frequencies, and parameters of that force are available for the usage by the control system. The control system is based on pattern search algorithm and suggestion about the dependence of signal, which is formed by the control system, from the steady-state vibration response of the flexible structure. Developed software allows to use pattern search algorithm as the control system for plate vibration in real-time. The influence on control system operation of signal delay of executive device of compensating path and transition process after the change of control signal parameters is done by the usage of the additional idle time. During idle time the control signal is supported. It has parameters that have taken place before the beginning of idle mode. Step reset option for resuming of search after the long-term steady-state vibration of flexible structure do not derange control system operation, because step change take place only after polling cycle termination. The efficiency of proposed system is illustrated experimentally on the example of clamped plate. Experimental results analysis showed the necessity of multiple compensating devices application for vibration reduction in wide frequency range.
Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik
2011-08-01
In this work we report very accurate variational calculations of the complete pure vibrational spectrum of the D2 molecule performed within the framework where the Born-Oppenheimer (BO) approximation is not assumed. After the elimination of the center-of-mass motion, D2 becomes a three-particle problem in this framework. As the considered states correspond to the zero total angular momentum, their wave functions are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even non-negative powers of the internuclear distance. The nonrelativistic energies of the states obtained in the non-BO calculations are corrected for the relativistic effects of the order of α2 (where α = 1/c is the fine structure constant) calculated as expectation values of the operators representing these effects.
Britvin, Sergey N.; Rumyantsev, Andrey M.; Zobnina, Anastasia E.; Padkina, Marina V.
2017-02-01
Molecular structure of 1,4-diazabicyclo[3.2.1]octane, a parent ring of TAN1251 family of alkaloids, is herein characterized for the first time in comparison with the structure of nortropane (8-azabicyclo[3.2.1]octane), the parent framework of tropane ring system. The methods of study involve X-ray structural analysis, DFT geometry optimizations with infrared frequency calculations followed by natural bond orbital (NBO) analysis, and vibrational analysis of infrared spectrum.
Optimal Vibration Control of Civil Engineering Structures
DEFF Research Database (Denmark)
Thesbjerg, Leo
In designing large civil engineering structures, an important consideration is prospective dynamic loadings which may include earthquake ground motion, wind gusts, severe sea states and moving vehicles, rotating and reciprocating machinery and others. successful design of such structures requires...
Vibration control of active structures an introduction
Preumont, Andre
2002-01-01
This text is an introduction to the dynamics of active structures and to the feedback control of lightly damped flexible structures. The emphasis is placed on basic issues and simple control strategies that work.
Berezin, K. V.; Shagautdinova, I. T.; Chernavina, M. L.; Novoselova, A. V.; Dvoretskii, K. N.; Likhter, A. M.
2017-09-01
The experimental vibrational IR spectra of the outer part of lemon peel are recorded in the range of 3800-650 cm-1. The effect of artificial and natural dehydration of the peel on its vibrational spectrum is studied. It is shown that the colored outer layer of lemon peel does not have a noticeable effect on the vibrational spectrum. Upon 28-day storage of a lemon under natural laboratory conditions, only sequential dehydration processes are reflected in the vibrational spectrum of the peel. Within the framework of the theoretical DFT/B3LYP/6-31G(d) method, a model of a plant cell wall is developed consisting of a number of polymeric molecules of dietary fibers like cellulose, hemicellulose, pectin, lignin, some polyphenolic compounds (hesperetin glycoside-flavonoid), and a free water cluster. Using a supermolecular approach, the spectral properties of the wall of a lemon peel cell was simulated, and a detailed theoretical interpretation of the recorded vibrational spectrum is given.
Modelling flow-induced vibrations of gates in hydraulic structures
Erdbrink, C.D.
2014-01-01
The dynamic behaviour of gates in hydraulic structures caused by passing flow poses a potential threat to flood protection. Complex interactions between the turbulent flow and the suspended gate body may induce undesired vibrations. This thesis contributes to a better understanding and prevention of
Formula for Forced Vibration Analysis of Structures Using Static ...
African Journals Online (AJOL)
This Paper proposed and examined a formula for forced vibration analysis of structures using static factored response as equivalent dynamic response. Some methods of dynamic analysis are based on using static factored response as equivalent dynamic response thereby excluding the formulation of the equations of ...
Prediction of Vibration Transmission within Periodic Bar Structures
DEFF Research Database (Denmark)
Domadiya, Parthkumar Gandalal; Andersen, Lars Vabbersgaard; Sorokin, Sergey
2012-01-01
The present analysis focuses on vibration transmission within semi-infinite bar structure. The bar is consisting of two different materials in a periodic manner. A periodic bar model is generated using two various methods: The Finite Element method (FEM) and a Floquet theory approach. A parameter...
Effect of curvature on structures and vibrations of zigzag carbon ...
Indian Academy of Sciences (India)
First-principles pseudopotential-based density functional theory calculations of atomic and electronic structures, full phonon dispersions and thermal properties of zigzag single wall carbon nanotubes (SWCNTs) are presented. By determining the correlation between vibrational modes of a graphene sheet and of the ...
Uncertainty Quantification for Monitoring of Civil Structures from Vibration Measurements
Döhler, Michael; Mevel, Laurent
2014-05-01
Health Monitoring of civil structures can be performed by detecting changes in the modal parameters of a structure, or more directly in the measured vibration signals. For a continuous monitoring the excitation of a structure is usually ambient, thus unknown and assumed to be noise. Hence, all estimates from the vibration measurements are realizations of random variables with inherent uncertainty due to (unknown) process and measurement noise and finite data length. In this talk, a strategy for quantifying the uncertainties of modal parameter estimates from a subspace-based system identification approach is presented and the importance of uncertainty quantification in monitoring approaches is shown. Furthermore, a damage detection method is presented, which is based on the direct comparison of the measured vibration signals without estimating modal parameters, while taking the statistical uncertainty in the signals correctly into account. The usefulness of both strategies is illustrated on data from a progressive damage action on a prestressed concrete bridge. References E. Carden and P. Fanning. Vibration based condition monitoring: a review. Structural Health Monitoring, 3(4):355-377, 2004. M. Döhler and L. Mevel. Efficient multi-order uncertainty computation for stochastic subspace identification. Mechanical Systems and Signal Processing, 38(2):346-366, 2013. M. Döhler, L. Mevel, and F. Hille. Subspace-based damage detection under changes in the ambient excitation statistics. Mechanical Systems and Signal Processing, 45(1):207-224, 2014.
Vibrational spectra and normal coordinate analysis on structure of ...
Indian Academy of Sciences (India)
journal of. December 2008 physics pp. 1291–1300. Vibrational spectra and normal coordinate analysis on structure of chlorambucil and thioguanine. S GUNASEKARAN1, S KUMARESAN2,∗, ... methoprexate are most effective in the treatment of leukemia [5–10] in children. Thioguanine interferes with the conversion of ...
Numerical analysis of free vibrations of damped rotating structures
Gupta, K. K.
1977-01-01
This paper is concerned with the efficient numerical solution of damped and undamped free vibration problems of rotating structures. While structural discretization is achieved by the finite element method, the associated eigenproblem solution is effected by a combined Sturm sequence and inverse iteration technique that enables the computation of a few required roots only without having to compute any other. For structures of complex configurations, a modal synthesis technique is also presented, which is based on appropriate combinations of eigenproblem solution of various structural components. Such numerical procedures are general in nature, which fully exploit matrix sparsity inherent in finite element discretizations, and prove to be most efficient for the vibration analysis of any damped rotating structure, such as rotating machineries, helicopter and turbine blades, spinning space stations, among others.
Passive and Active Vibration Control of Renewable Energy Structures
DEFF Research Database (Denmark)
Zhang, Zili
The present thesis deals with fundamental researches on passive and active vibration control of renewable energy structures, and provides useful models for practical applications. Effective and robust vibration control methods have been explored for mitigating the lightly damped edgewise blade...... solutions for wave energy point absorbers, in order to maximize the mean absorbed power and to deliver more smooth power to the grid. A novel suboptimal causal control law has been established for controlling the motion of the point absorber, and a new type of point absorber has also been proposed...
The ABRAVIBE toolbox for teaching vibration analysis and structural dynamics
DEFF Research Database (Denmark)
Brandt, A.
2013-01-01
Vibration analysis is a subject where students often find it hard to comprehend the fundamental theory. The fact that we have, in general, almost no intuition for dynamic phenomena, means that students need to explore various dynamic phenomena in order to grasp the subject. For this reason......, a MATLAB toolbox (the ABRAVIBE toolbox) has been developed as an accompanying toolbox for the recent book "Noise and Vibration Analysis" by the author. This free, open software, published under GNU Public License, can be used with GNU Octave, if an entirely free software platform is wanted, with a few......). In this paper, an overview of the functionality is given and recommended use in teaching is discussed. It is also shown how the toolbox can be used for general vibration analysis using data from multichannel measurements. Finally, some laboratory exercises for structural dynamics teaching are discussed...
A data driven control method for structure vibration suppression
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.
Rotorcraft airframe structural optimization for combined vibration and fatigue constraints
Sareen, Ashish K.; Schrage, Daniel P.; Murthy, T. S.
1991-01-01
This paper addresses the application of a formal optimization technique in rotorcraft airframe structural design studies to reduce the structural weight, to lower airframe vibrations, and to enhance fatigue life of the structure. Vibration and fatigue considerations in airframe design are described. An optimization methodology based on the use of a nonlinear programming technique to size airframe structural members subjected to constraints on weight, vibration response and fatigue stresses under dynamic loads, are described. The paper focuses on the development of necessary computational tools for airframe structural optimization and describes the sensitivity analysis procedure for these types of design constraints. Further, the paper describes the optimization procedure as implemented in a computer code called DYNOPT which is a unique operational combination of several newly developed Fortran codes as well as modification of existing codes consisting of the direct matrix abstraction modules of the MSC/NASTRAN Program and CONMIN optimizer. The application of the optimization procedure is demonstrated using an elastic-line model of the Bell AH-1G helicopter airframe structure and computational results are discussed.
Karlický, František; Lepetit, Bruno; Kalus, René; Gadéa, Florent Xavier
2011-02-01
The photodissociation dynamics of the argon ionized trimer Ar_3^+ is revisited in the light of recent experimental results of Lepère et al. [J. Chem. Phys. 134, 194301 (2009)], which show that the fragment with little kinetic energy is always a neutral one, thus the available energy is shared by a neutral and ionic fragments as in Ar_2^+. We show that these results can be interpreted as the photodissociation of the linear isomer of the system. We perform a 3D quantum computation of the vibrational spectrum of the system and study the relative populations of the linear (trimer-core) and perpendicular (dimer-core) isomers. We then show that the charge initially located on the central atom in the ground electronic state of the linear isomer migrates toward the extreme ones in the photoexcitation process such that photodissociation of the linear isomer produces a neutral central atom at rest in agreement with measured product state distributions.
Karlický, Frantisek; Lepetit, Bruno; Kalus, René; Gadéa, Florent Xavier
2011-02-28
The photodissociation dynamics of the argon ionized trimer Ar(3)(+) is revisited in the light of recent experimental results of Lepère et al. [J. Chem. Phys. 134, 194301 (2009)], which show that the fragment with little kinetic energy is always a neutral one, thus the available energy is shared by a neutral and ionic fragments as in Ar(2)(+). We show that these results can be interpreted as the photodissociation of the linear isomer of the system. We perform a 3D quantum computation of the vibrational spectrum of the system and study the relative populations of the linear (trimer-core) and perpendicular (dimer-core) isomers. We then show that the charge initially located on the central atom in the ground electronic state of the linear isomer migrates toward the extreme ones in the photoexcitation process such that photodissociation of the linear isomer produces a neutral central atom at rest in agreement with measured product state distributions.
Investigation of structure and vibrational properties of cyclobutane pirimidine dimer
Directory of Open Access Journals (Sweden)
Petković Milena M.
2013-01-01
Full Text Available We performed a theoretical analysis of the structure and vibrational properties of cyclobutane pyrimidine dimer, which is the main product in a photochemical reaction involving two molecules of 1-methylthymine. Thymine is a pyrimidine base that has the highest yield of the dimerization photoproducts. Methylation in position one was chosen because in this position thymine is linked to sugar in DNA. The calculations were performed at the B3LYP/cc-pVTZ level with a Gaussian program package. All molecular geometries were optimized without symmetry constraints in vacuum and D2O. Vibrational frequencies were calculated in the harmonic approximation. It was shown that there are two stable isomers, CPD(cis-syn and CPD(trans-syn. CPD(trans-syn is more stable both in vacuum and in D2O. By dissolving these molecules in D2O, both structures become more stable, although the stabilization of the less stable isomer is more pronounced due to its larger dipole moment. Thus, the difference in stability of the two isomers in D2O is almost two times lower than in vacuum. Because of the similarity of the two isomers’ structures, the difference in their vibrational spectra is not pronounced. Within the harmonic approximation, there is only a slight difference in the C=O and C-H stretching region. The difference in the N-H stretching region is more pronounced; in the CPD(cis-syn molecule the two bonds vibrate separately, whereas in the CPD(trans-syn the two modes couple, and this coupling results in symmetric and asymmetric N-H stretching. The observation shows that a slight difference in geometry can be reflected in the shape of the infrared spectra. A more detailed analysis of the vibrational properties would involve computation of anharmonic coupling terms, which would enable a more precise determination of the peak positions.
Assements of Level of Comfort on a Vibrating Structure
DEFF Research Database (Denmark)
Pedersen, Lars
2008-01-01
The serviceability limit state of structures is subject to increasing attention. Flooring-systems may encounter vertical vibrations that may be perceived as annoying by stationary persons sitting or standing on the structure. This can happen on office floors, on grand stands etc. where humans...... in motion (for instance people walking or jumping) can bring the structure into vibration. The paper looks into human perception of decaying oscillations of floors by doing experiments with a test floor with stationary humans atop. An impulsive load is directed to the floor, and after the decay, the persons...... on the floor are asked to rate the level of discomfort on a scale from 1 to 10, and to assess the size of floor displacement (the initial amplitude of the decay). Tests are carried out with different numbers of people present on the test floor, and with different initial amplitudes of the decay. The paper...
Molecular structure, vibrational spectroscopic studies and natural ...
Indian Academy of Sciences (India)
Home; Journals; Pramana – Journal of Physics; Volume 74; Issue 5. Molecular structure ... The entropy of the title compound was also performed at HF using the hybrid functional BLYP and B3LYP with 6-31 G(d,p) as basis set levels of theory. Natural bond orbital (NBO) analysis of the title molecule is also carried out.
Ramoji, Anuradha; Yenagi, Jayashree; Tonannavar, J
2008-03-01
Vibrational spectral measurements, namely, infrared (4000-400 cm(-1)) and Raman (3500-50 cm(-1)) spectra have been made for 2-Bromohydroquinone. Optimized geometrical structures, harmonic vibrational frequencies and intensities have been computed by the ab initio (RHF), B-based (BLYP, BP86) and B3-based (B3P86, B3LYP, B3PW91) density functional methods using 6-31G(d) basis set. A complete assignment of the observed spectra has been proposed. Coupling of vibrations has been determined by calculating potential energy distributions (PEDs) at BP86/6-31G(d) level of theory. In the computed equilibrium geometries by all the levels, the bond lengths and bond angles show changes in the neighborhood of Bromine. Similarly, the vibrational spectra exhibit some marked spectral features unlike in hydroquinone and phenol. On the other hand, the infrared spectrum shows a clear evidence of O-H...O bonding near 3200 cm(-1) as in hydroquinone. Evaluation of the theoretical methods demonstrates that all the levels but the RHF have reproduced frequencies fairly accurately in the 2000-500 cm(-1); below 500 cm(-1) the RHF has performed reasonably well.
14th International Conference on Acoustics and Vibration of Mechanical Structures
Marinca, Vasile
2018-01-01
This book is a collection of papers presented at Acoustics and Vibration of Mechanical Structures 2017 – AVMS 2017 – highlighting the current trends and state-of-the-art developments in the field. It covers a broad range of topics, such as noise and vibration control, noise and vibration generation and propagation, the effects of noise and vibration, condition monitoring and vibration testing, modeling, prediction and simulation of noise and vibration, environmental and occupational noise and vibration, noise and vibration attenuators, as well as biomechanics and bioacoustics. The book also presents analytical, numerical and experimental techniques for evaluating linear and non-linear noise and vibration problems (including strong nonlinearity). It is primarily intended for academics, researchers and professionals, as well as PhD students in various fields of the acoustics and vibration of mechanical structures.
Free vibration analysis of spinning flexible space structures
Gupta, K. K.
1976-01-01
Efficient computation of natural frequencies and associated free vibration modes of spinning flexible structures is required to accurately determine the nature of interaction between the flexible structure and the attitude control system, which is vital in relating control torques to attitude angles. While structural discretization is effected by the finite element method, the resulting eigenvalue problem is solved by a combined Sturm sequence and inverse iteration procedure that yields a few specified roots and associated vectors. An eigenvalue procedure, based on a simultaneous iteration technique, provides efficient computation of the first few roots and vectors; a modal synthesis procedure proves to be useful for eigenproblem solutions of unusual structures such as spacecraft.
Free vibration analysis of spinning structural systems.
Gupta, K. K.
1973-01-01
This article presents an efficient digital computer procedure, along with the complete listing of the associated computer program, which may be conveniently utilized for the accurate solution of a wide range of practical eigenvalue problems. Important applications of the present work are envisaged in the natural frequency analysis of spinning structures discretized by the finite element technique, and in the determination of transfer functions associated with the dynamic blocks of control systems of spacecraft utilizing gas jets or reaction wheels for attitude control, as well as of spin-stabilized and dual-spin-stabilized satellites. The validity of the Sturm sequence property is first established for the related matrix formulation involving Hermitian and real symmetric, positive-definite matrices, both being usually of highly banded configuration. A numerically stable algorithm based on the Sturm sequence method is then developed which fully exploits the banded form of the associated matrices.
Vibrations of structurally orthotropic laminated shells under thermal power loading
Kogan, E. A.; Lopanitsyn, E. A.
2017-05-01
On the basis of the linearized version of equations obtained in a geometrically nonlinear statement and describing the nonaxisymmetric strain of nonshallow sandwich structure orthotropic shells under thermal power loading, the Rayleigh-Ritz method with polynomial approximation of displacements and shear strains is used to solve the problem of small free vibrations of axisymmetrically thermally preloaded freely supported three-layer conical shell. The causes of dynamical fracture of the shell under study are revealed.
Vibration modeling of structural fuzzy with continuous boundary
DEFF Research Database (Denmark)
Friis, Lars; Ohlrich, Mogens
2008-01-01
From experiments it is well known that the vibration response of a main structure with many attached substructures often shows more damping than structural losses in the components can account for. In practice, these substructures, which are not attached in an entirely rigid manner, behave like...... effect of the fuzzy with spatial memory is demonstrated by numerical simulations of a main beam structure with fuzzy attachments. It is shown that the introduction of spatial memory reduces the damping effect of the fuzzy and in certain cases the damping effect may even be eliminated completely....
Vibrational spectroscopic and structural investigations on fullerene: A DFT approach
Energy Technology Data Exchange (ETDEWEB)
Christy, P. Anto; Premkumar, S.; Asath, R. Mohamed; Mathavan, T.; Benial, A. Milton Franklin, E-mail: miltonfranklin@yahoo.com [Department of Physics, N.M.S.S.V.N. College, Madurai-625 019, Tamil Nadu (India)
2016-05-06
The molecular structure of fullerene (C{sub 60}) molecule was optimized by the DFT/B3LYP method with 6-31G and 6-31G(d,p) basis sets using Gaussian 09 program. The vibrational frequencies were calculated for the optimized molecular structure of the molecule. The calculated vibrational frequencies confirm that the molecular structure of the molecule was located at the minimum energy potential energy surface. The calculated vibrational frequencies were assigned on the basis of functional group analysis and also confirmed using the GaussView 05 software. The frontier molecular orbitals analysis was carried out. The FMOs related molecular properties were predicted. The higher ionization potential, higher electron affinity, higher softness, lower band gap energy and lower hardness values were obtained, which confirm that the fullerene molecule has a higher molecular reactivity. The Mulliken atomic charge distribution of the molecule was also calculated. Hence, these results play an important role due to its potential applications as drug delivery devices.
Inoue, Katsumi; Krantz, Timothy L.
1995-01-01
While the vibration analysis of gear systems has been developed, a systematic approach to the reduction of gearbox vibration has been lacking. The technique of reducing vibration by shifting natural frequencies is proposed here for gearboxes and other thin-plate structures using the theories of finite elements, modal analysis, and optimization. A triangular shell element with 18 degrees of freedom is developed for structural and dynamic analysis. To optimize, the overall vibration energy is adopted as the objective function to be minimized at the excitation frequency by varying the design variable (element thickness) under the constraint of overall constant weight. Modal analysis is used to determine the sensitivity of the vibration energy as a function of the eigenvalues and eigenvectors. The optimum design is found by the gradient projection method and a unidimensional search procedure. By applying the computer code to design problems for beams and plates, it was verified that the proposed method is effective in reducing vibration energy. The computer code is also applied to redesign the NASA Lewis gear noise rig test gearbox housing. As one example, only the shape of the top plate is varied, and the vibration energy levels of all the surfaces are reduced, yielding an overall reduction of 1/5 compared to the initial design. As a second example, the shapes of the top and two side plates are varied to yield an overall reduction in vibration energy of 1/30.
Directory of Open Access Journals (Sweden)
E. O. Zaitsev
2016-01-01
Full Text Available The objective of this paper is development and experimental verification special software of spectral analysis. Spectral analysis use of controlled vibrations objects. Spectral analysis of vibration based on use maximum-entropy autoregressive method of spectral analysis by the Berg algorithm. For measured signals use preliminary analysis based on regression analysis. This analysis of the signal enables to eliminate uninformative parameters such as – the noise and the trend. For preliminary analysis developed special software tools. Non-contact measurement of mechanical vibrations parameters rotating diffusely-reflecting surfaces used in circumstances where the use of contact sensors difficult or impossible for a number of reasons, including lack of access to the object, the small size of the controlled area controlled portion has a high temperature or is affected by strong electromagnetic fields. For control use offered laser measuring system. This measuring system overcomes the shortcomings interference or Doppler optical measuring systems. Such as measure the large amplitude and inharmonious vibration. On the basis of the proposed methods developed special software tools for use measuring laser system. LabVIEW using for developed special software. Experimental research of the proposed method of vibration signals processing is checked in the analysis of the diagnostic information obtained by measuring the vibration system grinding diamond wheel cold solid tungsten-containing alloy TK8. A result of work special software tools was complex spectrum obtained «purified» from non-informative parameters. Spectrum of the signal corresponding to the vibration process observed object.
NASTRAN nonlinear vibration analysis of beam and frame structures
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.
Numerical Analysis of Vibrations of Structures under Moving Inertial Load
Bajer, Czeslaw I
2012-01-01
Moving inertial loads are applied to structures in civil engineering, robotics, and mechanical engineering. Some fundamental books exist, as well as thousands of research papers. Well known is the book by L. Frýba, Vibrations of Solids and Structures Under Moving Loads, which describes almost all problems concerning non-inertial loads. This book presents broad description of numerical tools successfully applied to structural dynamic analysis. Physically we deal with non-conservative systems. The discrete approach formulated with the use of the classical finite element method results in elemental matrices, which can be directly added to global structure matrices. A more general approach is carried out with the space-time finite element method. In such a case, a trajectory of the moving concentrated parameter in space and time can be simply defined. We consider structures described by pure hyperbolic differential equations such as strings and structures described by hyperbolic-parabolic differential equations ...
Stabilizing Optical Path Length On A Vibrating Structure
Spanos, John T.; Rahman, Zahidul H.
1995-01-01
Prototype apparatus constructed to test feasibility of feedback control concept for stabilization of length of optical path between two points on vibrating flexible structure. In original intended application, structure is truss having dimensions of order of meters and supports optical components of stellar interferometer. Interferometry and feedback control reduce path-length disturbances. Some aspects of present feedback control concept and prototype apparatus described in "Controllable Optical Delay Line for Stellar Interferometry" (NPO-18686), and "Test Bed for Control of Optical-Path Lengths" (NPO-18487).
Feasibility of structural monitoring with vibration powered sensors
Elvin, Niell G.; Lajnef, Nizar; Elvin, Alex A.
2006-08-01
Wireless sensors and sensor networks are beginning to be used to monitor structures. In general, the longevity, and hence the efficacy, of these sensors are severely limited by their stored power. The ability to convert abundant ambient energy into electric power would eliminate the problem of drained electrical supply, and would allow indefinite monitoring. This paper focuses on vibration in civil engineering structures as a source of ambient energy; the key question is can sufficient energy be produced from vibrations? Earthquake, wind and traffic loads are used as realistic sources of vibration. The theoretical maximum energy levels that can be extracted from these dynamic loads are computed. The same dynamic loads are applied to a piezoelectric generator; the energy is measured experimentally and computed using a mathematical model. The collected energy levels are compared to the energy requirements of various electronic subsystems in a wireless sensor. For a 5 cm3 sensor node (the volume of a typical concrete stone), it is found that only extreme events such as earthquakes can provide sufficient energy to power wireless sensors consisting of modern electronic chips. The results show that the optimal generated electrical power increases approximately linearly with increasing sensor mass. With current technology, it would be possible to self-power a sensor node with a mass between 100 and 1000 g for a bridge under traffic load. Lowering the energy consumption of electronic components is an ongoing research effort. It is likely that, as electronics becomes more efficient in the future, it will be possible to power a wireless sensor node by harvesting vibrations from a volume generator smaller than 5 cm3.
Passive vibration control: a structure-immittance approach
Zhang, Sara Ying; Jiang, Jason Zheng; Neild, Simon A.
2017-05-01
Linear passive vibration absorbers, such as tuned mass dampers, often contain springs, dampers and masses, although recently there has been a growing trend to employ or supplement the mass elements with inerters. When considering possible configurations with these elements broadly, two approaches are normally used: one structure-based and one immittance-based. Both approaches have their advantages and disadvantages. In this paper, a new approach is proposed: the structure-immittance approach. Using this approach, a full set of possible series-parallel networks with predetermined numbers of each element type can be represented by structural immittances, obtained via a proposed general formulation process. Using the structural immittances, both the ability to investigate a class of absorber possibilities together (advantage of the immittance-based approach), and the ability to control the complexity, topology and element values in resulting absorber configurations (advantages of the structure-based approach) are provided at the same time. The advantages of the proposed approach are demonstrated through two case studies on building vibration suppression and automotive suspension design, respectively.
Energy harvesting from structural vibrations of magnetic shape memory alloys
Farsangi, Mohammad Amin Askari; Cottone, Francesco; Sayyaadi, Hassan; Zakerzadeh, Mohammad Reza; Orfei, Francesco; Gammaitoni, Luca
2017-03-01
This letter presents the idea of scavenging energy from vibrating structures through magnetic shape memory alloy (MSMA). To this end, a MSMA specimen made of Ni50Mn28Ga22 is coupled to a cantilever beam through a step. Two permanent magnets installed at the top and bottom of the beam create a bias field perpendicular to the magnetization axis of the specimen. When vibrating the device, a longitudinal axial load applies on the MSMA, which in turn changes the magnetization, due to the martensitic variant reorientation mechanism. A pick-up coil wounded around the MSMA converts this variation into voltage according to the Faraday's law. Experimental test confirms the possibility of generating voltage in a vibrating MSMA. In particular, 15 μW power is harvested for acceleration of 0.3 g RMS at a frequency of 19.1 Hz, which is comparable with piezoelectric energy harvesters. It is also found that the optimum bias magnetic field for maximum voltage is lower than the starting field of pseudo elastic behavior.
Vibration Based Methods For Damage Detection In Structures
Directory of Open Access Journals (Sweden)
Manoach E.
2016-01-01
Full Text Available Vibration based damage detection methods are among the most popular and promising approaches for health monitoring of structures. In this work a critical review of different methods for damage detection methods of structures is presented. The theoretical bases of the most popular methods based on the changes in the modal properties of the structures are deduced. The review includes the modal displacements, the mode shape slopes, the modal curvatures and the strain energy methods. The efficiency of all these methods is compared by using a finite element analysis of intact and damaged beams. The methods are tested experimentally by using a scanning laser vibrometer to measure the modal properties of specially prepared composite beams with defects. All this methods are compared with the damage detection method based on the analysis of the Poincaré maps of the motion of the structures. Conclusions concerning the advantages and the applicability of the considered methods are deduced.
Acoustically Induced Vibration of Structures: Reverberant Vs. Direct Acoustic Testing
Kolaini, Ali R.; O'Connell, Michael R.; Tsoi, Wan B.
2009-01-01
Large reverberant chambers have been used for several decades in the aerospace industry to test larger structures such as solar arrays and reflectors to qualify and to detect faults in the design and fabrication of spacecraft and satellites. In the past decade some companies have begun using direct near field acoustic testing, employing speakers, for qualifying larger structures. A limited test data set obtained from recent acoustic tests of the same hardware exposed to both direct and reverberant acoustic field testing has indicated some differences in the resulting structural responses. In reverberant acoustic testing, higher vibration responses were observed at lower frequencies when compared with the direct acoustic testing. In the case of direct near field acoustic testing higher vibration responses appeared to occur at higher frequencies as well. In reverberant chamber testing and direct acoustic testing, standing acoustic modes of the reverberant chamber or the speakers and spacecraft parallel surfaces can strongly couple with the fundamental structural modes of the test hardware. In this paper data from recent acoustic testing of flight hardware, that yielded evidence of acoustic standing wave coupling with structural responses, are discussed in some detail. Convincing evidence of the acoustic standing wave/structural coupling phenomenon will be discussed, citing observations from acoustic testing of a simple aluminum plate. The implications of such acoustic coupling to testing of sensitive flight hardware will be discussed. The results discussed in this paper reveal issues with over or under testing of flight hardware that could pose unanticipated structural and flight qualification issues. Therefore, it is of paramount importance to understand the structural modal coupling with standing acoustic waves that has been observed in both methods of acoustic testing. This study will assist the community to choose an appropriate testing method and test setup in
Active Vibration Control of a Monopile Offshore Structure
DEFF Research Database (Denmark)
Nielsen, Søren R. K.; Kirkegaard, Poul Henning; Thesbjerg, L.
1999-01-01
of the fluid velocity relative to the platform, and only this quantity need to be measured, which is easily performed by a flow meter fixed to the platform. The efficiency of the described closed loop control system has been verified by model tests in a wave flume in both regular and irregular wave conditions......In the Danish part of the North Sea monopile platforms with a cylindrical shaft have been used at the exploitation of marginal fields. In the paper a new principle for active vibration control of such structures is suggested. The principle is based on a control of the boundary layer flow around...
Semi-decentralized Strategies in Structural Vibration Control
Directory of Open Access Journals (Sweden)
F. Palacios-Quiñonero
2011-04-01
Full Text Available In this work, the main ideas involved in the design of overlapping and multi-overlapping controllers via the Inclusion Principle are discussed and illustrated in the context of the Structural Vibration Control of tall buildings under seismic excitation. A detailed theoretical background on the Inclusion Principle and the design of overlapping controllers is provided. Overlapping and multi-overlapping LQR controllers are designed for a simplified five-story building model. Numerical simulations are conducted to asses the performance of the proposed semi-decentralized controllers with positive results.
Harvesting Energy from Vibrations of the Underlying Structure
DEFF Research Database (Denmark)
Han, Bo; Vssilaras, S; Papadias, C.B.
2013-01-01
The use of wireless sensors for structural health monitoring offers several advantages such as small size, easy installation and minimal intervention on existing structures. However the most significant concern about such wireless sensors is the lifetime of the system, which depends heavily on th...... an improved Maximum Power Point Tracking technique on the conversion circuit, the proposed method is shown to maximize the conversion coefficient from kinetic energy to applicable electrical energy....... emerges as a technique that can harvest energy from the surrounding environment. Among all possible energy harvesting solutions, kinetic energy harvesting seems to be the most convenient, especially for sensors placed on structures that experience regular vibrations. Such micro-vibrations can be harmful...... on the type of power supply. No matter how energy efficient the operation of a battery operated sensor is, the energy of the battery will be exhausted at some point. In order to achieve a virtually unlimited lifetime, the sensor node should be able to recharge its battery in an easy way. Energy harvesting...
Vibration control of a flexible structure with electromagnetic actuators
DEFF Research Database (Denmark)
Gruzman, Maurício; Santos, Ilmar
2016-01-01
This work presents the model of a shear-frame-type structure composed of six flexible beams and three rigid masses. Fixed on the ground, outside the structure, two voltage-controlled electromagnetic actuators are used for vibration control. To model the flexible beams, unidimensional finite...... elements were used. Nonlinear equations for the actuator electromagnetic force, noise in the position sensor, time delays for the control signal update and voltage saturation were also considered in the model. For controlling purposes, a discrete linear quadratic regulator combined with a predictive full......-order discrete linear observer was employed. Results of numerical simulations, where the structure is submitted to an impulsive disturbance force and to a harmonic force, show that the oscillations can be significantly reduced with the use of the electromagnetic actuators....
Control of noise and structural vibration a MATLAB-based approach
Mao, Qibo
2013-01-01
Control of Noise and Structural Vibration presents a MATLAB®-based approach to solving the problems of undesirable noise generation and transmission by structures and of undesirable vibration within structures in response to environmental or operational forces. The fundamentals of acoustics, vibration and coupling between vibrating structures and the sound fields they generate are introduced including a discussion of the finite element method for vibration analysis. Following this, the treatment of sound and vibration control begins, illustrated by example systems such as beams, plates and double plate structures. Sensor and actuator placement is explained as is the idea of modal sensor–actuators. The design of appropriate feedback systems includes consideration of basic stability criteria and robust active structural acoustic control. Single and multi-mode positive position feedback (PPF) control systems are also described in the context of loudspeaker–duct model with non-collocated loudspeaker–microp...
Parametric and Non-Parametric Vibration-Based Structural Identification Under Earthquake Excitation
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
The vibrational spectrum of the atoms in the grain boundaries of nanocrystalline Pd
Energy Technology Data Exchange (ETDEWEB)
Stuhr, U. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Wipf, H.; Hahn, H. [Technische Hochschule Darmstadt (Germany); Natter, H.; Hemperlmann, R. [Universitaet des Saarlandes, Saarbruecken (Germany); Andersen, K. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)
1997-09-01
The vibrational excitations of the atoms in nanocrystalline Pd was investigated by neutron-time-of-flight spectroscopy. Hydrogen was used as a probe for the vibrations in the grain boundaries. The separation between the H and Pd vibrations was done by spin analysis. The results show that in the grain boundary the density of states of low energy excitations ({<=}5 meV) is drastically increased. (author) 3 figs., 3 refs.
Features of vibrations of structural inhomogeneous solid media
Karimbaev, Telman; Baishagirov, Khairulla; Nurgaliyeva, Saltanat
2017-09-01
Homogeneous or quasi-homogeneous classic models of deformation are generally used at a mathematical de-scription of deformation composite materials (CM). These theories, however, are limited within initial conditions and do not cover the most important properties of CM: heterogeneity of inertia and elasticity of components, their interaction when deforming, etc. Among the models that complement the classical theories, it is possible to allocate the so-called theory of mixture where CM is considered as two (or more) interacting homogeneous continuum. Therefore, the model increase of motion freedom degrees of the particles of such heterogeneous medium allows each component of CM to show their inertial properties. This leads to the identification of such exclusive features as "bifurcation of fre-quencies", i.e., to description of motion on each form of normal modes at two different frequencies. In the research this phenomenon was investigated by the analysis of biquadratic equation obtained at solving the proper value problem of heterogeneous medium, and was verified by testing the normal mode of frequencies of blades made of CM. In the particular case there was received a simple calculation formula for determination of bar technical frequencies from CM on the basis of the characteristic equation of natural vibrations. In this case the numerical results for the lower forms of the vibration normal mode coincide with the experimental data for homogeneous medium. The characteristic equation contains the introduced physical parameters of the two-component theory; therefore, it describes the other forms of vibration. However, in this case the freedom of structural fluctuations of CM each component is limited to their coupling and interaction, providing continuity and shared the compound materials.
Steps for Vibration Reduction of 50kg-Class Micro-Satellite Structure
Nakamura, Masato; Furukawa, Takuya; Chiba, Masakatsu; Okubo, Hiroshi; Akita, Takeshi; Sugiyama, Yoshihiko; Nakamura, Yosuke; Imamura, Hiroaki; Umehara, Nobuhito
The paper reports several steps taken to reduce vibration responses of a 50kg-class micro-satellite structure, which is subjected to severe mechanical/vibratory environment during launching. In order to satisfy the required mechanical interface conditions, anti-vibration design of satellite structure was modified to enhance damping capacity of the structure by applying adherent aisogrid-panel, honeycomb panel, polyimid-tape-inserted connections, and damping pads. Considerable reduction of vibration responses was confirmed by vibration test of structural-thermal model.
Vibration measurement on large structures by microwave remote sensing
Gentile, Carmelo
2012-06-01
Recent advances in radar techniques and systems have led to the development of microwave interferometers, suitable for the non-contact vibration monitoring of large structures. In the first part of the paper, the main techniques adopted in microwave remote sensing are described, so that advantages and potential issues of these techniques are addressed and discussed. Subsequently, the results of past and recent tests of full-scale structures are presented, in order to demonstrate the reliability and accuracy of microwave remote sensing; furthermore, the simplicity of use of the radar technology is exemplified in practical cases, where the access with conventional techniques is uneasy or even hazardous, such as the stay cables of cable-stayed bridges.
Free vibration analysis of coupled fluid-structure systems
Gupta, K. K.
1982-01-01
An efficient numerical technique for the eigenvalue solution in the free vibration analysis of compressible fluid-structure coupled systems is presented. The fluid is assumed to be compressible in nature and the incompressible problem is only a special case of the present generalized algorithm. A natural frequency analysis of the structure in the absence of any fluid is achieved by a combined Sturm sequence and inverse iteration technique that computes only the required eigenvalues and vectors. A special inverse iteration scheme is then developed for the coupled system that uses the computed eigenvalues as starting iteration values for convergence. Numerical results obtained by solving a number of standard test cases indicate the pattern of root convergence corresponding to various simplifying assumptions.
Nicu, V.P.; Domingos, S.R.; Strudwick, B.H.; Brouwer, A.M.; Buma, W.J.
2015-01-01
A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low-energy conformers of dehydroquinidine reveals the existence of families of pseudo-conformers, the structures of which differ mostly in the orientation of a single
Molecular and vibrational structure of thiosulfonate S-esters
DEFF Research Database (Denmark)
Luu, Thi Xuan Thi; Duus, Fritz; Spanget-Larsen, Jens
2013-01-01
/cc-pVTZ). The vibrational spectra of 2 and 3 are sensitive to the orientation of the alkyl group attached to the sulfonylic sulfur atom. Rotamers corresponding to anti and gauche conformations are thus predicted to have distinctly different vibrational transitions in the 800–400 cm–1 region. The observed vibrational...
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.
Directory of Open Access Journals (Sweden)
Xiuting Sun
2016-01-01
Full Text Available The nonlinear effect incurred by time delay in vibration control is investigated in this study via a vibration absorber coupled with a continuous beam structure. The stability of the vibration absorber coupled structure system with time-delay coupling is firstly studied, which provides a general guideline for the potential time delay to be introduced to the system. Then it is shown that there is a specific region for the time delay which can bring bifurcation modes to the dynamic response of the coupling system, and the vibration energy at low frequencies can be transferred or absorbed due to the bifurcation mode and the vibration in the corresponding frequency range is thus suppressed. The nonlinear mechanism of this vibration suppression incurred by the coupling time delay is discussed in detail, which provides a novel and alternative approach to the analysis, design, and control of vibration absorbers in engineering practice.
Vibrational analysis of Fourier transform spectrum of the B 3− u (0
Indian Academy of Sciences (India)
... microwave, was recorded on BOMEM DA8 Fourier transform spectrometer at an apodized resolution of 0.035 cm-1. Vibrational constants were improved by putting the wave number of band origins in Deslandre table. The vibrational analysis was supported by determining the Franck–Condon factor and -centroid values.
Microwave Spectra, Structure, and Ring-Puckering Vibration of Octafluorocyclopentene.
Long, B E; Arsenault, Eric A; Obenchain, Daniel A; Choi, Yoon Jeong; Ocola, Esther J; Laane, Jaan; Pringle, Wallace C; Cooke, S A
2016-11-03
The rotational spectra of octafluorocyclopentene (C5F8) has been measured for the first time using pulsed jet Fourier transform microwave spectroscopy in a frequency range of 6 to 16 GHz. As in the molecule cyclopentene, the carbon ring is nonplanar, and inversion through the plane results in an inversion pair of ground state vibrational energy levels with an inversion splitting of 18.4 MHz. This large amplitude motion leads to the vibration-rotation coupling of energy levels. The symmetric double minimum ring-puckering potential function was calculated, resulting in a barrier of 222 cm-1. The rotational constants A0 = 962.9590(1) MHz, B0 = 885.1643(4) MHz, C0 = 616.9523(4) MHz, A1 = 962.9590(1) MHz, B1 = 885.1643(4) MHz, C1 = 616.9528(4) MHz, and two centrifugal distortion constants for each state were determined for the parent species and all 13C isotopologues. A mixed coordinate molecular structure was determined from a least-squares fit of the ground state rotational constants of the parent and each 13C isotopologue combined with the equilibrium bond lengths and angles from quantum chemical calculations.
Lee, Gyeongjin; Kim, Junwoo; Kim, So Young; Kim, Dong Eon; Joo, Taiha
2017-03-17
Coherent nuclear wave packet motions in an electronic excited state of a molecule are measured directly by time-resolved spontaneous fluorescence spectroscopy with an unprecedented time resolution by using two-photon absorption excitation and fluorescence upconversion by noncollinear sum frequency generation. With an estimated time resolution of approximately 25 fs, wave packet motions of vibrational modes up to 1600 cm(-1) are recorded for coumarin 153 in ethanol. Two-color transient absorption at 13 fs time resolution are measured to confirm the result. Vibrational displacements between the ground and excited states and Huang-Rhys factors (HRFs) are calculated by quantum mechanical methods and are compared with the experimental results. HRFs calculated by density functional theory (DFT) and time-dependent DFT reproduce the experiment adequately. This fluorescence-based method provides a unique and direct way to obtain the vibrational spectrum of a molecule in an electronic excited state and the HRFs, as well as the dynamics of excited states, and it might provide information on the structure of an excited state through the HRFs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Directory of Open Access Journals (Sweden)
Dongying Han
2017-01-01
Full Text Available For the damage identification of derrick steel structures, traditional methods often require high-order vibration information of structures to identify damage accurately. However, the high-order vibration information of structures is difficult to acquire. Based on the technology of signal feature extraction, only using the low-order vibration information, taking the right front leg as an example, we analyzed the selection of HHT marginal spectrum amplitude and the calculation process of its curvature in practical application, designed the damage conditions of a derrick steel structure, used the index and intrinsic mode function (IMF instantaneous energy curvature method to perform the damage simulation calculation and comparison, and verified the effect of identifying the damage location in a noisy environment. The results show that the index can accurately determine the location of the damage element and weak damage element and can be used to qualitatively analyze the damage degree of the element; under the impact load, the noise hardly affects the identification of the damage location. Finally, this method was applied to the ZJ70 derrick steel structure laboratory model and compared with the IMF instantaneous energy curvature method. We verified the feasibility of this method in the damage location simulation experiment.
Intelligent failure-proof control system for structural vibration
Energy Technology Data Exchange (ETDEWEB)
Yoshida, Kazuo [Keio Univ., Yokohama (Japan). Faculty of Science and Technology; Oba, Takahiro [Keio Univ., Tokyo (Japan)
2000-11-01
With progress of technology in recent years, gigantism and complication such as high-rise buildings, nuclear reactors and so on have brought about new problems. Particularly, the safety and the reliability for damages in abnormal situations have become more important. Intelligent control systems which can judge whether the situation is normal or abnormal at real time and cope with these situations suitably are demanded. In this study, Cubic Neural Network (CNN) is adopted, which consists of the controllers possessing cubically some levels of information abstracting. In addition to the usual quantitative control, the qualitative control is used for the abnormal situations. And, by selecting a suitable controller, CNN can cope with the abnormal situation. In order to confirm the effectiveness of this system, the structural vibration control problems with sensory failure and elasto-plastic response are dealt with. As a result of simulations, it was demonstrated that CNN can cope with unexpected abnormal situations which are not considered in learning. (author)
Smart nanocoated structure for energy harvesting at low frequency vibration
Sharma, Sudhanshu
Increasing demands of energy which is cleaner and has an unlimited supply has led development in the field of energy harvesting. Piezoelectric materials can be used as a means of transforming ambient vibrations into electrical energy that can be stored and used to power other devices. With the recent surge of micro scale devices, piezoelectric power generation can provide a convenient alternative to traditional power sources. In this research, a piezoelectric power generator composite prototype was developed to maximize the power output of the system. A lead zirconate titanate (PZT) composite structure was formed and mounted on a cantilever bar and was studied to convert vibration energy of the low range vibrations at 30 Hz--1000 Hz. To improve the performance of the PZT, different coatings were made using different percentage of Ferrofluid (FNP) and Zinc Oxide nanoparticles (ZnO) and binder resin. The optimal coating mixture constituent percentage was based on the performance of the composite structure formed by applying the coating on the PZT. The fabricated PZT power generator composite with an effective volume of 0.062 cm3 produced a maximum of 44.5 μW, or 0.717mW/cm3 at its resonant frequency of 90 Hz. The optimal coating mixture had the composition of 59.9%FNP + 40% ZnO + 1% Resin Binder. The coating utilizes the opto-magneto-electrical properties of ZnO and Magnetic properties of FNP. To further enhance the output, the magneto-electric (ME) effect was increased by subjecting the composite to magnetic field where coating acts as a magnetostrictive material. For the effective volume of 0.0062 cm 3, the composite produced a maximum of 68.5 μW, or 1.11mW/cm 3 at its resonant frequency of 90 Hz at 160 gauss. The optimal coating mixture had the composition of 59.9% FNP + 40% ZnO + 1% Resin Binder. This research also focused on improving the efficiency of solar cells by utilizing the magnetic effect along with gas plasma etching to improve the internal reflection
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.
Directory of Open Access Journals (Sweden)
Seung-Bok Choi
2013-02-01
Full Text Available 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.
Active Vibration Control of a Flexible Structure Using Piezoceramic Actuators
Directory of Open Access Journals (Sweden)
J. Fei
2008-03-01
Full Text Available Considerable attention has been devoted recently to active vibration control using intelligent materials as actuators. This paper presents results on active control schemes for vibration suppression of flexible steel cantilever beam with bonded piezoelectric actuators. The PZT patches are surface bonded near the fixed end of flexible steel cantilever beam. The dynamic model of the flexible steel cantilever beam is derived. Active vibration control methods, strain rate feedback control (SRF, positive position feedback control (PPF are investigated and implemented using xPC Target real-time system. Experimental results demonstrate that the SRF control and PPF control achieve effective vibration suppression results of steel cantilever beam.
Mitigating ground vibration by periodic inclusions and surface structures
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Bucinskas, Paulius; Persson, Peter
2016-01-01
Ground vibration from traffic is a source of nuisance in urbanized areas. Trenches and wave barriers can provide mitigation of vibrations, but single barriers need to have a large depth to be effective-especially in the low-frequency range relevant to traffic-induced vibration. Alternatively......-dimensional finite-element model. The laboratory model employs soaked mattress foam placed within a box to mimic a finite volume of soil. The dynamic properties of the soaked foam ensure wavelengths representative of ground vibration in small scale. Comparison of the results from the two models leads...
Advances in structural vibration control application of magneto-rheological visco-elastomer
Directory of Open Access Journals (Sweden)
Zuguang Ying
2017-03-01
Full Text Available Magneto-rheological visco-elastomer (MRVE as a new smart material developed in recent years has several significant advantages over magneto-rheological liquid. The adjustability of structural dynamics to random environmental excitations is required in vibration control. MRVE can supply considerably adjustable damping and stiffness for structures, and the adjustment of dynamic properties is achieved only by applied magnetic fields with changeless structure design. Increasing researches on MRVE dynamic properties, modeling, and vibration control application are presented. Recent advances in MRVE dynamic properties and structural vibration control application including composite structural vibration mitigation under uniform magnetic fields, vibration response characteristics improvement through harmonic parameter distribution, and optimal bounded parametric control design based on the dynamical programming principle are reviewed. Relevant main methods and results introduced are beneficial to understanding and researches on MRVE application and development.
Structured illumination microscopy for vibrational molecular imaging (Conference Presentation)
Watanabe, Kozue; Palonpon, Almar F.; Smith, Nicholas I.; Chiu, Liang-da; Kasai, Atsushi; Hashimoto, Hitoshi; Kawata, Satoshi; Fujita, Katsumasa
2016-09-01
Raman microscopy is a powerful tool for analytical imaging. The wavelength shift of Raman scattering corresponds to molecular vibrational energy. Therefore, we can access rich chemical information, such as distribution, concentration, and chemical environment of sample molecules. Despite these strengths of Raman microscopy, the spatial resolution has been a limiting factor for many practical applications. In this study, we developed a large-area, high-resolution Raman microscope by utilizing structured illumination microscopy (SIM) to overcome the spatial resolution limit. A structured line-illumination (SLI) Raman microscope was constructed. The structured illumination is introduced along the line direction by the interference of two line-shaped beams. In SIM, the spatial frequency mixing between structured illumination and Raman scattering from the sample allows access to the high spatial frequency information beyond the conventional cut-off. As a result, the FWHM of 40-nm fluorescence particle images showed a clear resolution enhancement in the line direction: 366 nm in LI and 199 nm in SLI microscope. Using the developed microscope, we successfully demonstrated high-resolution Raman imaging of various kinds of specimens, such as few-layer graphene, graphite, mouse brain tissue, and polymer nanoparticles. The high resolution Raman images showed the capability to extract original spectral features from the mixed Raman spectra of a multi-component sample because of the enhanced spatial resolution, which is advantageous in observing complex spectral features. The Raman microscopy technique reported here enables us to see the detailed chemical structures of chemical, biological, and medical samples with a spatial resolution smaller than 200 nm.
Another approach to vibrational analysis of stepped structures
CSIR Research Space (South Africa)
Fedotov, I
2006-01-01
Full Text Available Hz. First resonance is a pendulum mode at which the stepped bar vibrates as “rigid” pendu- lum. All other modes are “longitudinal”. Geometry of the bar was specially chosen so that vibration amplitude of the junction between the cylindrical...
Modelling, structural, thermal, optical and vibrational studies of a ...
Indian Academy of Sciences (India)
sis of all the fundamental vibration modes using the VEDA. 4 program [21]. Scaling factors used in this study were taken from literature [22]. In order to take into account the effect of intermolecular interactions on geometrical parameters and vibrational spectroscopy, we have considered an appropriate cluster model built up ...
Active structural elements within a general vibration control framework
Holterman, J.; de Vries, Theodorus J.A.; Isermann, R.
2000-01-01
High-precision machines typically suffer from small but annoying vibrations. As the most appropriate solution to a particular vibration problem is not always obvious, it may be convenient to cast the problem in a more general framework. This framework may then be used for frequency response
Structural characterization of carbon nanotubes via the vibrational density of states
Pool, Albert J.; Jain, Sandeep K.; Barkema, Gerard T.
2017-01-01
The electrical and chemical properties of carbon nanotubes vary significantly with different chirality and diameter, making the experimental determination of these structural properties important. Here, we show that the vibrational density of states (VDOS) contains information on the structure of
Flow induced vibrations of the CLIC X-Band accelerating structures
Charles, Tessa; Boland, Mark; Riddone, Germana; Samoshkin, Alexandre
2011-01-01
Turbulent cooling water in the Compact Linear Collider (CLIC) accelerating structures will inevitably induce some vibrations. The maximum acceptable amplitude of vibrations is small, as vibrations in the accelerating structure could lead to beam jitter and alignment difficulties. A Finite Element Analysis model is needed to identify the conditions under which turbulent instabilities and significant vibrations are induced. Due to the orders of magnitude difference between the fluid motion and the structure’s motion, small vibrations of the structure will not contribute to the turbulence of the cooling fluid. Therefore the resonant conditions of the cooling channels presented in this paper, directly identify the natural frequencies of the accelerating structures to be avoided under normal operating conditions. In this paper a 2D model of the cooling channel is presented finding spots of turbulence being formed from a shear layer instability. This effect is observed through direct visualization and wavelet ana...
Vibration-based localisation of structural deterioration in frame-like civil engineering structures
DEFF Research Database (Denmark)
Ulriksen, Martin Dalgaard; Damkilde, Lars
2016-01-01
to other structural systems, for instance, wind turbines—can provide reliable damage localisation in frame-like structures. The performance of the method, which is based on statistical interrogation of changes in a surrogate of the transfer matrix, is tested in a Monte Carlo setting with a numerical steel......With the existing trend of minimising material use in typical frame-like civil engineering structures, such as buildings, bridges, and offshore platforms, these structures will typically be subjected to substantial wind induced vibrations. Besides being a source of disturbance for the occupants...... frame model subjected to white noise excitation....
2010-04-01
... the structure to withstand transportation shock and vibration. 3280.903 Section 3280.903 Housing and... structure to withstand transportation shock and vibration. (a) The cumulative effect of highway transportation shock and vibration upon a manufactured home structure may result in incremental degradation of...
Vibration based structural health monitoring of a composite T-beam
Ooijevaar, T.H.; Loendersloot, Richard; Warnet, Laurent; de Boer, Andries; Akkerman, Remko
2010-01-01
A vibration based damage identification method is investigated experimentally for a 2.5-dimensional composite structure. The dynamic response of an intact and a locally delaminated 16-layer unidirectional carbon fibre PEKK reinforced T-beam is considered. A force–vibration set-up, including a laser
An analysis of vibration-rotation lines of OH in the solar infrared spectrum
Grevesse, N.; Sauval, A.J.; Dishoeck, van E.F.
1984-01-01
High resolution solar spectra have permitted the measurement with great accuracy of equivalent widths of vibration-rotation lines of OH in the X2Pi state near 3-micron wavelength. Using recent theoretical results for the transition probabilities, a solar oxygen abundance of (8.93 + or - 0.02) is
Vibration-rotation bands of CH in the solar infrared spectrum and the solar carbon abundance
Grevesse, N.; Lambert, D.L.; Sauval, A.J.; Dishoeck, van E.F.; Farmer, C.B.; Norton, R.H.
1991-01-01
High resolution solar spectra obtained from the ATMOS Fourier Transform Spectrometer (Spacelab 3 flight on April 29-May 6, 1985) have made it possible to identify and measure a large number of lines of the vibration-rotation fundamental bands of the X2 Pi state of CH. From about 100 lines of the
Free vibration and dynamic response analysis of spinning structures
1986-01-01
The proposed effort involved development of numerical procedures for efficient solution of free vibration problems of spinning structures. An eigenproblem solution procedure, based on a Lanczos method employing complex arithmetic, was successfully developed. This task involved formulation of the numerical procedure, FORTRAN coding of the algorithm, checking and debugging of software, and implementation of the routine in the STARS program. A graphics package for the E/S PS 300 as well as for the Tektronix terminals was successfully generated and consists of the following special capabilities: (1) a dynamic response plot for the stresses and displacements as functions of time; and (2) a menu driven command module enabling input of data on an interactive basis. Finally, the STARS analysis capability was further improved by implementing the dynamic response analysis package that provides information on nodal deformations and element stresses as a function of time. A number of test cases were run utilizing the currently developed algorithm implemented in the STARS program and such results indicate that the newly generated solution technique is significantly more efficient than other existing similar procedures.
Vibrational spectra and structure of cyclopentane and its isotopomers.
Ocola, Esther J; Bauman, Leslie E; Laane, Jaan
2011-06-23
The infrared and Raman spectra of vapor, liquid, and solid state cyclopentane and its d(1), 1,1-d(2), 1,1,2,2,3,3-d(6), and d(10) isotopomers have been recorded and analyzed. The experimental work was complemented by ab initio and density functional theory (DFT) calculations. The computations confirm that the two conformational forms of cyclopentane are the twist (C(2)) and bent (C(s)) structures and that they differ very little in energy, less than about 10 cm(-1) (0.1 kJ/mol). The bending angle for the C(s) form is 41.5° and the dihedral angle of twisting is 43.2° for the C(2) form. A reliable and complete vibrational assignment for each of the isotopomers has been achieved for the first time, and these agree very well with the DFT (B3LYP/cc-pVTZ) computations. The ab initio CCSD/cc-pVTZ calculations predict a barrier to planarity of 1887 cm(-1), which is in excellent agreement with the experimental value of 1808 cm(-1).
Energy Technology Data Exchange (ETDEWEB)
Kessentini, A., E-mail: kessentiniabir@gmail.com [Laboratoire Physico-Chimie de l’Etat Solide, Département de Chimie, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Belhouchet, M. [Laboratoire Physico-Chimie de l’Etat Solide, Département de Chimie, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Suñol, J.J. [Departamento De Fisica, Universita de Girona, Compus Montilivi, Girona 17071 (Spain); Abid, Y. [Laboratoire de Physique appliquée, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Mhiri, T. [Laboratoire Physico-Chimie de l’Etat Solide, Département de Chimie, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia)
2014-05-01
The crystals of the family of alkylammonuim tetrachloridocuprate (II), (C{sub 5}H{sub 7}N{sub 2}){sub 2}CuCl{sub 4}H{sub 2}O, have been grown, structurally characterized and their vibrational as well as optical properties been studied. A preliminary single crystal X-ray diffraction structural analysis has revealed that the title compound belongs to the monoclinic system with space group C2/c. Its unit cell dimensions are: a=8.454 (2) Å, b=14.279 (2) Å, c=14.363 (3) Å, β=95.813 (4)°, with Z=4 and its crystal structure was determined and refined down to R{sub 1}=0.029 and wR{sub 2}=0.080. The crystal lattice is composed of discrete [CuCl{sub 4}]{sup 2−} tetrahedra surrounded by 4-aminopyridinium cations and water molecules which are interconnected by means of hydrogen bonding contacts [N–H…Cl, O–H…Cl and N–H…O]. Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed. The optimized molecular structure and the vibrational spectra were calculated by the density functional theory (DFT) method using the B3LYP function. The organic–inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C{sub 5}H{sub 7}N{sub 2}){sub 2}CuCl{sub 4}H{sub 2}O perovskite and it showed characteristic absorptions of CuCl-based layered perovskite centered at 288 and 400 nm, as well as the photoluminescence peak at around 443 nm. The unaided-eye-detectable blue luminescence emission comes from the excitonic transition in the CuCl{sub 4} anions. - Highlights: • A new hybrid compound (C{sub 5}H{sub 7}N{sub 2}){sub 2}CuCl{sub 4}H{sub 2}O was synthesized. • Vibrational properties were studied by IR and Raman spectroscopy and examined theoretically using the DFT/B3LYP/LanL2DZ level of theory. • The UV–vis spectrum shows two absorption peaks at 288 and at 400 nm. • This compound show a strong blue emission at 443 nm.
Liu, Jinxin; Chen, Xuefeng; Gao, Jiawei; Zhang, Xingwu
2016-12-01
Air vehicles, space vehicles and underwater vehicles, the cabins of which can be viewed as variable section cylindrical structures, have multiple rotational vibration sources (e.g., engines, propellers, compressors and motors), making the spectrum of noise multiple-harmonic. The suppression of such noise has been a focus of interests in the field of active vibration control (AVC). In this paper, a multiple-source multiple-harmonic (MSMH) active vibration suppression algorithm with feed-forward structure is proposed based on reference amplitude rectification and conjugate gradient method (CGM). An AVC simulation scheme called finite element model in-loop simulation (FEMILS) is also proposed for rapid algorithm verification. Numerical studies of AVC are conducted on a variable section cylindrical structure based on the proposed MSMH algorithm and FEMILS scheme. It can be seen from the numerical studies that: (1) the proposed MSMH algorithm can individually suppress each component of the multiple-harmonic noise with an unified and improved convergence rate; (2) the FEMILS scheme is convenient and straightforward for multiple-source simulations with an acceptable loop time. Moreover, the simulations have similar procedure to real-life control and can be easily extended to physical model platform.
An investigation on structural, vibrational and nonlinear optical ...
Indian Academy of Sciences (India)
The electron rich regions residing on all the oxygen atoms O1, O1W, O2, O3, and O3W represent the electronegative regions and so, these are the binding sites for electrophilic attack. The values of HOMO, LUMO and Frontier orbital energy gap are given in table 2. 3.4 Vibrational Assignments. 3.4a C-H Vibration: Generally, ...
Energy Technology Data Exchange (ETDEWEB)
Liu, G. K.; Zhuang, H.-Z.; Beitz, J. V.
2000-11-03
The lattice structure, phonon density of states, and infrared spectrum for crystalline zircon, ZrSiO{sub 4}, have been studied using a molecular dynamics (MD) simulation method that utilizes the Born-Mayer-Huggins and Coulomb pair potentials and the Stillinger-Weber three-body potential. A lattice block of ZrSiO{sub 4}, which contains 343 unit cells with dimensions of 4.6249 x 4.6249 x 4.1874 nm{sub 3} and containing 8232 ions, was considered in our calculations. The simulated lattice structure agreed with that determined from x-ray and neutron diffraction experiments. The vibrational modes and absorption spectrum were calculated based on the simulated lattice and compared with infrared absorption spectra. Characteristic lines in infrared spectra obtained from previous experiments on natural and synthetic zircon were assigned to specific bond structures by interactive MD simulations with variation of selected potential parameters. It is shown that the O-Si-O three-body correlations in the SiO{sub 4} tetrahedron significantly influence the spectrum. It is demonstrated that the oxygen ions that are parallel and perpendicular to the c-axis in the SiO{sub 4} tetrahedron are inequivalent and make different contributions to the vibration spectrum. The energy distribution among 24 atoms in a unit cell in the 1011-cm{sup {minus}1} vibrational mode is shown in Fig. 1. Comparison between the simulated infrared absorption spectrum and that from experiments on synthetic zircon is shown in Fig. 2. The interactive method of fitting simulated results to those determined from experiments may be used as a tool for studying nanostructure and thermodynamics properties of materials. The model potentials for the ZrSiO{sub 4} lattice are refined and further applied to MD simulation of lattice disordering and line broadening that are induced by radiation damage processes and amorphization. We have further simulated alpha-decay-induced damage and dynamical recovery in the lattice of Zr
Identification for Active Vibration Control of Flexible Structure Based on Prony Algorithm
Directory of Open Access Journals (Sweden)
Xianjun Sheng
2016-01-01
Full Text Available Flexible structures have been widely used in many fields due to the advantages of light quality, small damping, and strong flexibility. However, flexible structures exhibit the vibration in the process of manipulation, which reduces the pointing precision of the system and causes fatigue of the machine. So, this paper focuses on the identification method for active vibration control of flexible structure. The modal parameters and transfer function of the system are identified from the step response signal based on Prony algorithm, while the vibration is attenuated by using the input shaping technique designed according to the parameters identified from the Prony algorithm. Eventually, the proposed approach is applied to the most common flexible structure, a piezoelectric cantilever beam actuated by Macro Fiber Composite (MFC. The experimental results demonstrate that the Prony algorithm is very effective and accurate on the dynamic modeling of flexible structure and input shaper could significantly reduce the vibration and improve the response speed of system.
National Research Council Canada - National Science Library
Wang, Kon-Well
2006-01-01
The objective of this research is to advance the state of the art of vibration control of mistuned periodic structures utilizing the electromechanical coupling and damping characteristics of piezoelectric networking...
Cazzulani, Gabriele; Resta, Ferruccio; Ripamonti, Francesco
2012-04-01
Large mechanical structures are often affected by high level vibrations due to their flexibility. These vibrations can reduce the system performances and lifetime and the use of active vibration control strategies becomes very attractive. In this paper a combination of resonant control and a disturbance estimator is proposed. This solution is able to improve the system performances during the transient motion and also to reject the disturbance forces acting on the system. Both control logics are based on a modal approach, since it allows to describe the structure dynamics considering only few degrees of freedom.
VIBRATION OF FRAME BUILDING STRUCTURES CAUSED BY UNDERGROUND TRAINS
Directory of Open Access Journals (Sweden)
P. V. Аliavdin
2011-01-01
Full Text Available The paper contains investigations on element vibration of a real residential 9-storeyed reinforced-concrete frame building induced by train movement in the shallow subway. A design model for a problem on propagation of bending waves within the limits of the typical fragment of a skeleton is presented in the paper. The steady state vibrations of a column and reinforced-concrete slab induced by an excited force which is equivalent to the impact of the subway trains have been investigated in the paper. The problem has been solved numerically on the basis of the ANSYS FEA program. Numerical results have been compared with an approximate analytical solution and data on full-scale experiment. A prediction technique for vibration propagation in the designed buildings is offered in the paper.
Vibration analysis of structural elements using differential quadrature method
Directory of Open Access Journals (Sweden)
Mohamed Nassar
2013-01-01
Full Text Available The method of differential quadrature is employed to analyze the free vibration of a cracked cantilever beam resting on elastic foundation. The beam is made of a functionally graded material and rests on a Winkler–Pasternak foundation. The crack action is simulated by a line spring model. Also, the differential quadrature method with a geometric mapping are applied to study the free vibration of irregular plates. The obtained results agreed with the previous studies in the literature. Further, a parametric study is introduced to investigate the effects of geometric and elastic characteristics of the problem on the natural frequencies.
DEFF Research Database (Denmark)
Ingólfsson, Einar Thór; Georgakis, Christos; Svendsen, Martin Nymann
2008-01-01
seismic design codes of practice. A basic outline of the methodology is given, followed by a detailed examination of the bridge-specific parameters that are applied to adjust the response obtained from a universal reference design spectrum. The bridge-specific parameters take into account key variations......In this paper, details regarding and the experimental validation of the “response spectrum” methodology for the determination of vertical footbridge response are presented. The methodology is inspired by the well-established response spectrum approach used in the majority of the world’s current...... footbridge, are presented. An accurate representation of the random crowd loading during the experiments is created through video-footage and used to theoretically predict the vertical bridge response following the response spectrum methodology. The predictions verify the effectiveness of the methodology...
Vibration spectrum of a two-soliton molecule in dipolar Bose–Einstein condensates
Energy Technology Data Exchange (ETDEWEB)
Turmanov, B.Kh. [Physical–Technical Institute, Uzbek Academy of Sciences, 100084, Tashkent (Uzbekistan); Baizakov, B.B., E-mail: baizakov@uzsci.net [Physical–Technical Institute, Uzbek Academy of Sciences, 100084, Tashkent (Uzbekistan); Umarov, B.A.; Abdullaev, F.Kh. [Department of Physics, Kulliyyah of Science, International Islamic University Malaysia, 25200 Kuantan, Pahang (Malaysia)
2015-09-11
We study the vibration of soliton molecules in dipolar Bose–Einstein condensates by variational approach and numerical simulations of the nonlocal Gross–Pitaevskii equation. We employ the periodic variation of the strength of dipolar atomic interactions to excite oscillations of solitons near their equilibrium positions. When the parametric perturbation is sufficiently strong the molecule breaks up into individual solitons, like the dissociation of ordinary molecules. The waveform of the molecule and resonance frequency, predicted by the developed model, are confirmed by numerical simulations of the governing equation.
Global structural condition assessment of highway bridges by ambient vibration monitoring
Feng, Maria Q.; Chen, Yangbo; Tan, Chin-An
2005-05-01
Structural condition assessment of highway bridges has long been relying on visual inspection, which, however, involves subjective judgment of the inspector and detects only local flaws. Local flaws might not affect the global performance of the bridge. By instrumenting bridges with accelerometers and other sensors, one is able to monitor ambient or forced vibration of the bridge and assess its global structural condition. Ambient vibration measurement outwits forced vibration measurement in that it requires no special test arrangement, such as traffic control or a heavy shaker. As a result, it can be continuously executed while the bridge is under its normal serving condition. For short-to mid-span highway bridges, ambient vibration is predominantly due to traffic excitation, inducing the bridge to vibrate mainly in vertical direction. Based on its physical nature, traffic excitation is modeled as moving loads from the passing vehicles whose arrivals and speeds are extracted from digital video. Traffic-induced vibration provides valuable information for assessing the health of super-structure, but is less sensitive to possible seismic damage in the sub-structure. During earthquakes, bridges are excited in all directions by short-duration un-stationary ground motion, and are expected to better reveal their sub-structure integrity. Therefore, traffic-induced and ground-motion-induced ambient vibration data are treated separately in this paper for different assessment objectives, because of the different characteristics and measurability of the excitation. By continuously monitoring the ambient vibration of the instrumented bridge, its global structural conditions of both super- and sub-structures can be evaluated with possible damage locations identified, which will aid local non-destructive evaluation or visual inspection to further localize and access the damage.
A fractional-order controller for vibration suppression of uncertain structures.
Aghababa, Mohammad Pourmahmood
2013-11-01
The problem of active control of vibration structures has attracted much attention over the past decades. A general description of the control problem of vibration systems is to design an active controller to suppress the vibrations of the system induced by external disturbances such as an earthquake. In this paper, a novel fractional-order sliding mode control is introduced to attenuate the vibrations of structures with uncertainties and disturbances. After establishing a stable fractional sliding surface, a sliding mode control law is proposed. Then, the global asymptotic stability of the closed-loop system is analytically proved using fractional Lyapunov stability theorem. Finally, the robustness and applicability of the technique are verified using two examples, including a three degree of freedom structure and a two-story shear building. Copyright © 2013 ISA. Published by Elsevier Ltd. All rights reserved.
Influence of Structural Periodicity on Vibration Transmission in a Multi-Storey Wooden Building
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard
2013-01-01
Noise is a nuisance to people, and buildings should therefore be designed to prevent propagation of sound and vibration in the audible frequency range as well as the range of frequencies relevant to whole-body vibrations of humans. In heavy structures made of concrete and masonry, a source...... with high energy content is required to mobilise the inertia. However, for lightweight building structures made of wood, less energy is required to produce vibrations since the mass is smaller. This leads to a high risk of sound and vibration propagation in terms of direct as well as flanking transmission...... is known to result in pass bands and stop bands regarding wave propagation. The paper focuses on analysing and quantifying the effects that a change in the structure, especially regarding the periodicity, has on the overall dynamic performance in the low to mid frequency range up to 250 Hz. The analysis...
Structural, vibrational, NMR, quantum chemical, DNA binding and ...
Indian Academy of Sciences (India)
Smith B C 1996 In Infrared Spectral Interpretation. (Boca Raton, FL: CRC Press). 31. Green J H S, Harrison D J and Kynaston W 1971. Spectrochim. Acta A 27 2199. 32. Varsanyi G 1974 In Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives. Vols. 1 and 2. (Budapest: Adam Hilger). 33. Lutz E T G ...
Effect of curvature on structures and vibrations of zigzag carbon ...
Indian Academy of Sciences (India)
Wintec
By determining the correlation between vibrational modes of a graphene sheet and ... graphene lattice. Thus, each SWCNT is uniquely labeled with a pair of integers (n, m) describing its chirality. (n, n) CNTs are called as 'armchair' nanotubes and (n, 0). CNTs are ... semiconductor transitions can be induced more readily in.
Coupled thermal, structural and vibrational analysis of a hypersonic engine for flight test
Energy Technology Data Exchange (ETDEWEB)
Sook-Ying, Ho [Defence Science and Technology Organisation, SA (Australia); Paull, A. [Queensland Univ., Dept. of Mechanical Engineering (Australia)
2006-07-15
This paper describes a relatively simple and quick method for implementing aerodynamic heating models into a finite element code for non-linear transient thermal-structural and thermal-structural-vibrational analyses of a Mach 10 generic HyShot scram-jet engine. The thermal-structural-vibrational response of the engine was studied for the descent trajectory from 60 to 26 km. Aerodynamic heating fluxes, as a function of spatial position and time for varying trajectory points, were implemented in the transient heat analysis. Additionally, the combined effect of varying dynamic pressure and thermal loads with altitude was considered. This aero-thermal-structural analysis capability was used to assess the temperature distribution, engine geometry distortion and yielding of the structural material due to aerodynamic heating during the descent trajectory, and for optimising the wall thickness, nose radius of leading edge, etc. of the engine intake. A structural vibration analysis was also performed following the aero-thermal-structural analysis to determine the changes in natural frequencies of the structural vibration modes that occur at the various temperatures associated with the descent trajectory. This analysis provides a unique and relatively simple design strategy for predicting and mitigating the thermal-structural-vibrational response of hypersonic engines. (authors)
Effect of nonlinearity of connecting dampers on vibration control of connected building structures
Directory of Open Access Journals (Sweden)
Masatoshi eKasagi
2016-01-01
Full Text Available The connection of two building structures with dampers is one of effective vibration control systems. In this vibration control system, both buildings have to possess different vibration properties in order to provide a higher vibration reduction performance. In addition to such condition of different vibration properties of both buildings, the connecting dampers also play an important role in the vibration control mechanism. In this paper, the effect of nonlinearity of connecting dampers on the vibration control of connected building structures is investigated in detail. A high-damping rubber damper and an oil damper with and without relief mechanism are treated. It is shown that, while the high-damping rubber damper is effective in a rather small deformation level, the linear oil damper is effective in a relatively large deformation level. It is further shown that, while the oil dampers reduce the response in the same phase as the case without dampers, the high-damping rubber dampers change the phase. The merit is that the high-damping rubber can reduce the damper deformation and keep the sufficient space between both buildings. This can mitigate the risk of building pounding.
Optimization procedure to control the coupling of vibration modes in flexible space structures
Walsh, Joanne L.
1987-01-01
As spacecraft structural concepts increase in size and flexibility, the vibration frequencies become more closely-spaced. The identification and control of such closely-spaced frequencies present a significant challenge. To validate system identification and control methods prior to actual flight, simpler space structures will be flown. To challenge the above technologies, it will be necessary to design these structures with closely-spaced or coupled vibration modes. Thus, there exists a need to develop a systematic method to design a structure which has closely-spaced vibration frequencies. This paper describes an optimization procedure which is used to design a large flexible structure to have closely-spaced vibration frequencies. The procedure uses a general-purpose finite element analysis program for the vibration and sensitivity analyses and a general-purpose optimization program. Results are presented from two studies. The first study uses a detailed model of a large flexible structure to design a structure with one pair of closely-spaced frequencies. The second study uses a simple equivalent beam model of a large flexible structure to obtain a design with two pairs of closely-spaced frequencies.
Wang, Jie; Paszti, Zoltan; Clarke, Matthew L; Chen, Xiaoyun; Chen, Zhan
2007-05-31
We demonstrate both theoretically and experimentally that the combination of vibrational spectroscopic techniques on samples can be used to deduce more detailed structural information of interfacial proteins and peptides. Such an approach can be used to elucidate structures of proteins or peptides at interfaces, such as at the solid/liquid interface or in cell membranes. We also discuss that the controlled perturbations may provide more measured parameters for structural studies on such proteins and peptides. In this paper, we will demonstrate that optical spectroscopic techniques such as polarized Fourier transform infrared spectroscopy (FTIR), sum frequency generation (SFG) vibrational spectroscopy, and higher order nonlinear vibrational spectroscopies can be used to deduce different and complementary structural information of molecules at interfaces (e.g., orientation information of certain functional groups and secondary structures of interfacial proteins). Also, we believe that controlled perturbations on samples, such as variation of sample temperature, application of electrical fields, and alternation of substrate roughness, can provide more detailed information regarding the interfacial structures of proteins and peptides. The development of nonlinear vibrational spectroscopies, such as SFG and four-wave mixing vibrational spectroscopy, to examine interfacial protein and peptide structures, and introduction of external perturbations on samples should be able to substantially advance our knowledge in understanding structures and thus functions of proteins and peptides at interfaces.
Steinchen, Wolfgang; Gan, Ymin; Kupfer, Gerhard; Maeckel, Peter
2003-05-01
University of Kassel and isi-sys have extended the application of shearography to quantitative vibration analysis and developed a portable automatic controlled shearography system. The Vibrograph is already used for vibration measurements in industry for example of electronic boards typically in combination with laboratory shakers in harmonic excitation modes. Now a small portable piezo shaker permits local excitation of the defects such as delaminations and disbonds. Vibrating in their natural mode shapes the Vibrograph detects the location of the defects within the fiber structure.
Simulation of Heat Generating In a Vibrating Structure Using COMSOL Multiphysics
Directory of Open Access Journals (Sweden)
Ali Kamil Jebur
2016-03-01
Full Text Available This paper dealt with heat generating in a beam structure model subjected to small vibrations to know the viscos elastic behavior under heat and vibration. The model first computed coupled thermal – structural interaction. The results obtained from this analysis of the model treated by the finite element method to calculate amount of heat generation in the material. A transient heat transfer analysis then simulated the slow rising temperature in the beam using these heat source terms. The model has been constructed from two blocks, the first block from Aluminum while the second block made from β –Titanium. The model was constrained from one side, while the other side free, so vibrations that occur along the model. These vibrations led to heat generating, so yields that residual stresses through the model. The result obtained represented in curves which give good agreement with international published researches
Vibration test on KMRR reactor structure and primary cooling system piping
Energy Technology Data Exchange (ETDEWEB)
Chung, Seung Hoh; Kim, Tae Ryong; Park, Jin Hoh; Park, Jin Suk; Ryoo, Jung Soo [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)
1994-10-01
Most equipments, piping systems and reactor structures in nuclear power plants are subjected to flow induced vibration due to high temperature and high pressure coolant flowing inside or outside of the equipments, systems and structures. Because the flow induced vibration sometimes causes significant damage to reactor structures and piping systems, it is important and necessary to evaluate the vibration effect on them and to prove their structural integrity. Korea Multipurpose Research Reactor (KMRR) being constructed by KAERI is 30 MWt pool type research reactor. Since its main structures and piping systems were designed and manufactured in accordance with the standards and guidelines for commercial nuclear power plant, it was decided to evaluate their vibratory response in accordance with the standards and guidelines for commercial NPP. The objective of this vibration test is the assessment of vibration levels of KMRR reactor structure and primary cooling piping system for their structural integrity under the steady-state or transient operating condition. 38 figs, 14 tabs, 2 refs. (Author).
Loendersloot, Richard; Ooijevaar, T.H.; Warnet, Laurent; Akkerman, Remko; de Boer, Andries; Meguid, S.A.; Gomes, J.F.S.
2009-01-01
The feasibility of a vibration based damage identification method is investigated. The Modal Strain Energy method is applied to a T–beam structure. The dynamic response of an intact structure and a damaged, delaminated structure is analysed employing a commercially available Finite Element package.
Vibrations in a Multi-Storey Lightweight Building Structure
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Kirkegaard, Poul Henning
2013-01-01
This paper provides a quantification of the changes in vibration level that can be expected in a lightweight multi-storey wooden building due to reduced connection stiffness or added nonstructural mass. Firstly, the impact of changes in the floor-to-wall connections is examined. Secondly, a study...... is performed regarding variations of the vibration level due to different placements of nonstructural mass inside the building. The analyses are carried out by means of a modular three-dimensional finite-element model. Each floor and wall panel is modelled in high detail, including door and window openings....... By a substructure approach, the panels are assembled to construct a global building model that allows analysis within a reasonable computation time....
Surface vibrational and structural properties of polymers by HREELS
Pireaux, J. J.; Gregoire, C.; Vermeersch, M.; Thiry, P. A.; Caudano, R.
1987-10-01
The extremely promising applications of electron induced vibrational spectroscopy to study the surfaces of polymers and other organic materials are reviewed. It is demonstrated that this technique, which is known as HREELS: high-resolution electron-energy loss spectroscopy, is selectively surface sensitive: information on both the composition and morphology of the polymer surfaces is obtained. However, a quantitative interpretation of the data is not straightforward, as the exact interaction mechanism(s) between the probing electron and the molecular vibrations are not yet ascertained. One of the many illustrations given is the study of the incipient interface formation between a clean cured polyimide film and deposited aluminum which will demonstrate the specific completeness and capabilities of HREELS.
Sohn, Jung Woo; Jeon, Juncheol; Choi, Seung-Bok
2014-10-01
Vibration control performance of the ring-stiffened cylindrical shell structure is experimentally evaluated in this work. In order to achieve high control performance, advanced flexible piezoelectric actuator whose commercial name is Macro-Fiber Composite (MFC) is adapted to the shell structure. Governing equation is derived by finite element method and dynamic characteristics are investigated from the modal analysis results. Ring-stiffened cylindrical shell structure is then manufactured and modal test is conducted to verify modal analysis results. An optimal controller is designed and experimentally realized to the proposed shell structure system. Vibration control performance is experimentally evaluated in time domain and verified by simulated control results.
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.
Fuzzy Semiactive Vibration Control of Structures Using Magnetorheological Elastomer
Directory of Open Access Journals (Sweden)
Xuan Bao Nguyen
2017-01-01
Full Text Available In this research, a novel variable stiffness vibration isolator that uses magnetorheological elastomers (MREs accompanied with a fuzzy semiactive vibration control was developed. Firstly, the viscoelastic characteristics of MREs in shear mode were clarified systematically in order to achieve a mathematical basis for the controller development. Secondly, the fuzzy semiactive vibration control with a strategy based on the Lyapunov theory and dynamic characteristic of MREs was proposed for minimizing the movement of the isolator. In the conventional semiactive algorithm, the command applied current of MRE-based isolator is set at either minimum or maximum value which causes high acceleration and jerk peaks periodically, thus leading to the degeneration of the overall system quality. However, the fuzzy semiactive algorithm presented here is able to produce the sufficient applied current and thus viscoelastic force is desirably produced. The effectiveness of the developed isolator was evaluated numerically by MATLAB simulation and experimentally in comparison with the performances of a passive system and a system with on-off type semiactive controller. The results showed that the developed controller was successful in overcoming the disadvantages of conventional on-off semiactive control.
Zhang, Yulong; Wang, Tianyang; Zhang, Ai; Peng, Zhuoteng; Luo, Dan; Chen, Rui; Wang, Fei
2016-12-01
In this paper, we present design and test of a broadband electrostatic energy harvester with a dual resonant structure, which consists of two cantilever-mass subsystems each with a mass attached at the free edge of a cantilever. Comparing to traditional devices with single resonant frequency, the proposed device with dual resonant structure can resonate at two frequencies. Furthermore, when one of the cantilever-masses is oscillating at resonance, the vibration amplitude is large enough to make it collide with the other mass, which provides strong mechanical coupling between the two subsystems. Therefore, this device can harvest a decent power output from vibration sources at a broad frequency range. During the measurement, continuous power output up to 6.2-9.8 μW can be achieved under external vibration amplitude of 9.3 m/s2 at a frequency range from 36.3 Hz to 48.3 Hz, which means the bandwidth of the device is about 30% of the central frequency. The broad bandwidth of the device provides a promising application for energy harvesting from the scenarios with random vibration sources. The experimental results indicate that with the dual resonant structure, the vibration-to-electricity energy conversion efficiency can be improved by 97% when an external random vibration with a low frequency filter is applied.
National Research Council Canada - National Science Library
M. Podworna; M. Klasztorny
2014-01-01
...) bridge/track structure/high-speed train system (BTT), developed in Part 2, advanced computer algorithms for the BTT numerical modelling and simulation as well as a computer programme to simulate vertical vibrations of BTT systems are developed...
High-resolution infrared spectrum of triacetylene: The ν5 state revisited and new vibrational states
Doney, K. D.; Zhao, D.; Linnartz, H.
2015-10-01
New data are presented that follow from a high-resolution survey, from 3302 to 3352 cm-1, through expanding acetylene plasma, and covering the Csbnd H asymmetric (ν5) fundamental band of triacetylene (HC6H). Absorption signals are recorded using continuous wave cavity ring-down spectroscopy (cw-CRDS). A detailed analysis of the resulting spectra allows revisiting the molecular parameters of the ν5 fundamental band in terms of interactions with a perturbing state, which is observed for the first time. Moreover, four fully resolved hot bands (501 1011, 501 1111, 501 1311, and 101 801 1110), with band origins at 3328.5829(2), 3328.9994(2), 3328.2137(2) and 3310.8104(2) cm-1, respectively, are reported for the first time. These involve low lying bending vibrations that have been studied previously, which guarantees unambiguous identifications. Combining available data allows to derive accurate molecular parameters, both for the ground state as well as the excited states involved in the bands.
Energy Technology Data Exchange (ETDEWEB)
Johnson, Timothy J.; Sams, Robert L.; Profeta, Luisa T.; Akagi, Sheryl; Burling, Ian R.; Yokelson, Robert J.; Williams, Stephen D.
2013-04-15
Glycolaldehyde (GA, 2-hydroxyethanal, C2H4O2) is a semi-volatile molecule of atmospheric importance, recently proposed as a precursor in the formation of aqueous-phase secondary organic aerosol (SOA). There are few methods to measure glycolaldehyde vapor, but infrared spectroscopy has been used successfully. Using vetted protocols we have completed the first assignment of all fundamental vibrational modes and derived quantitative IR absorption band strengths using both neat and pressure-broadened GA vapor. Even though GA is problematic due to its propensity to both dimerize and condense, our intensities agree well with the few previously published values. Using the reference ν10 band Q-branch at 860.51 cm-1, we have also determined GA mixing ratios in biomass burning plumes generated by field and laboratory burns of fuels from the southeastern and southwestern United States, including the first field measurements of glycolaldehyde in smoke. The GA emission factors were anti-correlated with modified combustion efficiency confirming release of GA from smoldering combustion. The GA emission factors (g of GA emitted per kg dry biomass burned on a dry mass basis) had a low dependence on fuel type consistent with the production mechanism being pyrolysis of cellulose. GA was emitted at 0.23 ± 0.13% of CO from field fires and we calculate that it accounts for ~18% of the aqueous-phase SOA precursors that we were able to measure.
Dual resonant structure for energy harvesting from random vibration sources at low frequency
Directory of Open Access Journals (Sweden)
Shanshan Li
2016-01-01
Full Text Available We introduce a design with dual resonant structure which can harvest energy from random vibration sources at low frequency range. The dual resonant structure consists of two spring-mass subsystems with different frequency responses, which exhibit strong coupling and broad bandwidth when the two masses collide with each other. Experiments with piezoelectric elements show that the energy harvesting device with dual resonant structure can generate higher power output than the sum of the two separate devices from random vibration sources.
Component mode synthesis and large deflection vibrations of complex structures. [beams and trusses
Mei, C.
1984-01-01
The accuracy of the NASTRAN modal synthesis analysis was assessed by comparing it with full structure NASTRAN and nine other modal synthesis results using a nine-bay truss. A NASTRAN component mode transient response analysis was also performed on the free-free truss structure. A finite element method was developed for nonlinear vibration of beam structures subjected to harmonic excitation. Longitudinal deformation and inertia are both included in the formula. Tables show the finite element free vibration results with and without considering the effects of longitudinal deformation and inertia as well as the frequency ratios for a simply supported and a clamped beam subjected to a uniform harmonic force.
Nicu, Valentin P; Domingos, Sérgio R; Strudwick, Benjamin H; Brouwer, Albert M; Buma, Wybren J
2016-01-11
A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low-energy conformers of dehydroquinidine reveals the existence of families of pseudo-conformers, the structures of which differ mostly in the orientation of a single O-H bond. The pseudo-conformers in a family are separated by very small energy barriers (i.e., 1.0 kcal mol(-1) or smaller) and have very different VCD spectra. First, we demonstrate the unreliable character of the Boltzmann factors predicted with DFT. Then, we show that the large differences observed between the VCD spectra of the pseudo-conformers in a family are caused by large-amplitude motions involving the O-H bond, which trigger the appearance/disappearance of strong VCD exciton-coupling bands in the fingerprint region. This interplay between exciton coupling and large-amplitude-motion phenomena demonstrates that when dealing with flexible molecules with polar bonds, vibrational averaging of VCD spectra should not be neglected. In this regard, the dehydroquinidine molecule considered here is expected to be a typical example and not the exception to the rule. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
DEFF Research Database (Denmark)
Pawlowski, F; Jorgensen, P; Olsen, Jeppe
2002-01-01
A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...
Transverse Resonant Vibration of Non-Bearing Structures Caused by Wind
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
Zhang, Z.; Piatkowski, L.; Bakker, H.J.; Bonn, M.
2011-01-01
Knowledge of the interfacial water structure is essential for a basic understanding of the many environmental, technological, and biophysical systems in which aqueous interfaces appear. Using ultrafast two-dimensional surface-specific vibrational spectroscopy we show that the structure of heavy
Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures
DEFF Research Database (Denmark)
Jensen, Jakob Søndergaard
2003-01-01
The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous dampin...
Brian K. Brashaw; Robert Vatalaro; Xiping Wang; Kevin Sarvela; James P. Wacker
2008-01-01
Approximately 4,000 vehicle bridges in the State of Minnesota contain structural timber members. Recent research at the University of Minnesota Duluth Natural Resources Research Institute (UMD NRRI) has been conducted on vibration testing of timber bridges as a means of developing rapid in-place testing techniques for assessing the structural health of bridges. The...
Structural dynamics in complex liquids studied with multidimensional vibrational spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Tokmakoff, Andrei [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
2013-08-31
The development of new sustainable energy sources is linked to our understanding of the molecular properties of water and aqueous solutions. Energy conversion, storage, and transduction processes, particularly those that occur in biology, fuel cells, and batteries, make use of water for the purpose of moving energy in the form of charges and mediating the redox chemistry that allows this energy to be stored as and released from chemical bonds. To build our fundamental knowledge in this area, this project supports work in the Tokmakoff group to investigate the molecular dynamics of water’s hydrogen bond network, and how these dynamics influence its solutes and the mechanism of proton transport in water. To reach the goals of this grant, we developed experiments to observe molecular dynamics in water as directly as possible, using ultrafast multidimensional vibrational spectroscopy. We excite and probe broad vibrational resonances of water, molecular solutes, and protons in water. By correlating how molecules evolve from an initial excitation frequency to a final frequency, we can describe the underlying molecular dynamics. Theoretical modeling of the data with the help of computational spectroscopy coupled with molecular dynamics simulations provided the atomistic insight in these studies.
DFT study of the molecular and crystal structure and vibrational analysis of cisplatin
Georgieva, I.; Trendafilova, N.; Dodoff, N.; Kovacheva, D.
2017-04-01
DFT and periodic-DFT (PAW-PBE method, code VASP) calculations have been performed to study the structural and vibrational characteristics of cis-diamminedichloroplatinum(II) (cisplatin) at molecular and outside molecular level. To estimate the effect of the intermolecular interactions in crystal on the structural and vibrational properties of cisplatin, three theoretical models are considered in the present study: monomer (isolated molecule), hydrogen bonded dimer and periodic solid state structures. The work focused on the role of the theoretical models for correct modeling and prediction of geometrical and vibrational parameters of cisplatin. It has been found that the elaborate three-dimensional intermolecular hydrogen bonding network in the crystalline cisplatin significantly influences the structural and vibrational pattern of cisplatin and therefore the isolated cisplatin molecule is not the correct computational model regardless of the theoretical level used. To account for the whole intermolecular hydrogen bonding network in direction of both a and c axis and for more reliable calculations of structural and vibrational parameters periodic DFT calculations were carried out in the full crystalline periodic environment with the known lattice parameters for each cisplatin polymorph phase. The model calculations performed both at molecular level and for the periodic structures of alpha and beta cisplatin polymorph forms revealed the decisive role of the extended theoretical model for reliable prediction of the structural and vibrational characteristics of cisplatin. The powder diffraction pattern and the calculated IR and Raman spectra predicted beta polymorph form of our cisplatin sample freshly synthesized for the purposes of the present study using the Dhara's method. The various rotamers realized in the polymorph forms of cisplatin were explained by the low population of the large number of rotamers in solution as well as with the high rotamer
A unified solution for vibration analysis of plates with general structural stress distributions
Directory of Open Access Journals (Sweden)
Nian Yang
2016-11-01
Full Text Available Complex stress distributions often exist in ocean engineering structures. This stress influences structural vibrations. Finite Element Methods exhibit some shortcomings for solving non-uniform stress problems, such as an unclear physical interpretation, complicated operation, and large number of computations. Analytical methods research considers mainly uniform stress problems, and often, their methods cannot be applied in practical marine structures with non-uniform stress. In this paper, an analytical method is proposed to solve the vibration of plates with general stress distributions. Non-uniform stress is expressed as a special series, and the stress influence is inserted into a vibration equation that is solved through decoupling to obtain an analytical solution. This method has been verified using numerical examples and can be used in arbitrary stress distribution cases. This method requires fewer computations and it provides a clearer physical interpretation, so it has advantages in some qualitative research.
DEFF Research Database (Denmark)
Høgfeldt Hansen, Leif
2016-01-01
The publication functions as a proces description of the development and construction of an urban furniture SPECTRUM in the city of Gwangju, Republic of Korea. It is used as the cataloque for the exhibition of Spectrum.......The publication functions as a proces description of the development and construction of an urban furniture SPECTRUM in the city of Gwangju, Republic of Korea. It is used as the cataloque for the exhibition of Spectrum....
Reduction of Structural Vibrations by Passive and Semiactively Controlled Friction Dampers
Directory of Open Access Journals (Sweden)
L. Gaul
2014-01-01
Full Text Available Reduction of structural vibrations is of major interest in mechanical engineering for lowering sound emission of vibrating structures, improving accuracy of machines, and increasing structure durability. Besides optimization of the mechanical design or various types of passive damping treatments, active structural vibration control concepts are efficient means to reduce unwanted vibrations. In this contribution, two different semiactive control concepts for vibration reduction are proposed that adapt to the normal force of attached friction dampers. Thereby, semiactive control concepts generally possess the advantage over active control in that the closed loop is intrinsically stable and that less energy is required for the actuation than in active control. In the chosen experimental implementation, a piezoelectric stack actuator is used to apply adjustable normal forces between a structure and an attached friction damper. Simulation and experimental results of a benchmark structure with passive and semiactively controlled friction dampers are compared for stationary narrowband excitation. For simulations of the control performance, transient simulations must be employed to predict the achieved vibration damping. It is well known that transient simulation of systems with friction and normal contact requires excessive computational power due to the nonlinear constitutive laws and the high contact stiffnesses involved. However, commercial finite-element codes do not allow simulating feedback control in a general way. As a remedy, a special simulation framework is developed which allows efficiently modeling interfaces with friction and normal contact by appropriate constitutive laws which are implemented by contact elements in a finite-element model. Furthermore, special model reduction techniques using a substructuring approach are employed for faster simulation.
Development of a unified numerical procedure for free vibration analysis of structures
Gupta, K. K.
1981-01-01
This paper presents the details of a unified numerical algorithm and the associated computer program developed for the efficient determination of natural frequencies and modes of free vibration of structures. Both spinning and nonspinning structures with or without viscous and/or structural damping may be solved by the current procedure; in addition, the program is capable of solving static problems with multiple load cases as well as the quadratic matrix eigenproblem associated with a finite dynamic element structural discretization.
Directory of Open Access Journals (Sweden)
Daniel A. Castello
2005-01-01
Full Text Available The present work is aimed at assessing the performance of adaptive Finite Impulse Response (FIR filters on the identification of vibrating structures. Four adaptive algorithms were used: Least Mean Squares (LMS, Normalized Least Mean Squares (NLMS, Transform-Domain Least Mean Squares (TD – LMS and Set-Membership Binormalized Data-Reusing LMS Algorithm (SM – BNDRLMS. The capability of these filters to perform the identification of vibrating structures is shown on real experiments. The first experiment consists of an aluminum cantilever beam containing piezoelectric sensors and actuators and the second one is a steel pinned-pinned beam instrumented with accelerometers and an electromechanical shaker.
Latha, B.; Gunasekaran, S.; Srinivasan, S.; Ramkumaar, G. R.
2014-11-01
The solid phase FTIR and FT-Raman spectra of Losartan have been recorded in the region 400-4000 cm-1. The spectra were interpreted in terms of fundamental modes, combination and overtone bands. The structure of the molecule was optimized and the structural characteristics were determined by Quantum chemical methods. The vibrational frequencies yield good agreement between observed and calculated values. The infrared and Raman spectra were also predicted from the calculated intensities. (1)H and (13)C NMR spectra were recorded and resonance chemical shifts of the molecule were calculated. UV-Visible spectrum of the compound was recorded in the region 200-600 nm and the electronic properties HOMO and LUMO energies calculated by TD-HF approach. NBO atomic charges of the molecules and second order perturbation theory analysis of Fock matrix also calculated and interpreted. The geometrical parameters, energies, harmonic vibrational frequencies, IR intensities, Raman intensities, and absorption wavelengths were compared with experimental and theoretical data of the molecule.
Adhikary, Ramkrishna; Zimmermann, Jörg; Romesberg, Floyd E
2017-02-08
Vibrational spectroscopy provides a direct route to the physicochemical characterization of molecules. While both IR and Raman spectroscopy have been used for decades to provide detailed characterizations of small molecules, similar studies with proteins are largely precluded due to spectral congestion. However, the vibrational spectra of proteins do include a "transparent window", between ∼1800 and ∼2500 cm-1, and progress is now being made to develop site-specifically incorporated carbon-deuterium (C-D), cyano (CN), thiocyanate (SCN), and azide (N3) "transparent window vibrational probes" that absorb within this window and report on their environment to facilitate the characterization of proteins with small molecule-like detail. This Review opens with a brief discussion of the advantages and limitations of conventional vibrational spectroscopy and then discusses the strengths and weaknesses of the different transparent window vibrational probes, methods by which they may be site-specifically incorporated into peptides and proteins, and the physicochemical properties they may be used to study, including electrostatics, stability and folding, hydrogen bonding, protonation, solvation, dynamics, and interactions with inhibitors. The use of the probes to vibrationally image proteins and other biomolecules within cells is also discussed. We then present four case studies, focused on ketosteroid isomerase, the SH3 domain, dihydrofolate reductase, and cytochrome c, where the transparent window vibrational probes have already been used to elucidate important aspects of protein structure and function. The Review concludes by highlighting the current challenges and future potential of using transparent window vibrational probes to understand the evolution and function of proteins and other biomolecules.
Active Vibration Control of a Monopile Offshore Structure
DEFF Research Database (Denmark)
Nielsen, Søren R. K.; Kirkegaard, Poul Henning; Thesbjerg, L.
1996-01-01
coefficient should be obtained in order to have a relatively small excitation on the cylinder. The drag coefficient can be controlled if the separation points of the boundary layers can be controlled. It is proposed to control the separation points by blowing compressed air out of the holes in the cylinder....... If the natura1 separation points of the boundary layers are rejected by blowing air out of the holes the drag coefficient will increase while it will decrease if it is possible to attach the boundary layer. The results from the experimental test have shown that it is possible to increase the drag coefficient...... with a factor 1.5-2 by blowing air out of the holes in a cylinder vibrating in a stationary water flow....
Gunasekaran, Sethu; Rajalakshmi, K.; Kumaresan, Subramanian
2013-08-01
The Fourier transform (FT-IR) spectrum of Levofloxacin was recorded in the region 4000-400 cm-1 and a complete vibrational assignment of fundamental vibrational modes of the molecule was carried out using density functional method. The observed fundamental modes have been compared with the harmonic vibrational frequencies computed using DFT (B3LYP) method by employing 6-31 G (d, p) basis sets. The most stable geometry of the molecule under investigation has been determined from the potential energy scan. The first-order hyperpolarizability (βo) and other related properties (μ, αo) of Levofloxacin are calculated using density functional theory (DFT) on a finite field approach. UV-vis spectrum of the molecule was recorded and the electronic properties, such as HOMO and LUMO energies were performed by DFT using 6-31 G (d, p) basis sets. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital analysis (NBO). The calculated HOMO and LUMO energies show that, the charge transfer occurs within the molecule. The other molecular properties like molecular electrostatic potential (MESP), Mulliken population analysis and thermodynamic properties of the title molecule have been calculated.
Strength and Dislocation Structure Evolution of Small Metals under Vibrations
Ngan, Alfonso
2015-03-01
It is well-known that ultrasonic vibration can soften metals, and this phenomenon has been widely exploited in industrial applications concerning metal forming and bonding. In this work, we explore the effects of a superimposed small oscillatory load on metal plasticity, from the nano- to macro-size range, and from audible to ultrasonic frequency ranges. Macroscopic and nano-indentation were performed on aluminum, copper and molybdenum, and the results show that the simultaneous application of oscillatory stresses can lower the hardness of these samples. More interestingly, EBSD and TEM observations show that subgrain formation and reduction in dislocation density generally occurred when stress oscillations were applied. These findings point to an important knowledge gap in metal plasticity - the existing understanding of ultrasound softening in terms of the vibrations either imposing additional stress waves to augment the quasi-static applied load, or heating up the metal, whereas the metal's intrinsic deformation resistance or dislocation interactive processes are assumed unaltered by the ultrasound, is proven wrong by the present results. Furthermore, in the case of nanoindentation, the Continuous Stiffness Measurement technique for contact stiffness measurement assumes that the imposed signal-carrier oscillations do not intrinsically alter the material properties of the specimen, and again, the present results prove that this can be wrong. To understand the enhanced subgrain formation and dislocation annihilation, Discrete Dislocation Dynamics (DDD) simulations were carried out and these show that when an oscillatory stress is superimposed on a quasi-static applied stress, reversals of motion of dislocations may occur, and these allow the dislocations to revisit repeatedly suitable configurations for annihilation. DDD, however, was unable to predict the observed subgrain formation presumably because the number of dislocations that can be handled is not large
Vibration Analysis and Design of a Structure Subjected to Human Walking Excitations
Directory of Open Access Journals (Sweden)
M. Setareh
2010-01-01
Full Text Available Annoying building floor vibrations have become a serious serviceability issue. This is mainly due to decrease in the system mass resulting from the use of higher strength materials; use of computer-assisted design and the Load and Resistance Factor Design Method to optimize the structure based on the strength requirements; fewer partitions and more innovative designs by architects achieving long, column free spans resulting in a reduction in the natural frequency and damping. This paper provides details of the vibration analysis and design of a novel office building. Three-dimensional computer models of the structure were created and various modifications were made to the original structure, designed based on static loads, to reduce the possible excessive floor vibrations when subjected to walking excitations. Tuned mass dampers were also designed as a back-up vibration control system. A series of dynamic tests were conducted on the building floor to identify the dynamic properties of the structure and these were then used to update the original computer model. Finally, various forcing functions representing human walks and the updated computer model of the structure were used to evaluate the accuracy of the walking excitation force models to predict the structural response. Conclusions are made on the validity of each forcing function studied here.
The absorption spectrum of D2O in the region of 0.97 μm: the 3ν1 + ν3 vibrational-rotational band
Serdyukov, V. I.; Sinitsa, L. N.
2017-08-01
The vibrational-rotational absorption spectrum of D2O in the range from 10 120 to 10 450 cm-1 is recorded on a Fourier transform spectrometer with a resolution of 0.05 cm-1. The measurements were performed using a multipass White cell with an optical path length of 24 m. A light-emitting diode with brightness higher than that of other devices was used as a radiation source. The signal-to-noise ratio was about 104. The spectrum is interpreted as consisting of lines of more than 400 transitions. The spectral characteristics of lines (centers, intensities, and half widths) are determined by fitting the Voigt profile parameters to experimental data by the least-squares method. The intensities of lines and the experimental rotational energy levels of the (301) vibrational state of the D2 16O molecule with high rotational quantum numbers are determined for the first time.
Cartmell, Matthew P.
2016-09-01
The Editor wishes to make the reader aware that the paper "A new method for predicting nonlinear structural vibrations induced by ground impact loading" by Jun Liu, Yu Zhang, Bin Yun, Journal of Sound and Vibration, 331 (2012) 2129-2140, did not contain a direct citation of the fundamental and original work in this field by Dr. Mark Svinkin. The Editor regrets that this omission was not noted at the time that the above paper was accepted and published.
The structure of filled skutterudites and the local vibration behavior of the filling atom
Zhou, Xiaojuan; Zong, Peng-an; Chen, Xihong; Tao, Juzhou; Lin, He
2017-02-01
Both of atomic pair distribution function (PDF) and extended x-ray absorption fine structure (EXAFS) experiments have been carried out on unfilled and Yb-filled skutterudites YbxCo4Sb12 (x=0, 0.15, 0.2 and 0.25) samples. The structure refinements on PDF data confirm the large amplitude vibration of Yb atom and the dependence of Yb vibration amplitude on the filling content. Temperature dependent EXAFS experiment on filled skutterudites have been carried out at Yb LⅢ-edge in order to explore the local vibration behavior of filled atom. EXAFS experiments show that the Einstein temperature of the filled atom is very low (70.9 K) which agrees with the rattling behavior.
The structure of filled skutterudites and the local vibration behavior of the filling atom
Energy Technology Data Exchange (ETDEWEB)
Zhou, Xiaojuan [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Dongguan Institute of Neutron Science, Dongguan 523808 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zong, Peng-an [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Chen, Xihong [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Tao, Juzhou, E-mail: taoj@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Dongguan Institute of Neutron Science, Dongguan 523808 (China); Lin, He, E-mail: linhe@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Science, Shanghai 201204 (China)
2017-02-15
Both of atomic pair distribution function (PDF) and extended x-ray absorption fine structure (EXAFS) experiments have been carried out on unfilled and Yb-filled skutterudites Yb{sub x}Co{sub 4}Sb{sub 12} (x=0, 0.15, 0.2 and 0.25) samples. The structure refinements on PDF data confirm the large amplitude vibration of Yb atom and the dependence of Yb vibration amplitude on the filling content. Temperature dependent EXAFS experiment on filled skutterudites have been carried out at Yb L{sub Ⅲ}-edge in order to explore the local vibration behavior of filled atom. EXAFS experiments show that the Einstein temperature of the filled atom is very low (70.9 K) which agrees with the rattling behavior.
Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik
2011-04-01
All 18 bound pure vibrational levels of the HD molecule have been calculated within the framework that does not assume the Born-Oppenheimer (BO) approximation. The nonrelativistic energies of the states have been corrected for the relativistic effects of the order of α2 (where α is the fine structure constant), calculated using the perturbation theory with the nonrelativistic non-BO wave functions being the zero-order approximation. The calculations were performed by expanding the non-BO wave functions in terms of one-center explicitly correlated Gaussian functions multiplied by even powers of the internuclear distance and by performing extensive optimization of the Gaussian nonlinear parameters. Up to 10 000 basis functions were used for each state.
Directory of Open Access Journals (Sweden)
Minh-Nghi Ta
2006-01-01
Full Text Available Damping is a mechanism that dissipates vibration energy in dynamic systems and plays a key role in dynamic response prediction, vibration control as well as in structural health monitoring during service. In this paper a time domain and a time-scale domain approaches are used for damping estimation of engineering structures, using ambient response data only. The use of tests under ambient vibration is increasingly popular today because they allow to measure the structural response in service. In this paper we consider two engineering structures excited by ambient forces. The first structure is the 310 m tall TV tower recently constructed in the city of Nanjing in China. The second example concerns the Jinma cable-stayed bridge that connects Guangzhou and Zhaoqing in China. It is a single tower, double row cable-stayed bridge supported by 112 stay cables. Ambient vibration of each cable is carried out using accelerometers. From output data only, the modal parameter are extracted using a subspace method and the wavelet transform method.
Rotational Spectrum and Structure of the Quinuclidine Water Complex
Consalvo, D.; Stahl, W.
1995-12-01
The rotational spectrum of the quinuclidine-water complex has been observed in the region 6-20 GHz using a pulsed molecular beam Fourier transform microwave (MB-FTMW) spectrometer. In order to obtain detailed structural information on the complex, spectra of quinuclidine, also called 1-azabicyclo[2.2.2]octane (ABCO), combined with both H2O and H218O were examined. The observation of a symmetric top spectrum is consistent with a complex in which water undergoes internal rotation. Using a reasonable model for the interaction potential, it has been possible to estimate the torsional barrier of water. Centrifugal distortion analysis yields a N-H bond stretching force constant of 12.3 N/m, corresponding to a stretching frequency of 116 cm-1for ABCO-H216O.
EPR structure of the gamma irradiated alanine spectrum
Energy Technology Data Exchange (ETDEWEB)
Cabral P, A.; Jimenez D, H.; Urena N, F.; Galindo, S.; Bosch, P
1992-03-15
In this study is shown that the broadened five-line EPR pattern of the gamma irradiated alanine possibly decomposes into a more complex pattern when the recorded spectrum is subject to an operation of deconvolution. The EPR powder spectra of gamma irradiated DL- and L-alanine with and without binders are analysed. In all recorded spectra, each observed line is resolved into an asymmetrical triplet when a Gaussian distribution of 8.2 gauss width is removed, by deconvolution, from the observed spectrum. On the other hand, from a simple fitting analysis carried out on the original data, one encounters that some calculated relations between characteristic parameters, such as intensity ratios, deviate consistently from assumed height ratios. Both, from deconvolution and fitting results, a different structure is suggested for the observed broadened five-line EPR pattern of {gamma}-irradiated powder DL- and L-alanine. (Author)
Cribbs, Richard Clay
This dissertation describes the development of a coupled rotor/flexible fuselage aeroelastic response model including rotor/fuselage aerodynamic interactions. This model is used to investigate fuselage vibrations and their suppression using active control of structural response (ACSR). The fuselage, modeled by a three dimensional structural dynamic finite element model, is combined with a flexible, four-bladed, hingeless rotor. Each rotor blade is structurally modeled as an isotropic Euler-Bernoulli beam with coupled flap-lag-torsional dynamics assuming moderate deflections. A free wake model is incorporated into the aeroelastic response model and is validated against previous studies. Two and three dimensional sources model the fuselage aerodynamics. Direct aerodynamic influences of the rotor and wake on the fuselage are calculated by integrating pressures over the surface of the fuselage. The fuselage distorts the wake and influences the air velocities at the rotor which alters the aerodynamic loading. This produces fully coupled rotor/fuselage aerodynamic interactions. The influence of the aerodynamic refinements on vibrations is studied in detail. Results indicate that a free wake model and the inclusion of fuselage aerodynamic effects on the rotor and wake are necessary for vibration prediction at all forward speeds. The direct influence of rotor and wake aerodynamics on the fuselage plays a minor role in vibrations. Accelerations with the improved aerodynamic model are significantly greater than uniform inflow results. The influence of vertical separation between the rotor and fuselage on vibrations is also studied. An ACSR control algorithm is developed that preferentially reduces accelerations at selected airframe locations of importance. Vibration reduction studies are carried out using this improved control algorithm and a basic algorithm studied previously at UCLA. Both ACSR methods markedly reduce acceleration amplitudes with no impact on the rotor
DEFF Research Database (Denmark)
Frimand, Kenneth; Bohr, Henrik; Jalkanen, Karl J.
2000-01-01
A detailed comparative study of structures, vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra has been carried out for the zwitterionic structure of the amino acid L-alanine. Theoretically determined structures necessary for deriving VA and VCD spectra were calculated...... at the density functional theory level using the B3LYP functional with the 6-31G* basis set. The Hessians and atomic polar tensors and atomic axial tensors were all calculated at the B3LYP/6-31G* level of theory. An important result is the method of treating solvent effects by both adding explicit water...
Free vibrations of an arbitrary structure in terms of component modes.
Dowell, E. H.
1972-01-01
A method for the analysis of the free vibrations of an arbitrary structure in terms of component modes is presented based upon the use of the normal, free-free modes of the components in a Rayleigh-Ritz analysis with the constraint or continuity conditions
DEFF Research Database (Denmark)
Barron, L.D.; Blanch, E.W.; McColl, I.H.
2003-01-01
On account of its sensitivity to chirality Raman optical activity (ROA), which may be measured as a small difference in vibrational Raman scattering from chiral molecules in right- and left-circularly polarized incident light, is a powerful probe of structure and behaviour of biomolecules in aque...
Structural, vibrational, elastic and topological properties of PaN under pressure
DEFF Research Database (Denmark)
Modak, P.; K. Verma, Ashok; Svane, A.
2013-01-01
Electronic, structural, vibrational and elastic properties of PaN have been studied both at ambient and high pressures, using first principles methods with several commonly used parameterizations of the exchange-correlation energy. The generalized gradient approximation (GGA) reproduces the ground...
Structure and intermolecular vibrations of 7-azaindole-water 2:1 ...
Indian Academy of Sciences (India)
Structure and intermolecular vibrations of 7-azaindole-water 2:1 complex in a supersonic jet expansion: Laser-induced fluorescence spectroscopy and quantum chemistry calculation. #. MONTU K HAZRAa,b, MOITRAYEE MUKHERJEEc, V RAMANATHANa,d and. TAPAS CHAKRABORTYc,∗. aDepartment of Chemistry ...
Structure and intermolecular vibrations of 7-azaindole-water 2: 1 ...
Indian Academy of Sciences (India)
Structure and intermolecular vibrations of 7-azaindole-water 2:1 complex in a supersonic jet expansion: Laser-induced fluorescence spectroscopy and quantum ... Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208 016, India; Department of Chemistry and Biochemistry, University of California, San ...
Khatir, Z.; Pozarlik, Artur Krzysztof; Kok, Jacobus B.W.; Cooper, R.K.; Watterson, J.W.; Oñate, E.; Papadrakakis, M.; Schrefler, B.
2007-01-01
Numerical investigations of fluid structure interaction between unsteady flow and vibrating liner in a combustion chamber are undertaken. The computational study consist of two approaches. Firstly, a partioned procedure consists of coupling the LES code AVBP for combustion modelling with the FEM
Evaluation of Floor Response Spectrum considering Ductility of Structure
Energy Technology Data Exchange (ETDEWEB)
Park, Junhee; Choi, In-Kil [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2014-10-15
The FRS (floor response spectrum) is directly influenced by the behavior of structure under the seismic load. If the structure is nonlinear range, the energy dissipation will be occurred by the damage of structure and the maximum force will be reduced. In Zion method, the inelastic energy abortion factor has been used to consider the nonlinearity of structure. This factor was used for the seismic fragility of structure. For the seismic fragility of equipment, the uncertainty of this factor was used differently according to the story level. But this method is not warranted under the strong earthquake leads to the structural damage. Therefore it is needed to evaluate the FRS considering the nonlinear behavior of structure and to assessment the conservatism related to nonlinear behavior of structure in FRS. In this study, the nonlinear analysis was performed for the conservatism of FRS under the damage of structure. The conservatism of FRS by the nonlinear analysis was compared by that proposed by the Zion method. The conservatism of floor acceleration response for the equipment was evaluated by performing the nonlinear analysis. From the nonlinear analysis results, it was showed that the median and β{sub c} of FRSR was increased with the ductility of structure and the response of equipment had the resonance effect between the frequency of equipment and structure. The seismic capacity of equipment by the Zion method can be different from the real seismic capacity of equipment because the inelastic structure response factor has nothing to do with the ductility of structure. Therefore the median and COV for FRSR should be defined considering the ductility of structure and the frequency of equipment for more exactly evaluating the seismic capacity of equipment.
Effect of Space Vehicle Structure Vibration on Control Moment Gyroscope Dynamics
Dobrinskaya, Tatiana
2008-01-01
Control Moment Gyroscopes (CMGs) are used for non-propulsive attitude control of satellites and space stations, including the International Space Station (ISS). CMGs could be essential for future long duration space missions due to the fact that they help to save propellant. CMGs were successfully tested on the ground for many years, and have been successfully used on satellites. However, operations have shown that the CMG service life on the ISS is significantly shorter than predicted. Since the dynamic environment of the ISS differs greatly from the nominal environment of satellites, it was important to analyze how operations specific to the station (dockings and undockings, huge solar array motion, crew exercising, robotic operations, etc) can affect the CMG performance. This task became even more important since the first CMG failure onboard the ISS. The CMG failure resulted in the limitation of the attitude control capabilities, more propellant consumption, and additional operational issues. Therefore, the goal of this work was to find out how the vibrations of a space vehicle structure, caused by a variety of onboard operations, can affect the CMG dynamics and performance. The equations of CMG motion were derived and analyzed for the case when the gyro foundation can vibrate in any direction. The analysis was performed for unbalanced CMG gimbals to match the CMG configuration on ISS. The analysis showed that vehicle structure vibrations can amplify and significantly change the CMG motion if the gyro gimbals are unbalanced in flight. The resonance frequencies were found. It was shown that the resonance effect depends on the magnitude of gimbal imbalance, on the direction of a structure vibration, and on gimbal bearing friction. Computer modeling results of CMG dynamics affected by the external vibration are presented. The results can explain some of the CMG vibration telemetry observed on ISS. This work shows that balancing the CMG gimbals decreases the effect
Development of a finite dynamic element for free vibration analysis of two-dimensional structures
Gupta, K. K.
1978-01-01
The paper develops an efficient free-vibration analysis procedure of two-dimensional structures. This is achieved by employing a discretization technique based on a recently developed concept of finite dynamic elements, involving higher order dynamic correction terms in the associated stiffness and inertia matrices. A plane rectangular dynamic element is developed in detail. Numerical solution results of free-vibration analysis presented herein clearly indicate that these dynamic elements combined with a suitable quadratic matrix eigenproblem solution technique effect a most economical and efficient solution for such an analysis when compared with the usual finite element method.
Agnes, Gregory Stephen
Linear vibration absorbers are a valuable tool used to suppress vibrations due to harmonic excitation in structural systems. Limited evaluation of the performance of nonlinear vibration absorbers for nonlinear structures exists in the current literature. The state of the art is extended in this work to vibration absorbers in their three major physical implementations: the mechanical vibration absorber, the inductive-resistive shunted piezoelectric vibration absorber, and the electronic vibration absorber (also denoted a positive position feedback controller). A single, consistent, physically similar model capable of examining the response of all three devices is developed. The performance of vibration absorbers attached to single-degree-of-freedom structures is next examined for performance, robustness, and stability. Perturbation techniques and numerical analysis combine to yield insight into the tuning of nonlinear vibration absorbers for both linear and nonlinear structures. The results both clarify and validate the existing literature on mechanical vibration absorbers. Several new results, including an analytical expression for the suppression region's location and bandwidth and requirements for its robust performance, are derived. Nonlinear multiple-degree-of-freedom structures are next evaluated. The theory of Non-linear Normal Modes is extended to include consideration of modal damping, excitation, and small linear coupling, allowing estimation of vibration absorber performance. The dynamics of the N+1-degree-of-freedom system reduce to those of a two-degree-of-freedom system on a four-dimensional nonlinear modal manifold, thereby simplifying the analysis. Quantitative agreement is shown to require a higher order model which is recommended for future investigation. Finally, experimental investigation on both single and multi-degree-of-freedom systems is performed since few experiments on this topic are reported in the literature. The experimental results
Page 1 Mgo Crystal Structure and Its Infra-Red Absorption Spectrum ...
Indian Academy of Sciences (India)
for each of the possible modes of vibration deduced from the geometry of º the structure. Their solution would give us the frequencies of those modes of vibration. -. The forces acting on an atom which determine its movements are those arising from the displacements of other atoms in the crystal by reason of their mutual ...
Directory of Open Access Journals (Sweden)
Douglas Domingues Bueno
2008-01-01
Full Text Available This paper deals with the study of algorithms for robust active vibration control in flexible structures considering uncertainties in system parameters. It became an area of enormous interest, mainly due to the countless demands of optimal performance in mechanical systems as aircraft, aerospace, and automotive structures. An important and difficult problem for designing active vibration control is to get a representative dynamic model. Generally, this model can be obtained using finite element method (FEM or an identification method using experimental data. Actuators and sensors may affect the dynamics properties of the structure, for instance, electromechanical coupling of piezoelectric material must be considered in FEM formulation for flexible and lightly damping structure. The nonlinearities and uncertainties involved in these structures make it a difficult task, mainly for complex structures as spatial truss structures. On the other hand, by using an identification method, it is possible to obtain the dynamic model represented through a state space realization considering this coupling. This paper proposes an experimental methodology for vibration control in a 3D truss structure using PZT wafer stacks and a robust control algorithm solved by linear matrix inequalities.
Synthesis, structure and Hirshfeld surface analysis, vibrational and ...
Indian Academy of Sciences (India)
-dimensional architecture. Hirshfeld surface analysis for visually analysing intermolecular interactions in crystal structures employing molecular surfacecontours and 2D fingerprint plots has been used to scrutinize molecular shapes.
Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine
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.
Ligand effects on the structure and vibrational properties of the thiolated Au18 cluster
Directory of Open Access Journals (Sweden)
Alfredo Tlahuice-Flores
2016-10-01
Full Text Available Most of the studies devoted to thiolated gold clusters suppose that their core and Au-S framework do not suffer from distortion independently of the protecting ligands (-SR and it is assumed as correct to simplify the ligand as SCH3. In this work is delivered a systematic study of the structure and vibrational properties (IR and Raman of the Au18(SR14 cluster. The pursued goal is to understand the dependency of the displayed vibrational properties of the thiolated Au18 cluster with the ligands type. A set of six ligands was considered during calculations of the vibrational properties based on density functional theory (DFT and in its dispersion-corrected approach (DFT-D.
Vibrational spectra, theoretical calculations, and structure of 4-silaspiro(3,3)heptane.
Ocola, Esther J; Medders, Cross; Cooke, Joel M; Laane, Jaan
2014-09-15
Theoretical computations have been carried out for 4-silaspiro(3,3)heptane (SSH) in order to calculate its structure and vibrational spectra. SSH was found to have two puckered four-membered rings with dihedral angles of 34.2° and a tilt angle of 9.4° between the two rings. The puckering and tilting reduce the D2d symmetry to C2. Nonetheless, the vibrational assignments can be done quite well on the basis of D2d symmetry. This is confirmed by the fact that all but the lowest E vibrations show insignificant splitting into A and B modes of C2 symmetry. However, the observed splittings of the lowest frequency modes do confirm the lower conformational symmetry. The calculated infrared and Raman spectra were compared to the experimental spectra collected for the vapor, liquid, and solid states, and the agreement is excellent. Copyright © 2014 Elsevier B.V. All rights reserved.
Vibrational spectra, theoretical calculations, and structure of 4-silaspiro(3,3)heptane
Ocola, Esther J.; Medders, Cross; Cooke, Joel M.; Laane, Jaan
2014-09-01
Theoretical computations have been carried out for 4-silaspiro(3,3)heptane (SSH) in order to calculate its structure and vibrational spectra. SSH was found to have two puckered four-membered rings with dihedral angles of 34.2° and a tilt angle of 9.4° between the two rings. The puckering and tilting reduce the D2d symmetry to C2. Nonetheless, the vibrational assignments can be done quite well on the basis of D2d symmetry. This is confirmed by the fact that all but the lowest E vibrations show insignificant splitting into A and B modes of C2 symmetry. However, the observed splittings of the lowest frequency modes do confirm the lower conformational symmetry. The calculated infrared and Raman spectra were compared to the experimental spectra collected for the vapor, liquid, and solid states, and the agreement is excellent.
Uncertainty and Variation of Vibration in Lightweight Structures
DEFF Research Database (Denmark)
Dickow, Kristoffer Ahrens
2012-01-01
Multi-family dwellings and ofﬁces build from lightweight materials are becoming a cost efﬁcient and environmentally friendly alternative to traditional heavy structures.......Multi-family dwellings and ofﬁces build from lightweight materials are becoming a cost efﬁcient and environmentally friendly alternative to traditional heavy structures....
Czech Academy of Sciences Publication Activity Database
Macholl, S.; Mäder, H.; Harder, H.; Margulés, L.; Dréan, P.; Cosléou, J.; Demaison, J.; Pracna, Petr
2009-01-01
Roč. 113, č. 4 (2009), s. 668-679 ISSN 1089-5639 R&D Projects: GA AV ČR IAA400400504; GA AV ČR 1ET400400410; GA MŠk LC06071; GA AV ČR IAA400400706 Institutional research plan: CEZ:AV0Z40400503 Keywords : Fourier-transform spectrometer * vibrational states * symmetric top molecules Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.899, year: 2009
Extension of vibrational power flow techniques to two-dimensional structures
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.
Analytical and Experimental Random Vibration of Nonlinear Aeroelastic Structures.
1987-01-28
dinamics . Sijthoff- Hilton, H H. and Feigen. M. Minimum weight analysis based on structural Noordhoff Co, Netherlands. reliability. J Aerospace Sc, 27...AEROELASTIC STRUCTURES January 28, 1987 ELECT Tpp. AIM" 0OV 7PTCE OF 9r(’TF1CP RESCH JAMi) NOTI-CE OF wIM 1 T AL TO D .TAC’ ..hirte;h-tz’ l rer)t ’(V...freedom aeroelastic structural model in the neighborhood of combination internal resonance condition. The Fokker:Planck equation approach is used to
Fine structure of the CCl_{3} UV absorption spectrum and CCl_{3} kinetics
DEFF Research Database (Denmark)
Ellermann, T.
1992-01-01
The UV gas-phase spectrum of CCl3 was recorded in the range 220-300 nm using pulse radiolysis of CHCl3/SF6 or CCl4/Ar gas mixtures. The UV spectrum exhibits a pronounced vibrational fine structure which is assigned to transition into the (C2A1'(3s)) Rydberg state. The vibronic progression has...... a band origin around 250 nm and the spacing of 569 +/- 63 cm-1 is ascribed to excitation of the out-of-plane bending mode. The absorption cross section with a maximum of sigma = (1.02 +/- 0.16) x 10(-17) cm2 molecule-1 at 224.80 +/- 0.16 nm was determined relative to sigma(CH3) and sigma(CH3O2). The rate...
Structural, thermal behaviour and vibrational study of a new mixed ...
Indian Academy of Sciences (India)
These anions show a 4° rotation around the fourfold axis against the cubic arrangement of the K2PtCI6 type structure. The monovalent cations (Cs+/NH 4 + ) are located between the octahedra ensuring the stability of the structure by ionic and hydrogen bonding contacts: Cs…Cl/Br and N-H … … Cl/Br. A DTA/TGA ...
Out-of-plane free vibration analysis of a cable-arch structure
Kang, H. J.; Zhao, Y. Y.; Zhu, H. P.
2013-02-01
Cable-arch structure has been widely used in many long-span structures such as cable roofs and cable-stayed arch bridges, but its dynamics is still not well understood. In this paper, the out-of-plane dynamic behavior of a cable-arch structure is investigated. The equations governing the out-of-plane free vibration of the structure are derived using d'Alembert's principle. A transfer matrix method is used to solve the governing equations and determine the frequencies of the out-of-plane vibration. The theories are then used to study two specific cases: free vibration of a model cable-arch and simulation of an arch erection process. The effects of some key parameters of cable and arch, such as tension of cable and radius, open-angle and shape of arch, are examined. The results indicate that in-plane and spatial cables can largely improve the out-of-plane dynamic behavior of arch structures, which are further verified by analyzing the out-of-plane buckling of cable-arch structures. The present work should be valuable and significant not only for the fundamental research but also engineering design of roofs and bridges.
Microwave spectrum and structure of C 6 H 5 CCH\\ctdot H 2 S complex
Goswami, Mausumi; Arunan, E.
2011-07-01
Rotational spectra of C 6H 5CCH⋯H 2S, C 6H 5CCH⋯H 234S, C 6H 5CCH⋯HDS, C 6H 5CCH⋯D 2S and C 6H 5CCD⋯H 2S complexes have been observed using a pulsed nozzle Fourier transform microwave spectrometer. The observed spectrum is consistent with a structure in which hydrogen sulfide is located over the phenyl ring π cloud and the distance between the centers of masses of the two monomers is 3.74 ± 0.01 Å. In the complex, the H 2S unit is shifted from the phenyl ring center towards the acetylene group. The vibrationally averaged structure has an effective C s symmetry. Ab initio calculations were performed at MP2/aug-cc-pVDZ level of theory to locate the possible geometries of the complex. The calculations reveal the experimentally observed structure to be more stable than a coplanar arrangement of the monomers, which was observed for the C 6H 5CCH⋯H 2O complex. Atoms in molecule theoretical analysis shows the presence of S-H⋯π hydrogen bond. For the parent isotopologue, each transition frequency was found to split into two resulting from an interchange of the equivalent hydrogens of H 2S unit in the complex.
Recentering Shape Memory Alloy Passive Damper for Structural Vibration Control
Directory of Open Access Journals (Sweden)
Hui Qian
2013-01-01
Full Text Available This paper presents a preliminary study on the evaluation of an innovative energy dissipation system with shape memory alloys (SMAs for structural seismic protection. A recentering shape memory alloy damper (RSMAD, in which superelastic nitinol wires are utilized as energy dissipation components, is proposed. Improved constitutive equations based on Graesser and Cozzarelli model are proposed for superelastic nitinol wires used in the damper. Cyclic tensile-compressive tests on the damper with various prestrain under different loading frequencies and displacement amplitudes were conducted. The results show that the hysteretic behaviors of the damper can be modified to best fit the needs for passive structural control applications by adjusting the pretension of the nitinol wires, and the damper performance is not sensitive to frequencies greater than 0.5 Hz. To assess the effectiveness of the dampers for structural seismic protection, nonlinear time history analysis on a ten-story steel frame with and without the dampers subjected to representative earthquake ground motions was performed. The simulation results indicate that superelastic SMA dampers are effective in mitigating the structural response of building structures subjected to strong earthquakes.
Fluid-structure finite-element vibrational analysis
Feng, G. C.; Kiefling, L.
1974-01-01
A fluid finite element has been developed for a quasi-compressible fluid. Both kinetic and potential energy are expressed as functions of nodal displacements. Thus, the formulation is similar to that used for structural elements, with the only differences being that the fluid can possess gravitational potential, and the constitutive equations for fluid contain no shear coefficients. Using this approach, structural and fluid elements can be used interchangeably in existing efficient sparse-matrix structural computer programs such as SPAR. The theoretical development of the element formulations and the relationships of the local and global coordinates are shown. Solutions of fluid slosh, liquid compressibility, and coupled fluid-shell oscillation problems which were completed using a temporary digital computer program are shown. The frequency correlation of the solutions with classical theory is excellent.
Structural and Vibrational Study on Monomer and Dimer Forms and Water Clusters of Acetazolamide
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Aysen E. Ozel
2013-01-01
Full Text Available Experimental IR and Raman spectra of solid acetazolamide have been analysed by computing the molecular structures and vibrational spectra of monomer and dimer forms and water clusters of acetazolamide. The possible stable conformers of free acetazolamide molecule in the ground state were obtained by scanning the potential energy surface through the dihedral angles, D1 (1S-2C-6S-9N, D2 (4N-5C-12N-14C, and D3 (5C-12N-14C-16C. The final geometry parameters for the obtained stable conformers were determined by means of geometry optimization, carried out at DFT/B3LYP/6-31G++(d,p theory level. Afterwards the possible dimer forms of the molecule and acetazolamide-H2O clusters were formed and their energetically preferred conformations were investigated using the same method and the same level of theory. The effect of BSSE on the structure and energy of acetazolamide dimer has been investigated. The assignment of the vibrational modes was performed based on the potential energy distribution of the vibrational modes, calculated by using GAR2PED program. The experimental vibrational wavenumbers of solid acetazolamide are found to be in better agreement with the calculated wavenumbers of dimer form of acetazolamide than those of its monomeric form. NBO analysis has been performed on both monomer and dimer geometries.
Influence of bearing support structures on shaft vibration of large hydraulic pump/turbines
Energy Technology Data Exchange (ETDEWEB)
Pistner, C.A.; Greenplate, B.S. [Voith, Hydro, Inc., Pennsylvania, PA (United States); Waddell, A.M. [Tennessee Valley Authority, Chattanooga, TN (United States)
1995-12-31
Start-up transient loads from pump/turbine impellers can cause excessive vibration problems in the shaft system. If the radial guide bearing supports are structurally soft or loose, or if the bearings are worn, the resulting radial shaft movement causes abnormal wear. The wear normally occurs at the impeller sealing surfaces, main shaft seals, motor/generator components, piping, brackets, foundation connections, etc. This paper explores the critical factors causing shaft system vibration problems at the Tennessee Valley Authority`s Raccoon Mountain Pumped Storage Plant, as well as the unique modifications which were implemented to strengthen and improve the units. The solution involved extensive three-dimensional finite element structural and thermal transient analyses of the original and re-designed turbine shoe bearing, bearing housings, and support structures. The conclusion compares the calculated and measured shaft system response to transient loads of the original and modified system.
Directory of Open Access Journals (Sweden)
Adrien Oth
2012-01-01
Full Text Available Major threats to bridges primarily consist of the aging of the structural elements, earthquake-induced shaking and standing waves generated by windstorms. The necessity of information on the state of health of structures in real-time, allowing for timely warnings in the case of damaging events, requires structural health monitoring (SHM systems that allow the risks of these threats to be mitigated. Here we present the results of a short-duration experiment carried out with low-cost wireless instruments for monitoring the vibration characteristics and dynamic properties of a strategic civil infrastructure, the Adolphe Bridge in Luxembourg City. The Adolphe Bridge is a masonry arch construction dating from 1903 and will undergo major renovation works in the upcoming years. Our experiment shows that a network of these wireless sensing units is well suited to monitor the vibration characteristics of such a historical arch bridge and hence represents a low-cost and efficient solution for SHM.
Brandán, Silvia A
2014-01-01
A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate and Nitrate Compounds presents important studies related to the structural and vibrational properties on the chromyl compounds based on Ab-initio calculations. The synthesis and the study of such properties are of chemical importance because the stereo-chemistries and reactivities of these compounds are strongly dependent on the coordination modes that adopt the different ligands linked to the chromyl group. In this book, the geometries of all stable structures in gas phase for chromyl chlorosulfate, fluorosulfate, and nitrate are optimized by using Density functional Theory (DFT). Then, the complete assignments of all observed bands in the infrared and Raman spectra are performed combining DFT calculations with Pulay´s Scaled Quantum Mechanics Force Field (SQMFF) methodology and taking into account the type of coordination adopted by the chlorosulfate, fluorosulfate and nitrate ligands as monodentate and bidentate. Moreover, the ...
Molecular and vibrational structure of 2,2'-dihydroxybenzophenone
DEFF Research Database (Denmark)
Birklund Andersen, Kristine; Langgård, M.; Spanget-Larsen, Jens
1999-01-01
2,2'-dihydroxybenzophenone (DHBP) contains similar bifold intramolecular H-bonding as the psoriatic drug anthralin, but because of steric interference the phenolic rings are twisted in a propeller-like manner, resulting in a molecular structure of C2 symmetry. In contrast to the case of C2v...
An active vibration control method of bridge structures by the ...
African Journals Online (AJOL)
With the on-growing construction of transport and communication structures in rural and urban zones due to economic requirements, and with occurrence of seismic events in past years in particular in Cameroon, one of the purposes of the present work is to display the feasibility and advantages of applying active tendon ...
Complex modes and frequencies in damped structural vibrations
DEFF Research Database (Denmark)
Krenk, Steen
2004-01-01
It is demonstrated that the state space formulation of the equation of motion of damped structural elements like cables and beams leads to a symmetric eigenvalue problem if the stiffness and damping operators are self-adjoint, and that this is typically the case in the absence of gyroscopic force...
Synthesis, structure and Hirshfeld surface analysis, vibrational and ...
Indian Academy of Sciences (India)
The water molecule is placed between the layers formed by organic cations along the b axis. Net- work hydrogen-bonding and π–π interactions lead to the formation of a three-dimensional architecture. Hirshfeld surface analysis for visually analysing intermolecular interactions in crystal structures employing molecular sur-.
Energy Technology Data Exchange (ETDEWEB)
Jurado, J. F.; Londono C, A.; Jurado L, F. F.; Romero S, J. D., E-mail: jfjurado@unal.edu.co [Universidad Nacional de Colombia, Laboratorio de Propiedades Termicas Dielectricas de Compositos, A. A. 127, Manizales (Colombia)
2014-07-01
The synthesis of Zn O by reaction in solid state from two precursor salts (zinc acetate and zinc sulfate), presented significant differences concerning morphology, structure, vibrational order and optical gap. As well as covering in the size of the compounds, a homogeneous distribution of nanoparticles of 21±3 nm and micro stars of 1.03±0.19 μm respectively. The Zn O showed a structural phase with a vibrational state of the hexagonal type (wurtzite). The variation in the morphology due to the precursor is attributed to the disorder within of lattice, which contributes to vibrational changes and is correlated to the degrees of freedom of molecules. Measurements of UV-Vis of nanoparticles displayed a band gap (E{sub g}) lower than the one reported for the bulk material. The structural characterization of the compounds was carried out by using a X-ray Bruker D8 Advance diffractometer. The vibrational order was assessed throughout micro-Raman with a monochromatic radiation source of 473 nm). (Author)
Laminated Thin Shell Structures Subjected to Free Vibration in a Hygrothermal Environment
Gotsis, Pascal K.; Guptill, James D.
1994-01-01
Parametric studies were performed to assess the effects of various parameters on the free-vibration behavior (natural frequencies) of (+/- theta)(sub 2) angle-ply, fiber composite, thin shell structures in a hygrothermal environment. Knowledge of the natural frequencies of structures is important in considering their response to various kinds of excitation, especially when structures and force systems are complex and when excitations are not periodic. The three dimensional, finite element structural analysis computer code CSTEM was used in the Cray YMP computer environment. The fiber composite shell was assumed to be cylindrical and made from T300 graphite fibers embedded in an intermediate-modulus, high-strength matrix. The following parameters were investigated: the length and the laminate thickness of the shell, the fiber orientation, the fiber volume fraction, the temperature profile through the thickness of the laminate, and laminates with different ply thicknesses. The results indicate that the fiber orientation and the length of the laminated shell had significant effects on the natural frequencies. The fiber volume fraction, the laminate thickness, and the temperature profile through the shell thickness had weak effects on the natural frequencies. Finally, the laminates with different ply thicknesses had an insignificant influence on the behavior of the vibrated laminated shell. Also, a single through-the-thickness, eight-node, three dimensional composite finite element analysis appears to be sufficient for investigating the free-vibration behavior of thin, composite, angle-ply shell structures.
DEFF Research Database (Denmark)
McColl, L.H.; Blanch, E.W.; Gill, A.C.
2003-01-01
The vibrational Raman optical activity (ROA) spectrum of a polypeptide in a model beta-sheet conformation, that of poly(L-lysine), was measured for the first time, and the alpha-helix --> beta-sheet transition monitored as a function of temperature in H2O and D2O. Although no significant population...... in beta-sheet shows amide I and amide II ROA bands similar to those of beta-sheet poly(L-lysine), which suggests that the C-terminal domain of the prion protein is able to support unusually flat beta-sheets. A principal component analysis (PCA) that identifies protein structural types from ROA band...
DEFF Research Database (Denmark)
Liang, Shanshan; Crovetto, Andrea; Peng, Zhuoteng
2016-01-01
and experiments with piezoelectric elements show that the energy harvesting device with the bi-resonant structure can generate higher power output than that of the sum of the two separate devices from random vibration sources at low frequency, and hence significantly improves the vibration-to- electricity...
Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik
2014-04-01
Very accurate variational calculations of the complete pure vibrational spectrum of the ditritium (T2) molecule are performed within the framework where the Born-Oppenheimer approximation is not assumed. After separating out the center-of-mass motion from the total laboratory-frame Hamiltonian, T2 becomes a three-particle problem. States corresponding to the zero total angular momentum, which are pure vibrational states, are spherically symmetric in this framework. The wave functions of these states are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even non-negative powers of the internuclear distance. In the calculations the total energies, the dissociation energies, and expectation values of some operators dependent on interparticle distances are determined.
Microwave spectrum, structure, tautomeric, and conformational composition of 4-vinylimidazole
Godfrey, Peter D.; Robertson, Evan G.
2012-08-01
The microwave spectra of the two conformers each, of the 1H and 3H tautomers of 4-vinylimidazole, have been measured in the 48-72 GHz spectral region. The 4-vinylimidazole was generated in situ by the facile decarboxylation of urocanic acid at its vaporization temperature of 220 °C. The recognition of this reaction casts doubt on the reliability of a previous published spectroscopic study apparently mistakenly thought to be of uncontaminated vaporized urocanic acid, a natural product of great interest in skin cancer etiology. Quantum chemical theoretical predictions of the structures of each of ten possible conformers/tautomers of urocanic acid and four of 4-vinylimidazole were performed at the ab initio MP2/cc-pVTZ level, with vibrational predictions at the B3LYP/cc-pVTZ and M062X/cc-pVTZ levels. The predicted values of rotational constants for all the urocanic acid species were found to be quite inconsistent with those of the four observed spectra. For the 4-vinylimidazole isomers, the calculated relative energies suggested that all four species would have substantial equilibrium mole fractions at 220 °C. The isomers were identified by matching the observed and calculated rotational constants. The resulting assignment was found to be consistent with the predicted and observed 14N nuclear quadrupole hyperfine multiplet patterns for a suitable rotational transition, and with the observed versus empirically calculated inertial defects. With one exception, the predicted structures were found to be planar. Resembling the case of 1-vinylimidazole, where one conformer is nonplanar, one isomer of 4-vinylimidazole was found to be quasiplanar. This seems to belong to a class of spontaneous symmetry-breaking observed in the molecular structure of some otherwise planar vinyl aromatic compounds.
Earthquake Vibration Control of Structures using Tuned Liquid Dampers: Experimental Studies
Directory of Open Access Journals (Sweden)
Pradipta Banerji
2010-12-01
Full Text Available Earlier studies have shown conclusively that a Tuned Liquid Damper (TLD is effective for controlling vibrations in structures subjected to narrow-banded wind excitations. A recent numerical study has shown that if the design parameters of a TLD are properly set, this device could also be very effective for controlling structural vibration to broad-banded earthquake excitations. Here the results of a reasonably comprehensive set of experiments are presented to investigate the overall effectiveness of TLDs and the specific effect of TLD parameters (depth and mass ratios for earthquake vibration control of structures. Effects of various earthquake ground motions parameters such as amplitude, frequency content, duration of excitation etc. are also evaluated. It is shown that there is good agreement between the numerical simulation and experimental results. This experimental study conclusively shows that a properly designed TLD reduces structural response to broad-band earthquake excitations. It is also observed that effectiveness of TLD increases with increase in mass ratio, depth ratio and amplitude of ground motion.
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.
Rediscovering Red: Full-Spectrum Structural Color in Colloidal Glasses
Magkiriadou, Sofia; Park, Jin-Gyu; Kim, Young-Seok; Yi, Gi-Ra; Manoharan, Vinothan N.
2014-03-01
We use colloidal glasses to develop pigments with structural color: color that arises from interference rather than absorption. This pigmentation mechanism is common in blue birds, whose feather barbs often contain glassy microstructures. When a glass is illuminated, the spatial correlations between neighboring particles can give rise to constructive interference for a small range of wavelengths. Unlike the colors arising from Bragg diffraction in crystals, the colors of these ``photonic glasses'' are independent of angle due to the disordered, isotropic structure. However, there are no known examples of photonic glasses with pure structural red color, either in nature or in the lab. We present both experimental evidence and a model showing that the absence of red is due to the wavelength-dependence of the single-particle scattering cross-section. We show that this problem can be solved in ``inverse glasses,'' namely glasses composed of particles with refractive index lower than that of their medium. Although these systems are similar to those in birds, no known species uses this mechanism to create red. We use inverse glasses to make full-spectrum, angle-independent structural colors. This will enable the use of colloidal glasses as a new type of long-lasting, non-bleaching pigment.
Moorthi, P. P.; Gunasekaran, S.; Swaminathan, S.; Ramkumaar, G. R.
2015-02-01
A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of mannitol. The FT-IR and FT-Raman spectra of mannitol were recorded in the solid phase. The molecular geometry, vibrational frequencies, thermodynamic functions and atomic charges of mannitol in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking cc-pVDZ basis set. The complete vibrational assignments were performed on the basis of Total Energy Distribution (TED) of the vibrational modes. The UV absorption spectra of the title compound dissolved in water. Natural bond orbital analysis has been carried out to explain the charge transfer or delocalization of charge due to the intra-molecular interactions. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO methods. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of mannitol are calculated using B3LYP/cc-pVDZ and HF/cc-pVDZ methods on the finite-field approach. By using TD-DFT calculation, electronic absorption spectra of the title compound have been predicted and a good agreement with experimental one is established. In addition, the molecular electrostatic potential (MEP) have been investigated using theoretical calculations, the calculated HOMO and LUMO energies shows that the charge transfer within the molecule.
Mei, Chuh; Shen, Mo-How
1987-01-01
Multiple-mode nonlinear forced vibration of a beam was analyzed by the finite element method. Inplane (longitudinal) displacement and inertia (IDI) are considered in the formulation. By combining the finite element method and nonlinear theory, more realistic models of structural response are obtained more easily and faster.
Ultrafast vibrational and structural dynamics of the proton in liquid water.
Woutersen, Sander; Bakker, Huib J
2006-04-07
The dynamical behavior of excess protons in liquid water is investigated using femtosecond vibrational pump-probe spectroscopy. By resonantly exciting the O-H+-stretching mode of the H9O4(+) (Eigen) hydration structure of the proton and probing the subsequent absorption change over a broad frequency range, the dynamics of the proton is observed in real time. The lifetime of the protonic stretching mode is found to be approximately 120 fs, shorter than for any other vibration in liquid water. We also observe the interconversion between the H9O4(+) (Eigen) and H5O2(+) (Zundel) hydration structures of the proton. This interconversion, which constitutes an essential step of proton transport in water, is found to occur on an extremely fast (< 100 fs) time scale.
Vibration-based structural health monitoring of the aircraft large component
Pavelko, V.; Kuznetsov, S.; Nevsky, A.; Marinbah, M.
2017-10-01
In the presented paper there are investigated the basic problems of the local system of SHM of large scale aircraft component. Vibration-based damage detection is accepted as a basic condition, and main attention focused to a low-cost solution that would be attractive for practice. The conditions of small damage detection in the full scale structural component at low-frequency excitation were defined in analytical study and modal FEA. In experimental study the dynamic test of the helicopter Mi-8 tail beam was performed at harmonic excitation with frequency close to first natural frequency of the beam. The index of correlation coefficient deviation (CCD) was used for extraction of the features due to embedded pseudo-damage. It is shown that the problem of vibration-based detection of a small damage in the large scale structure at low-frequency excitation can be solved successfully.
Mei, Chuh
1987-01-01
A finite element method is presented for the large amplitude vibrations of complex structures that can be modelled with beam and rectangular plate elements subjected to harmonic excitation. Both inplane deformation and inertia are considered in the formulation. Derivation of the harmonic force and nonlinear stiffness matrices for a beam and a rectangular plate element are presented. Solution procedures and convergence characteristics of the finite element method are described. Nonlinear response to uniform and concentrated harmonic loadings and improved nonlinear free vibration results are presented for beams and rectangular plates of various boundary conditions.
Improved orthogonality check for measured modes. [from ground vibration testing of structures
Berman, A.
1980-01-01
A method is proposed for performing an orthogonality check for normal modes derived from ground vibration testing. The method utilizes partitioned mass and stiffness matrices for a linear undamped representation of a structure. The normalization of the modes by the proposed method inherently includes the effects of significant displacements which were not measured; and the method may allow the use of fewer measurement points than would be necessary with the conventional method.
Ab-initio study of structural, vibrational and optical properties of solid oxidizers
Energy Technology Data Exchange (ETDEWEB)
Yedukondalu, N.; Vaitheeswaran, G., E-mail: gvsp@uohyd.ernet.in
2016-09-15
We report the structural, elastic and vibrational properties of five ionic-molecular solid oxidizers MNO{sub 3} (M = Li, Na, K) and MClO{sub 3} (M = Na, K). By treating long range electron-correlation effects, dispersion corrected method leads to more accurate predictions of structural properties and phase stability of KNO{sub 3} polymorphs. The obtained elastic moduli show soft nature of these materials and are consistent with Ultrasonic Pulse Echo measurements. We made a complete assignment of vibrational modes which are in good accord with available experimental results. From calculated IR and Raman spectra, it is found that the vibrational frequencies show a red-shift from Li → Na → K (Na → K) and N → Cl for nitrates (chlorates) due to increase in mass of metal and non-metal atoms, respectively. The calculated electronic structure using recently developed Tran-Blaha modified Becke-Johnson potential show that the materials are wide band gap insulators with predominant ionic bonding between M{sup +} (metal) and NO{sub 3}{sup −}/ClO{sub 3}{sup −} ions and covalent bonding (N−O and Cl−O) within nitrate and chlorate anionic group. From the calculated optical spectra, we observe that electric-dipole transitions are due to nitrate/chlorate group below 20 eV and cationic transitions occur above 20 eV. The calculated reflectivity spectra are consistent with the available experimental measurements. - Highlights: • Ground state properties with inclusion of dispersion correction method. • Elastic constants and mechanical properties. • Vibrational spectra and their complete assignment. • Raman and IR spectra. • Electronic structure and optical properties using TB-mBJ potential.
Review on structural damage assessment via transmissibility with vibration based measurements
Zhou, Yun-Lai; Hongyou, Cao; Zhen, Ni; Abdel Wahab, Magd
2017-05-01
In this study, transmissibility based damage assessment techniques with vibration measurement are reviewed with highlighting the recent advancements since damage might induce severe changes and cause huge economic losses in both civil and mechanical engineering structures. In recent years, transmissibility underwent booming and divergent application for damage assessment both in experimental model and engineering application, and this review provides a fundamental understanding for transmissibility based damage assessment by summarizing those research outputs, which can serve as useful reference for further investigations.
The Shock Vibration Bulletin. Part 4. Structural Dynamics and Modal Test and Analysis
1987-01-01
Feb. 1971. 17 16. B. Bresler, and A. C. Scordelis , ’Shear Strength of Reinforced Concrete Beams-,Series 100, Issue 13, Structure and Material Research...their adequacy. Dynamic analyses, choice of failure thresholds of failure are even harder to theories , and an accurate dynamic model are estimate...without experimental evidence. shown to be crucial in fulfilling the 29 71 L requirements. Vibration testing data are theories of failure have to be
Energy Technology Data Exchange (ETDEWEB)
Trendafilova, I, E-mail: Irina.Trendafilova@strath.ac.uk [Department of Mechanical Engineering, University of Strathclyde, 75 Montrose street, Glasgow, G1 1XJ (United Kingdom)
2011-07-19
Vibration-based structural interrogation and health monitoring is a field which is concerned with the estimation of the current state of a structure or a component from its vibration response with regards to its ability to perform its intended function appropriately. One way to approach this problem is through damage features extracted from the measured structural vibration response. This paper suggests to use a new concept for the purposes of vibration-based health monitoring. The correlation between two signals, an input and an output, measured on the structure is used to develop a damage indicator. The paper investigates the applicability of the signal cross-correlation and a nonlinear alternative, the average mutual information between the two signals, for the purposes of structural health monitoring and damage assessment. The suggested methodology is applied and demonstrated for delamination detection in a composite beam.
Ramos, J. M.; de M. Cruz, M. T.; Costa, A. C., Jr.; Ondar, G. F.; Ferreira, Glaucio B.; Raniero, L.; Martin, A. A.; Versiane, O.; Téllez Soto, C. A.
2012-11-01
The aspartateguanidoacetatenickel (II) complex, [Ni(Asp)(GAA)], was synthesized and structural analysis was performed by means of the experimental methods: determination of the C, H, N and O contents, thermogravimetry, infrared and Raman spectroscopy. DFT:B3LYP/6-311G(d, p) calculations have been performed giving optimized structure and harmonic vibrational wavenumbers. Second derivative of the FT-infrared, FT-Raman and Surface Raman Enhanced Scattering (SERS) spectra, and band deconvolution analysis were also performed. Features of the FT-infrared, FT-Raman and SERS confirmed theoretical structure prediction. Full assignment of the vibrational spectrum was also supported by a carefully analysis of the distorted geometries generated by the normal modes. The Natural Bond Orbital analysis (NBO) was also carried out as a way to study the Ni (II) hybridization leading to the pseudo planar geometry of the framework, and the extension of the atomic N and O hybrid orbital of the different amino acids in the bond formation. Bands of charge transfer and d-d transitions were assigned in the UV-Vis spectrum.
Structural, electronic, vibrational and optical properties of Bin clusters
Liang, Dan; Shen, Wanting; Zhang, Chunfang; Lu, Pengfei; Wang, Shumin
2017-10-01
The neutral, anionic and cationic bismuth clusters with the size n up to 14 are investigated by using B3LYP functional within the regime of density functional theory and the LAN2DZ basis set. By analysis of the geometries of the Bin (n = 2-14) clusters, where cationic and anionic bismuth clusters are largely similar to those of neutral ones, a periodic effect by adding units with one to four atoms into smaller cluster to form larger cluster is drawn for the stable structures of bismuth clusters. An even-odd alteration is shown for the properties of the clusters, such as the calculated binding energies and dissociation energies, as well as frontier orbital energies, electron affinities, ionization energies. All the properties indicate that the Bi4 cluster is the most possible existence in bismuth-containing materials, which supports the most recent experiment. The orbital compositions, infrared and Raman activities and the ultraviolet absorption of the most possible tetramer bismuth cluster are given in detail to reveal the periodic tendency of adding bismuth atoms and the stability of tetramer bismuth cluster.
Structure, Vibrational Spectra and Ring Puckering Barrier of Cyclobutane
Energy Technology Data Exchange (ETDEWEB)
Xantheas, Sotiris S.; Blake, Thomas A.
2006-09-02
We present the results of high level ab initio calculations on the structure and puckering barrier of cyclobutane in an effort to establish the minimum theoretical requirements needed for their accurate description. Our best computed value for the puckering angle is 29.68o. Furthermore we found that accurate estimates for the barrier between the minimum (D2d) and transition state (D4h) configurations require both higher levels of electron correlation [MP4, CCSD(T)] and basis sets of quadruple-z quality or larger. By performing CCSD(T) calculations with basis sets as large as cc-pV5Z we obtained a complete basis set (CBS) estimate of 498 cm-1 for the puckering barrier. Our estimate for the barrier is within 10 cm-1 to the value proposed originally, but it lies ~50 cm-1 higher than the one obtained more recently, therefore revisiting the analysis of the experimental data might be warranted. The results of the current study can serve as a guide for calculations on the substituted four member ring compounds. To this end we present a method for estimating the barrier height at higher levels of electron correlation [MP4, CCSD(T)] from the MP2 results.
Coupled vibrations of a structure and fluid excited by pressure shocks. [BWR
Energy Technology Data Exchange (ETDEWEB)
Arros, J.
1979-12-01
The dynamic behavior of an axisymmetric boiling water reactor suppression pool structure and the embedded water under the excitation of the pressure waves from collapsing steam bubbles was studied with a finite element model. The structure was analyzed with thin shell elements. The fluid volume is divided into isoparametric quadrilateral toroidal elements with pressure as the nodal parameter. A water source element was utilized to model the pressure shock excitation. Nonaxisymmetric pressure loads and vibration modes were expressed as a Fourier series in the circumferential coordinate. The system of equations for the structure and fluid was integrated in time using the central difference scheme.
Solution of quadratic matrix equations for free vibration analysis of structures.
Gupta, K. K.
1973-01-01
An efficient digital computer procedure and the related numerical algorithm are presented herein for the solution of quadratic matrix equations associated with free vibration analysis of structures. Such a procedure enables accurate and economical analysis of natural frequencies and associated modes of discretized structures. The numerically stable algorithm is based on the Sturm sequence method, which fully exploits the banded form of associated stiffness and mass matrices. The related computer program written in FORTRAN V for the JPL UNIVAC 1108 computer proves to be substantially more accurate and economical than other existing procedures of such analysis. Numerical examples are presented for two structures - a cantilever beam and a semicircular arch.
Tsuchiya, J.; Tsuchiya, T.
2013-12-01
Serpentine is formed by reaction between peridotite and water which is released from hydrous mineral in subducting slab under pressure. Partially serpentinized peridotite may be a significant reservoir for water in the subducted cold slab and is considered to play an important role in subduction zone processes such as generation of arc magmatism. Precise determination of structure, vibrational and elastic properties of serpentine become the basis for understanding the transporting processes of water into deep Earth interior. Here we investigate by first principles calculation, the detailed structures, vibrational and elastic properties of lizardite, chlorite, and antigorite which are major hydrous minerals in the serpentinized peridotite. We found a very sudden softening of the elastic constants at high pressure condition. This anomaly is associated with a slight change in the compressibility of the c axis which corresponds to the layer normal direction. The calculated OH stretching frequencies also increase suddenly associated with the anomaly and these vibrational behaviors are consistent with the previous Raman measurements. Since other hydrous phyllosilicates such as clay minerals, and mica have similar crystal structures to these hydrous minerals, these anomalous softening is also expected in these minerals under pressure. Research supported in part by special coordination funds for promoting science and technology (Supporting Young Researchers with Fixed-term Appointments) and Grants-In-Aid for Scientific Research from the Japan Society for the Promotion of Science (Nos. 21740380, 20103005, and 24740357).
Directory of Open Access Journals (Sweden)
Shijia Pan
2017-05-01
Full Text Available This paper presents a collaboratively adaptive vibration monitoring system that captures high-fidelity structural vibration signals induced by pedestrians. These signals can be used for various human activities’ monitoring by inferring information about the impact sources, such as pedestrian footsteps, door opening and closing, and dragging objects. Such applications often require high-fidelity (high resolution and low distortion signals. Traditionally, expensive high resolution and high dynamic range sensors are adopted to ensure sufficient resolution. However, for sensing systems that use low-cost sensing devices, the resolution and dynamic range are often limited; hence this type of sensing methods is not well explored ubiquitously. We propose a low-cost sensing system that utilizes (1 a heuristic model of the investigating excitations and (2 shared information through networked devices to adapt hardware configurations and obtain high-fidelity structural vibration signals. To further explain the system, we use indoor pedestrian footstep sensing through ambient structural vibration as an example to demonstrate the system performance. We evaluate the application with three metrics that measure the signal quality from different aspects: the sufficient resolution rate to present signal resolution improvement without clipping, the clipping rate to measure the distortion of the footstep signal, and the signal magnitude to quantify the detailed resolution of the detected footstep signal. In experiments conducted in a school building, our system demonstrated up to 2× increase on the sufficient resolution rate and 2× less error rate when used to locate the pedestrians as they walk along the hallway, compared to a fixed sensing setting.
Vitnik, Željko J.; Popović-Đorđević, Jelena B.; Vitnik, Vesna D.
2017-06-01
The establishment of the most stable structures of 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione, potential anticancer and antimicrobial drug has been investigated in this work. A detailed interpretation of experimental and calculated IR, UV and NMR spectra were reported. The equilibrium geometry, harmonic vibrational frequencies and electronic properties have been investigated with Density Functional Theory using B3LYP/6-311++G(d,p) method. The scaled theoretical wavenumber showed very good agreement with the experimental values. The charge transfer in the molecule was confirmed with NBO analysis. Ultraviolet-visible spectrum was calculated using TD-DFT method and compared with experimental spectrum. The calculated energy and oscillator strength well reproduce the experimental data. The molecular electrostatic potential surface map portrays potential binding sites of the title molecule.
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.
Dzung Nguyen, Sy; Kim, Wanho; Park, Jhinha; Choi, Seung-Bok
2017-04-01
Vibration control systems using smart dampers (SmDs) such as magnetorheological and electrorheological dampers (MRD and ERD), which are classified as the integrated structure-SmD control systems (ISSmDCSs), have been actively researched and widely used. This work proposes a new controller for a class of ISSmDCSs in which high accuracy of SmD models as well as increment of control ability to deal with uncertainty and time delay are to be expected. In order to achieve this goal, two formualtion steps are required; a non-parametric SmD model based on an adaptive neuro-fuzzy inference system (ANFIS) and a novel fuzzy sliding mode controller (FSMC) which can weaken the model error of the ISSmDCSs and hence provide enhanced vibration control performances. As for the formulation of the proposed controller, first, an ANFIS controller is desgned to identify SmDs using the improved control algorithm named improved establishing neuro-fuzzy system (establishing neuro-fuzzy system). Second, a new control law for the FSMC is designed via Lyapunov stability analysis. An application to a semi-active MRD vehicle suspension system is then undertaken to illustrate and evaluate the effectiveness of the proposed control method. It is demonstrated through an experimental realization that the FSMC proposed in this work shows superior vibration control performance of the vehicle suspension compared to other surveyed controller which have similar structures to the FSMC, such as fuzzy logic and sliding mode control.
Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals
Directory of Open Access Journals (Sweden)
Mudar Ahmed Abdulsattar
2014-12-01
Full Text Available Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å is within this distribution range. Tetrahedral and dihedral angles approach values of bulk as we go to higher diamondoids. Optical-phonon energy of larger diamondoids stabilizes at 0.037 eV (297 cm-1 compared to experimental 0.035 eV (285.2 cm-1. Ga-As force constant reaches 1.7 mDyne/Å which is comparable to Ga-Ge force constant (1.74 mDyne/Å. Hydrogen related vibrations are nearly constant and serve as a fingerprint of GaAs diamondoids while Ga-As vibrations vary with size of diamondoids.
Shundalau, M. B.; Chybirai, P. S.; Komyak, A. I.; Zazhogin, A. P.; Ksenofontov, M. A.; Umreiko, D. S.
2011-07-01
We present results of ab initio and DFT calculations of the structure and IR vibrational spectra of the monomer and dimers of N,N-dimethylformamide (DMF). The calculations were carried out in the B3LYP/cc-pVDZ approximation with subsequent force-field scaling. The calculated characteristics of the vibrational spectra of DMF show satisfactory agreement with experimental values, allowing them to be used in spectral and structural analysis.
Theoretical structural and vibrational study of 5-trifluoromethyluracil. A comparison with uracil
Energy Technology Data Exchange (ETDEWEB)
Rudyk, Roxana; Ramos, María E.; Checa, María A.; Brandán, Silvia A. [Cátedra de Química General, Instituto de Química Inorgánica, Facultad de Bioquímica, Química y Farmacia, Universidad Nacional de Tucumán, Ayacucho 471,(4000), San Miguel de Tucumán, Tucum and #x00E1 (Argentina); Chamorro, Eduardo E. [Facultad de Ciencias Exactas, Universidad Andrés Bello, Avda. República 275, 8370146, Santiago (Chile)
2014-10-06
In the present work, a comparative study on the structural and vibrational properties of the 5-trifluoromethyluracil (TFMU) derivative with those corresponding to uracil in gas and aqueous solution phases was performed combining the available H{sup 1}-NMR, C{sup 13}-NMR, F{sup 19}-NMR and FTIR spectra with Density Functional Theory (DFT) calculations. Three stable conformers were theoretically determined in both media by using the hybrid B3LYP/6-31G* method. The solvent effects were simulated by means of the self-consistent reaction field (SCRF) method employing the integral equation formalism variant (IEFPCM). Complete assignments of the vibrational spectra in both phases were performed combining the internal coordinates analysis and the DFT calculations with the Scaled Quantum Mechanics Force Field (SQMFF) methodology. The atomic charges, bond orders, solvation energies, dipole moments, molecular electrostatic potentials and force constants parameters were calculated for the three conformers of TFMU in gas phase and aqueous solution.
Estimations of non-linearities in structural vibrations of string musical instruments
Ege, Kerem; Boutillon, Xavier
2012-01-01
Under the excitation of strings, the wooden structure of string instruments is generally assumed to undergo linear vibrations. As an alternative to the direct measurement of the distortion rate at several vibration levels and frequencies, we characterise weak non-linearities by a signal-model approach based on cascade of Hammerstein models. In this approach, in a chain of two non-linear systems, two measurements are sufficient to estimate the non-linear contribution of the second (sub-)system which cannot be directly linearly driven, as a function of the exciting frequency. The experiment consists in exciting the instrument acoustically. The linear and non-linear contributions to the response of (a) the loudspeaker coupled to the room, (b) the instrument can be separated. Some methodological issues will be discussed. Findings pertaining to several instruments - one piano, two guitars, one violin - will be presented.
Surface energy effect on free vibration of nano-sized piezoelectric double-shell structures
Fang, Xue-Qian; Zhu, Chang-Song; Liu, Jin-Xi; Liu, Xiang-Lin
2018-01-01
Combining Goldenveizer-Novozhilov shell theory, thin plate theory and electro-elastic surface theory, the size-dependent vibration of nano-sized piezoelectric double-shell structures under simply supported boundary condition is presented, and the surface energy effect on the natural frequencies is discussed. The displacement components of the cylindrical nano-shells and annular nano-plates are expanded as the superposition of standard Fourier series based on Hamilton's principle. The total stresses with consideration of surface energy effect are derived, and the total energy function is obtained by using Rayleigh-Ritz energy method. The free vibration equation is solved, and the natural frequency is analyzed. In numerical examples, it is found that the surface elastic constant, piezoelectric constant and surface residual stress show different effects on the natural frequencies. The effect of surface piezoelectric constant is the maximum. The effect of dimensions of the double-shell under different surface material properties is also examined.
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.
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.
Kiefer, Johannes; Wagenfeld, Sabine; Kerlé, Daniela
2018-01-01
Alkyl alcohols are widely used in academia, industry, and our everyday lives, e.g. as cleaning agents and solvents. Vibrational spectroscopy is commonly used to identify and quantify these compounds, but also to study their structure and behavior. However, a comprehensive investigation and comparison of all normal alkanols that are liquid at room temperature has not been performed, surprisingly. This study aims at bridging this gap with a combined experimental and computational effort. For this purpose, the alkyl alcohols from methanol to undecan-1-ol have been analyzed using infrared and Raman spectroscopy. A detailed assignment of the individual peaks is presented and the influence of the alkyl chain length on the hydrogen bonding network is discussed. A 2D vibrational mapping allows a straightforward visualization of the effects. The conclusions drawn from the experimental data are backed up with results from Monte Carlo simulations using the simulation package Cassandra.
Tsekov, R
2015-01-01
Diffusion of normal alkanes in one-dimensional zeolites is theoretically studied on the basis of the stochastic equation formalism. The calculated diffusion coefficient accounts for the vibrations of the diffusing molecule and zeolite framework, molecule-zeolite interaction, and specific structure of the zeolite. It is shown that when the interaction potential is predominantly determined by the zeolite pore structure, the diffusion coefficient varies periodically with the number of carbon atoms of the alkane molecule, a phenomenon called resonant diffusion. A criterion for observable resonance is obtained from the balance between the interaction potentials of the molecule due to the atomic and pore structures of the zeolite. It shows that the diffusion is not resonant in zeolites without pore structure, such as ZSM-12. Moreover, even in zeolites with developed pore structure no resonant dependence of the diffusion constant can be detected if the pore structure energy barriers are not at least three times high...
Switchable amplification of vibrational circular dichroism as a probe of local chiral structure.
Domingos, Sérgio R; Sanders, Hans J; Hartl, František; Buma, Wybren J; Woutersen, Sander
2014-12-15
A new method to detect the vibrational circular dichroism (VCD) of a localized part of a chiral molecular system is reported. A local VCD amplifier was implemented, and the distance dependence of the amplification was investigated in a series of peptides. The results indicate a characteristic distance of 2.0±0.3 bonds, which suggests that the amplification is a localized phenomenon. The amplifier can be covalently coupled to a specific part of a molecule, and can be switched ON and OFF electrochemically. By subtracting the VCD spectra obtained when the amplifier is in the ON and OFF states, the VCD of the local environment of the amplifier can be separated from the total VCD spectrum. Switchable local VCD amplification thus makes it possible to "zoom in" on a specific part of a chiral molecule. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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.
Asath, R. Mohamed; Premkumar, S.; Rekha, T. N.; Jawahar, A.; Mathavan, T.; Benial, A. Milton Franklin
2016-05-01
The conformational analysis was carried out for 6-aminonicotinamide (ANA) using potential energy surface scan method and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the related molecular properties were calculated. The ultraviolet-visible spectrum was simulated for both in the gas phase and liquid phase (ethanol) and the л to л* electronic transition was predicted. The nonlinear optical (NLO) activity was studied by means of the first order hyperpolarizability value, which was 8.61 times greater than the urea and the natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ANA molecule is a promising candidate for the NLO materials.
Energy Technology Data Exchange (ETDEWEB)
Asath, R. Mohamed; Premkumar, S.; Mathavan, T.; Benial, A. Milton Franklin, E-mail: miltonfranklin@yahoo.com [Department of Physics, N.M.S.S.V.N College, Madurai-625019, Tamilnadu (India); Rekha, T. N. [PG & Research Department of Physics, Lady Doak College, Madurai 625002, Tamilnadu (India); Jawahar, A. [Department of Chemistry, N.M.S.S.V.N College, Madurai-625019, Tamilnadu (India)
2016-05-23
The conformational analysis was carried out for 6-aminonicotinamide (ANA) using potential energy surface scan method and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the related molecular properties were calculated. The ultraviolet-visible spectrum was simulated for both in the gas phase and liquid phase (ethanol) and the π to π* electronic transition was predicted. The nonlinear optical (NLO) activity was studied by means of the first order hyperpolarizability value, which was 8.61 times greater than the urea and the natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ANA molecule is a promising candidate for the NLO materials.
Multi-state analysis of the OCS ultraviolet absorption including vibrational structure
DEFF Research Database (Denmark)
Schmidt, Johan Albrecht; Johnson, Matthew Stanley; McBane, G.C.
2012-01-01
The first absorption band of OCS (carbonyl sulfide) is analyzed using potential energy surfaces and transition dipole moment functions of the lowest four singlet and the lowest four triplet states. Excitation of the 2 (1)A' state is predominant except at very low photon energies. It is shown that...... that the vibrational structures in the center of the band are due to excitation of the 2 (3)A'' triplet state, whereas the structures at very low energies are caused by bending excitation in the potential wells of states 2 (1)A' and 1 (1)A''....
Structural Analysis of Pressurized Small Diameter Lines in a Random Vibration Environment
Davis, Mark; Ridnour, Andrew; Brethen, Mark
2011-01-01
The pressurization and propellant feed lines for the Ares 1 Upper Stage Reaction and Roll Control Systems (ReCS and RoCS) were required to be in a high g-load random vibration flight environment. The lines connected the system components and were filled with both liquid hydrazine and gaseous helium. They are considered small and varied between one fourth to one inch in diameter. The random vibration of the lines was considered to be base excitation through the mating components and mounting hardware. It was found that reducing the amount of support structure for the lines added flexibility to the system and improved the line stresses from random vibration, but caused higher stresses from the static g-loads. The locations and number of brackets were optimized by analyzing the mode shapes of the lines causing high stresses. The use of brackets that only constrain motion in the direction of concern further reduced the stresses in the lines. Finite element analysis was used to perform the analysis. The lines were pre-stressed by temperature and internal pressure with fluid and insulation included as non-structural mass. Base excitation was added to the model using Power Spectral Density (PSD) data for the expected flight loads. The random vibration and static g-load cases were combined to obtain the total stress in the lines. This approach advances the state of the art in line analysis by using FEA to predict the stresses in the lines and to optimize the entire system based on the expected flight environment. Adding flexibility to lines has been used in piping system for temperature loads, but in flight environments flexibility has been limited for the static stresses. Adding flexibility to the system in a flight environment by reducing brackets has the benefit of reducing stresses and weight
Madsen, Niels Kristian; Godtliebsen, Ian H; Losilla, Sergio A; Christiansen, Ove
2018-01-14
A new implementation of vibrational coupled-cluster (VCC) theory is presented, where all amplitude tensors are represented in the canonical polyadic (CP) format. The CP-VCC algorithm solves the non-linear VCC equations without ever constructing the amplitudes or error vectors in full dimension but still formally includes the full parameter space of the VCC[n] model in question resulting in the same vibrational energies as the conventional method. In a previous publication, we have described the non-linear-equation solver for CP-VCC calculations. In this work, we discuss the general algorithm for evaluating VCC error vectors in CP format including the rank-reduction methods used during the summation of the many terms in the VCC amplitude equations. Benchmark calculations for studying the computational scaling and memory usage of the CP-VCC algorithm are performed on a set of molecules including thiadiazole and an array of polycyclic aromatic hydrocarbons. The results show that the reduced scaling and memory requirements of the CP-VCC algorithm allows for performing high-order VCC calculations on systems with up to 66 vibrational modes (anthracene), which indeed are not possible using the conventional VCC method. This paves the way for obtaining highly accurate vibrational spectra and properties of larger molecules.
Madsen, Niels Kristian; Godtliebsen, Ian H.; Losilla, Sergio A.; Christiansen, Ove
2018-01-01
A new implementation of vibrational coupled-cluster (VCC) theory is presented, where all amplitude tensors are represented in the canonical polyadic (CP) format. The CP-VCC algorithm solves the non-linear VCC equations without ever constructing the amplitudes or error vectors in full dimension but still formally includes the full parameter space of the VCC[n] model in question resulting in the same vibrational energies as the conventional method. In a previous publication, we have described the non-linear-equation solver for CP-VCC calculations. In this work, we discuss the general algorithm for evaluating VCC error vectors in CP format including the rank-reduction methods used during the summation of the many terms in the VCC amplitude equations. Benchmark calculations for studying the computational scaling and memory usage of the CP-VCC algorithm are performed on a set of molecules including thiadiazole and an array of polycyclic aromatic hydrocarbons. The results show that the reduced scaling and memory requirements of the CP-VCC algorithm allows for performing high-order VCC calculations on systems with up to 66 vibrational modes (anthracene), which indeed are not possible using the conventional VCC method. This paves the way for obtaining highly accurate vibrational spectra and properties of larger molecules.
Design of three-element dynamic vibration absorber for damped linear structures
Anh, N. D.; Nguyen, N. X.; Hoa, L. T.
2013-09-01
The standard type of dynamic vibration absorber (DVA) called the Voigt DVA is a classical model and has long been investigated. In the paper, we will consider an optimization problem of another model of DVA that is called three-element type DVA for damped primary structures. Unlike the standard absorber configuration, the three-element DVA contains two spring elements in which one is connected to a dashpot in series and the other is placed in parallel. There have been some studies on the design of the three-element DVA for undamped primary structures. Those studies have shown that the three-element DVA produces better performance than the Voigt DVA does. When damping is present at the primary system, to the best knowledge of the authors, there has been no study on the three-element dynamic vibration absorber. This work presents a simple approach to determine the approximate analytical solutions for the H∞ optimization of the three-element DVA attached to the damped primary structure. The main idea of the study is based on the criteria of the equivalent linearization method in order to replace approximately the original damped structure by an equivalent undamped one. Then the approximate analytical solution of the DVA's parameters is given by using known results for the undamped structure obtained. The comparisons have been done to verify the effectiveness of the obtained results.
Keiderling, Timothy A
2017-10-04
Isotope labeling has a long history in chemistry as a tool for probing structure, offering enhanced sensitivity, or enabling site selection with a wide range of spectroscopic tools. Chirality sensitive methods such as electronic circular dichroism are global structural tools and have intrinsically low resolution. Consequently, they are generally insensitive to modifications to enhance site selectivity. The use of isotope labeling to modify vibrational spectra with unique resolvable frequency shifts can provide useful site-specific sensitivity, and these methods have been recently more widely expanded in biopolymer studies. While the spectral shifts resulting from changes in isotopic mass can provide resolution of modes from specific parts of the molecule and can allow detection of local change in structure with perturbation, these shifts alone do not directly indicate structure or chirality. With vibrational circular dichroism (VCD), the shifted bands and their resultant sign patterns can be used to indicate local conformations in labeled biopolymers, particularly if multiple labels are used and if their coupling is theoretically modeled. This mini-review discusses selected examples of the use of labeling specific amides in peptides to develop local structural insight with VCD spectra. © 2017 Wiley Periodicals, Inc.
Structure-borne sound and vibration from building-mounted wind turbines
Moorhouse, Andy; Elliott, Andy; Eastwick, Graham; Evans, Tomos; Ryan, Andy; von Hunerbein, Sabine; le Bescond, Valentin; Waddington, David
2011-07-01
Noise continues to be a significant factor in the development of wind energy resources. In the case of building-mounted wind turbines (BMWTs), in addition to the usual airborne sound there is the potential for occupants to be affected by structure-borne sound and vibration transmitted through the building structure. Usual methods for prediction and evaluation of noise from large and small WTs are not applicable to noise of this type. This letter describes an investigation aiming to derive a methodology for prediction of structure-borne sound and vibration inside attached dwellings. Jointly funded by three UK government departments, the work was motivated by a desire to stimulate renewable energy generation by the removal of planning restrictions where possible. A method for characterizing BMWTs as sources of structure-borne sound was first developed during a field survey of two small wind turbines under variable wind conditions. The 'source strength' was established as a function of rotor speed although a general relationship to wind speed could not be established. The influence of turbulence was also investigated. The prediction methodology, which also accounts for the sound transmission properties of the mast and supporting building, was verified in a field survey of existing installations. Significant differences in behavior and subjective character were noted between the airborne and structure-borne noise from BMWTs.
Hussan, Mosaruf; Sharmin, Faria; Kim, Dookie
2017-08-01
The dynamics of jacket supported offshore wind turbine (OWT) in earthquake environment is one of the progressing focuses in the renewable energy field. Soil-structure interaction (SSI) is a fundamental principle to analyze stability and safety of the structure. This study focuses on the performance of the multiple tuned mass damper (MTMD) in minimizing the dynamic responses of the structures objected to seismic loads combined with static wind and wave loads. Response surface methodology (RSM) has been applied to design the MTMD parameters. The analyses have been performed under two different boundary conditions: fixed base (without SSI) and flexible base (with SSI). Two vibration modes of the structure have been suppressed by multi-mode vibration control principle in both cases. The effectiveness of the MTMD in reducing the dynamic response of the structure is presented. The dynamic SSI plays an important role in the seismic behavior of the jacket supported OWT, especially resting on the soft soil deposit. Finally, it shows that excluding the SSI effect could be the reason of overestimating the MTMD performance.
Forced vibration and wave propagation in mono-coupled periodic structures
DEFF Research Database (Denmark)
Ohlrich, Mogens
1986-01-01
This paper describes the wave propagation and vibration characteristics of mono-coupled structures which are of spatially periodic nature. The receptance approach to periodic structure theory is applied to study undamped periodic systems with composite structural elements; particular emphasis...... is laid on investigating resonant periodic point loading and its pronounced effect on the propagation of longitudinal waves. General mono-coupled periodic systems are first assumed to be infinite in extent; thereafter reflections caused by arbitrary end terminations of finite structures are considered...... and a general `closed form' solution is found for the forced harmonic response at element junctions. This `junction-receptance' is used to determine-discrete junction mode shapes of a finite system. Finally, the forced response of a finite structure with an internal obstruction is derived as a natural extension...
ExoMol molecular line lists - XVII. The rotation-vibration spectrum of hot SO_{3}
DEFF Research Database (Denmark)
Underwood, Daniel S.; Yurchenko, Sergei N.; Tennyson, Jonathan
2016-01-01
Sulphur trioxide (SO3) is a trace species in the atmospheres of the Earth and Venus, as well as being an industrial product and an environmental pollutant. A variational line list for 32S16O3, named UYT2, is presented containing 21 billion vibration-rotation transitions. UYT2 can be used to model...
ExoMol molecular line lists - XIV. The rotation-vibration spectrum of hot SO_{2}
DEFF Research Database (Denmark)
Underwood, Daniel S.; Tennyson, Jonathan; Yurchenko, Sergei N.
2016-01-01
Sulphur dioxide is well-known in the atmospheres of planets and satellites, where its presence is often associated with volcanism, and in circumstellar envelopes of young and evolved stars as well as the interstellar medium. This work presents a line list of 1.3 billion 32S16O2 vibration-rotation...
Shishlov, N. M.; Akhmetzyanov, Sh S.; Khursan, S. L.
2017-02-01
Experimental IR spectra of crystalline dried and non-dried potassium diphenylsulfophthalide (TAC-K) as a model compound for polymeric salts are presented. DFT analysis (B3LYP/6-311G(d,p)) of the structure and IR spectra of a series of compounds similar in structure to TAC-K as well as their dimers indicates that the sulfonate group environment strongly affects the positions of absorption bands (ABs) of vibrations of Ssbnd O bonds and demonstrates that information on the exact structure of ion clusters is needed for reliable and unambiguous assignment of the ABs in experimental IR spectra of real sulfonate ion containing systems to particular vibrational modes. Various ways of metal ion coordination with sulfonate ion, as well as their reflection in IR spectra of model compounds, are considered and discussed. Using TAC-K as an example, the effect of an intramolecular hydrogen bond on the vibrational modes of sulfonate group and hydroxy group is considered. The effect of ion aggregation on the shape of the IR spectrum of TAC-K is analyzed for an energetically favorable dimer of this salt as an example. Based on a combination of calculated, literature and reference data, a number of ABs in the IR spectra of TAC-K have been tentatively assigned. In particular, the bands in the region of 3230-3180 cm-1 have been assigned to ν(Osbnd H); those at 1240-1160 cm-1, to νas(SO3-); the AB at 1080 cm-1, to νs(SO3-); that at 616 cm-1, to δ(oop)s(SO3-); and that at 570 cm-1, to δ(ip)as(SO3-).
Bodis, Pavol; Schwartz, Erik; Koepf, Matthieu; Cornelissen, Jeroen J L M; Rowan, Alan E; Nolte, Roeland J M; Woutersen, Sander
2009-09-28
Self-trapping of NH-stretch vibrational excitations in synthetic beta-sheet helices is observed using femtosecond infrared pump-probe spectroscopy. In a dialanine-based beta-sheet helix, the transient-absorption change upon exciting the NH-stretch mode exhibits a negative absorption change at the fundamental frequency and two positive peaks at lower frequencies. These two induced-absorption peaks are characteristic for a state in which the vibrational excitation is self-trapped on essentially a single NH-group in the hydrogen-bonded NH...OC chain, forming a small (Holstein) vibrational polaron. By engineering the structure of the polymer we can disrupt the hydrogen-bonded NH...OC chain, allowing us to eliminate the self-trapping, as is confirmed from the NH-stretch pump-probe response. We also investigate a trialanine-based beta-sheet helix, where each side chain participates in two NH...OC chains with different hydrogen-bond lengths. The chain with short hydrogen bonds shows the same self-trapping behavior as the dialanine-based beta-sheet helix, whereas in the chain with long hydrogen bonds the self-trapping is too weak to be observable.
Directory of Open Access Journals (Sweden)
Lezin Seba MINSILI
2013-11-01
Full Text Available The purpose of this research paper was to assess and predict the effect of vibrations induced by an underground railway on nearby-existing buildings prior to the construction of projected new railway lines of the National Railway Master Plan of Cameroon and after upgrading of the railway conceded to CAMRAIL linking the two most densely populated cities of Cameroon: Douala and Yaoundé. With the source-transmitter-receiver mathematical model as the train-soil-structure interaction model, taking into account sub-model parameters such as type of the train-railway system, typical geotechnical conditions of the ground and the sensitivity of the nearby buildings, the analysis is carried out over the entire system using the dynamic finite element method in the time domain. This subdivision of the model is a powerful tool that allows to consider different alternatives of sub-models with different characteristics, and thus to determine any critical excessive vibration impact. Based on semi-empirical analytical results obtained from presented models, the present work assesses and predicts characteristics of traffic-induced vibrations as a function of time duration, intensity and vehicle speed, as well as their influence on buildings at different levels.
Energy Technology Data Exchange (ETDEWEB)
Mosquera, Edgar, E-mail: edemova@ing.uchile.cl [Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile); Rojas-Michea, Carolina, E-mail: rojasmichea@gmail.com [Departamento de Ingeniería Química y Biotecnología, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2007, Santiago (Chile); Morel, Mauricio, E-mail: mmorel@ing.uchile.cl [Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile); Gracia, Francisco, E-mail: Fgracia@ing.uchile.cl [Departamento de Ingeniería Química y Biotecnología, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2007, Santiago (Chile); Fuenzalida, Víctor, E-mail: vfuenzal@ing.uchile.cl [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Blanco Encalada 2008, Santiago (Chile); Zárate, Ramón A., E-mail: rzarate@ucn.cl [Departamento de Física, Facultad de Ciencias, Universidad Católica del Norte, Casilla 1280, Antofagasta (Chile)
2015-08-30
Graphical abstract: Local vibrational modes of ZnO:Ag nanoparticles. - Highlights: • Formation of Ag biphases is observed when the Ag content increases. • The SPR property has been monitored in the UV–visible regime. • PL emission of ZnO:Ag nanoparticles are associated to structural defects. • A new local vibrational mode induced by Ag content were observed in the Raman spectra. - Abstract: Zinc oxide nanoparticles with different amounts of incorporated silver (ZnO:Ag; 0.6, 3, 6, and 9 at.% Ag) have been successfully synthesized by a simple sol gel method. The effect of Ag content on the properties of ZnO nanoparticles have been studied by various characterization techniques. The results from X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy (RS) suggest that elemental silver is present as a second phase. The UV–visible absorption and photoluminescence (PL) properties of the samples were also studied. PL data at room temperature reveals a strong blue emission. In addition, Raman spectroscopy results indicate a very strong A{sub 1}(LO) mode resulting from oxygen vacancies and zinc interstitials. A new local vibrational mode (LVM) at 480 cm{sup −1} induced by silver can also be observed in the Raman spectra, suggesting silver incorporation into the ZnO lattice compensating the Zn vacancies, which is consistent with the XRD results.
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.
Ittianuwat, R; Fard, M; Kato, K
2017-01-01
Although much research has been done in developing the current ISO 2631-1 (1997) standard method for assessment seat vibration comfort, little consideration has been given to the influence of vehicle seat structural dynamics on comfort assessment. Previous research has shown that there are inconsistencies between standard methods and subjective evaluation of comfort at around vehicle seat twisting resonant frequencies. This study reports the frequency-weighted r.m.s. accelerations in [Formula: see text], [Formula: see text] and [Formula: see text] axes and the total vibration (point vibration total value) at five locations on seatback surface at around vehicle seat twisting resonant frequencies. The results show that the vibration measured at the centre of seatback surface, suggested by current ISO 2631-1 (1997), at around twisting resonant frequencies was the least for all tested vehicle seats. The greatest point vibration total value on the seatback surface varies among vehicle seats. The variations in vibration measured at different locations on seatback surface at around twisting resonant frequencies were sufficiently great that might affect the comfort assessment of vehicle seat.Practitioner Summary: The influence of vehicle seat structural dynamics has not been considered in current ISO 2631-1 (1997). The results of this study show that the vibration measures on seatback surface at around vehicle seat twisting resonant frequency depends on vehicle seats and dominate at the top or the bottom of seatback but not at the centre.
Moorthi, P P; Gunasekaran, S; Swaminathan, S; Ramkumaar, G R
2015-02-25
A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of mannitol. The FT-IR and FT-Raman spectra of mannitol were recorded in the solid phase. The molecular geometry, vibrational frequencies, thermodynamic functions and atomic charges of mannitol in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking cc-pVDZ basis set. The complete vibrational assignments were performed on the basis of Total Energy Distribution (TED) of the vibrational modes. The UV absorption spectra of the title compound dissolved in water. Natural bond orbital analysis has been carried out to explain the charge transfer or delocalization of charge due to the intra-molecular interactions. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO methods. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of mannitol are calculated using B3LYP/cc-pVDZ and HF/cc-pVDZ methods on the finite-field approach. By using TD-DFT calculation, electronic absorption spectra of the title compound have been predicted and a good agreement with experimental one is established. In addition, the molecular electrostatic potential (MEP) have been investigated using theoretical calculations, the calculated HOMO and LUMO energies shows that the charge transfer within the molecule. Copyright © 2014 Elsevier B.V. All rights reserved.
Microwave Spectrum and Structure of the Methane-Propane Complex
Peterson, Karen I.; Lin, Wei; Arsenault, Eric A.; Choi, Yoon Jeong; Novick, Stewart E.
2017-06-01
Methane is exceptional in its solid-phase orientational disorder that persists down to 24 K. Only below that temperature does the structure become partially ordered, and full crystallinity requires even lower temperatures and high pressures. Not surprisingly, methane appears to freely rotate in most van der Waals complexes, although two notable exceptions are CH_4-HF and CH_4-C_5H_5N. Of interest to us is how alkane interactions affect the methane rotation. Except for CH_4-CH_4, rotationally-resolved spectra of alkane-alkane complexes have not been studied. To fill this void, we present the microwave spectrum of CH_4-C_3H_8 which is the smallest alkane complex with a practical dipole moment. The microwave spectrum of CH_4-C_3H_8 was measured using the Fourier Transform microwave spectrometer at Wesleyan University. In the region between 7100 and 25300 MHz, we observed approximately 70 transitions that could plausibly be attributed to the CH_4-C_3H_8 complex (requiring high power and the proper mixture of gases). Of these, 16 were assigned to the A-state (lowest internal rotor state of methane) and four to the F-state. The A-state transitions were fitted with a Watson Hamiltonian using nine spectroscopic constants of which A = 7553.8144(97) MHz, B = 2483.9183(35) MHz, and C = 2041.8630(21) MHz. The A rotational constant is only 1.5 MHz higher than that of Ar-C_3H_8 and, since the a-axis of the complex passes approximately through the centers of mass of the subunits, this indicates a similar relative orientation. Thus, we find that the CH_4 is located above the plane of the propane. The center-of-mass separation of the subunits in CH_4-C_3H_8 is calculated to be 3.993 Å, 0.16 Å longer than the Ar-C_3H_8 distance of 3.825 Å, a reasonable difference considering the larger van der Waals radius of CH_4. The four F-state lines, which were about twice as strong as the A-state lines, could be fitted to A, B, and C rotational constants, and further analysis is in progress.
Qing, Xinlin (Inventor); Beard, Shawn J. (Inventor); Li, Irene (Inventor)
2013-01-01
Sensors affixed to various such structures, where the sensors can withstand, remain affixed, and operate while undergoing both cryogenic temperatures and high vibrations. In particular, piezoelectric single crystal transducers are utilized, and these sensors are coupled to the structure via a low temperature, heat cured epoxy. This allows the transducers to monitor the structure while the engine is operating, even despite the harsh operating conditions. Aspects of the invention thus allow for real time monitoring and analysis of structures that operate in conditions that previously did not permit such analysis. A further aspect of the invention relates to use of piezoelectric single crystal transducers. In particular, use of such transducers allows the same elements to be used as both sensors and actuators.
Kvaternik, R. G.
1975-01-01
Two computational procedures for analyzing complex structural systems for their natural modes and frequencies of vibration are presented. Both procedures are based on a substructures methodology and both employ the finite-element stiffness method to model the constituent substructures. The first procedure is a direct method based on solving the eigenvalue problem associated with a finite-element representation of the complete structure. The second procedure is a component-mode synthesis scheme in which the vibration modes of the complete structure are synthesized from modes of substructures into which the structure is divided. The analytical basis of the methods contains a combination of features which enhance the generality of the procedures. The computational procedures exhibit a unique utilitarian character with respect to the versatility, computational convenience, and ease of computer implementation. The computational procedures were implemented in two special-purpose computer programs. The results of the application of these programs to several structural configurations are shown and comparisons are made with experiment.
Kawchuk, Gregory N; Hartvigsen, Jan; Edgecombe, Tiffany; Prasad, Narasimha; van Dieen, Jaap H
2016-03-11
Structural health monitoring (SHM) is an engineering technique used to identify mechanical abnormalities not readily apparent through other means. Recently, SHM has been adapted for use in biological systems, but its invasive nature limits its clinical application. As such, the purpose of this project was to determine if a non-invasive form of SHM could identify structural alterations in the spines of living human subjects. Lumbar spines of 10 twin pairs were visualized by magnetic resonance imaging then assessed by a blinded radiologist to determine whether twin pairs were structurally concordant or discordant. Vibration was then applied to each subject's spine and the resulting response recorded from sensors overlying lumbar spinous processes. The peak frequency, area under the curve and the root mean square were computed from the frequency response function of each sensor. Statistical analysis demonstrated that in twins whose structural appearance was discordant, peak frequency was significantly different between twin pairs while in concordant twins, no outcomes were significantly different. From these results, we conclude that structural changes within the spine can alter its vibration response. As such, further investigation of SHM to identify spinal abnormalities in larger human populations is warranted.
Kessentini, A; Ben Ahmed, A; Dammak, T; Belhouchet, M
2018-02-15
The current work undertakes the growth and the physicochemical properties of a novel green-yellow luminescence semi-organic material, the 3-picolylammonium bromide abbreviated (Pico-Br). In this paper, we report the X-ray diffraction measurements which show that the crystal lattice consists of distinct 3-picolylammonium cations and free bromide anions connected via NH⋯Br and NH⋯N hydrogen bonds leading to form a two dimensional frameworks. Molecular geometry compared with its optimized counterpart shows that the quantum chemical calculations carried out with density functional method (DFT) well produce the perceived structure by X-ray resolution of the studied material. To provide further insight into the spectroscopic properties, additional characterization of this material have been performed with Raman and infrared studies at room temperature. Theoretical computations have been computed using the (DFT) method at B3LYP/LanL2DZ level of theory implemented within Gaussian 03 program to study the vibrational spectra of the investigated molecule in the ground state. Optical absorption spectrum inspected by UV-visible absorption reveals the appearance of sharp optical gap of 280nm (4.42eV) as well as a strong green photoluminescence emission at 550nm (2.25eV) is detected on the photoluminescence (PL) spectrum at room temperature. Using the TD/DFT method, HOMO-LUMO energy gap and the Mulliken atomic charges were calculated in order to get an insight into the material. Good agreement between the theoretical results and the experimental ones was predicted. Copyright © 2017 Elsevier B.V. All rights reserved.
Kessentini, A.; Ben Ahmed, A.; Dammak, T.; Belhouchet, M.
2018-02-01
The current work undertakes the growth and the physicochemical properties of a novel green-yellow luminescence semi-organic material, the 3-picolylammonium bromide abbreviated (Pico-Br). In this paper, we report the X-ray diffraction measurements which show that the crystal lattice consists of distinct 3-picolylammonium cations and free bromide anions connected via Nsbnd H ⋯ Br and Nsbnd H ⋯ N hydrogen bonds leading to form a two dimensional frameworks. Molecular geometry compared with its optimized counterpart shows that the quantum chemical calculations carried out with density functional method (DFT) well produce the perceived structure by X-ray resolution of the studied material. To provide further insight into the spectroscopic properties, additional characterization of this material have been performed with Raman and infrared studies at room temperature. Theoretical computations have been computed using the (DFT) method at B3LYP/LanL2DZ level of theory implemented within Gaussian 03 program to study the vibrational spectra of the investigated molecule in the ground state. Optical absorption spectrum inspected by UV-visible absorption reveals the appearance of sharp optical gap of 280 nm (4.42 eV) as well as a strong green photoluminescence emission at 550 nm (2.25 eV) is detected on the photoluminescence (PL) spectrum at room temperature. Using the TD/DFT method, HOMO-LUMO energy gap and the Mulliken atomic charges were calculated in order to get an insight into the material. Good agreement between the theoretical results and the experimental ones was predicted.
Energy Technology Data Exchange (ETDEWEB)
Kachapina, L.M.; Kichigina, G.A.; Makhaev, V.D.; Borisov, A.P. (AN SSSR, Chernogolovka. Inst. Khimicheskoj Fiziki)
1981-10-01
The investigation results of IR and Raman spectra in the region of 600-170 cm/sup -1/ of molecular nitrogen complex-rhenium (1) chloro (dinitrogen) tetrakis (dimethyl-phenylphosphine)- Cl(PMe/sub 2/Ph)/sub 4/ReN/sub 2/ are presented. The IR spectra have been recorded using the ''Perkin-Elmer 325'' spectrophotometer. The samples have been prepared in the form of tablets with KBr (650-400 cm/sup -1/) and CsI (450-200 cm/sup -1/) and suspensions in vaseline oil. The Raman spectra have been measured using the ''Coderg-PHO'' spectrometer with the recording by FEhU-106. The samples have been taken in the form of polycrystals. The lines attributed to the valent vibration of the Re-N bond and deformation vibration of ReNN fragment have been identified in the spectra.
Uncertainty modeling in vibration, control and fuzzy analysis of structural systems
Halder, Achintya; Ayyub, Bilal M
1997-01-01
This book gives an overview of the current state of uncertainty modeling in vibration, control, and fuzzy analysis of structural and mechanical systems. It is a coherent compendium written by leading experts and offers the reader a sampling of exciting research areas in several fast-growing branches in this field. Uncertainty modeling and analysis are becoming an integral part of system definition and modeling in many fields. The book consists of ten chapters that report the work of researchers, scientists and engineers on theoretical developments and diversified applications in engineering sy
Vibration based structural assessment of the rehabilitation intervention in r.c. segmental bridge
Franchetti Paolo; Frizzarin Michele; Leonardi Andrea; Zeni Fabio
2015-01-01
A vibration based structural assessment campaign was carried out on a r.c. segmental bridge in North East Italy. The bridge has a cantilever static scheme, fixed at the top of the piers and with a hinge at the centre of the span. The particular configuration of the hinge consists in a couple of steel elements, each one composed by a tongue and groove joint. Since the year 1960, the hinge was subjected to consumption and degradation, that caused a malfunctioning of the device. An intervention ...
On a finite dynamic element method for free vibration analysis of structures
Gupta, K. K.
1976-01-01
This paper explores the concept of finite dynamic elements involving higher order dynamic correction terms in the associated stiffness and mass matrices. Such matrices are then developed for a rectangular prestressed membrane element. Next, efficient analysis techniques for the eigenproblem solution of the resulting quadratic matrix equations are described in detail. These are followed by suitable numerical examples which indicate that employment of such dynamic elements in conjunction with an efficient quadratic matric solution technique will result in a most significant economy in the free vibration analysis of structures.
Development of a block Lanczos algorithm for free vibration analysis of spinning structures
Gupta, K. K.; Lawson, C. L.
1988-01-01
This paper is concerned with the development of an efficient eigenproblem solution algorithm and an associated computer program for the economical solution of the free vibration problem of complex practical spinning structural systems. Thus, a detailed description of a newly developed block Lanczos procedure is presented in this paper that employs only real numbers in all relevant computations and also fully exploits sparsity of associated matrices. The procedure is capable of computing multiple roots and proves to be most efficient compared to other existing similar techniques.
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.
Cavagnat, Dominique; Claudon, Paul; Fischer, Lucile; Guichard, Gilles; Desbat, Bernard
2011-04-21
Ab initio calculations of two oligoureas stabilized in helix and sheet organization have been performed. The hydrogen bond distances were found to be almost the same for both structures. The vibrational assignment of the two oligourea structures and the direction of the transition moment of each vibration have been determined. From these results, and using the experimental isotropic optical index determined for one oligourea, we have established the anisotropic infrared optical files for the two structures. Interestingly, most urea absorptions vibrate in only one principal direction. Also, the shift of the carbonyl band is weaker and inverse to what was reported for corresponding protein secondary structures. Finally, simulations of the Polarization Modulation Infrared Reflection Absorption Spectroscopy (PMIRRAS) and Attenuated Reflection Spectroscopy (ATR) infrared spectra demonstrate the possibility to determine the orientation of the oligoureas in thin or ultrathin films, even if in some cases it may be difficult to unambiguously assign their secondary structure.
Badawi, Hassan M.; Förner, Wolfgang; Ali, Shaikh A.
2016-01-01
The structure, vibrational and NMR spectra of the local anesthetic drug lidocaine hydrochloride monohydrate salt were investigated by B3LYP/6-311G∗∗ calculations. The lidocaine·HCl·H2O salt is predicted to have the gauche structure as the predominant form at ambient temperature with NCCN and CNCC torsional angles of 110° and -123° as compared to 10° and -64°, respectively in the base lidocaine. The repulsive interaction between the two N-H bonds destabilized the gauche structure of lidocaine·HCl·H2O salt. The analysis of the observed vibrational spectra is consistent with the presence of the lidocaine salt in only one gauche conformation at room temperature. The 1H and 13C NMR spectra of lidocaine·HCl·H2O were interpreted by experimental and DFT calculated chemical shifts of the lidocaine salt. The RMSD between experimental and theoretical 1H and 13C chemical shifts for lidocaine·HCl·H2O is 2.32 and 8.21 ppm, respectively.
Anomaly detection for a vibrating structure: A subspace identification/tracking approach.
Candy, J V; Franco, S N; Ruggiero, E L; Emmons, M C; Lopez, I M; Stoops, L M
2017-08-01
Mechanical devices operating in noisy environments lead to low signal-to-noise ratios creating a challenging signal processing problem to monitor the vibrational signature of the device in real-time. To detect/classify a particular type of device from noisy vibration data, it is necessary to identify signatures that make it unique. Resonant (modal) frequencies emitted offer a signature characterizing its operation. The monitoring of structural modes to determine the condition of a device under investigation is essential, especially if it is a critical entity of an operational system. The development of a model-based scheme capable of the on-line tracking of structural modal frequencies by applying both system identification methods to extract a modal model and state estimation methods to track their evolution is discussed along with the development of an on-line monitor capable of detecting anomalies in real-time. An application of this approach to an unknown structural device is discussed illustrating the approach and evaluating its performance.
Kaloni, Thaneshwor P.
2013-11-01
This thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i. e. density functional theory)In Chapter III, we will introduce band gap opening in graphene either by introducing defects/doping or by creating superlattices with h-BN substrate. In Chapter IV, we will focus on the structural and electronic properties of K and Ge-intercalated graphene on SiC(0001). In addition, the enhancement of the superconducting transition temperature in Li-decorated graphene supported by h-BN substrate will be discussed. In Chapter V, we will discuss the vibrational properties of free-standing silicene. In addition, superlattices of silicene with h-BN as well as the phase transition in silicene by applying an external electric field will be discussed. The electronic and magnetic properties transition metal decorated silicene will be discussed, in particular the realization of the quantum anomalous Hall effect will be addressed. Furthermore, the structural, electronic, and magnetic properties of Mn decorated silicene supported by h-BN substrate will be discussed. The conclusion is included in Chapters VI. Finally, we will end with references and a list of publications for this thesis.
Phase influence of combined rotational and transverse vibrations on the structural response
Habtour, Ed; Sridharan, Raman; Dasgupta, Abhijit; Robeson, Mark; Vantadori, Sabrina
2018-02-01
The planar dynamic response of a cantilever metallic beam structure under combined harmonic base excitations (consisting of in-plane transverse and rotation about the out-of-plane transverse axis) was investigated experimentally. The important effect of the phase angle between the two simultaneous biaxial excitations on the beam tip displacement was demonstrated. The experiments were performed using a unique six degree-of-freedom (6-DoF) electrodynamic shaker with high control accuracy. The results showed that the beam tip displacement at the first flexural mode was amplified when the phase angle between the rotational and translational base excitations was increased. The beam nonlinear stiffness, on the other hand, simultaneously: (i) decreased due to fatigue damage accumulation, and (ii) increased due to an increase in the phase angle. The results were compared to the uniaxial excitation technique, where the principle of superposition was applied (mathematical addition of the structural response for each uniaxial excitation). The principle of superposition was shown to overestimate the structural response for low phase angles. Thus, the application of the superposition vibration testing as a substitute for multiaxial vibration testing may lead to over-conservatism and erroneous dynamic and reliability predictions.
Energy Technology Data Exchange (ETDEWEB)
Bouteiller, Y. [Universite Paris-Nord, CNRS, Laboratoire de Physique des Lasers UMR 7538, 93430 Villetaneuse (France); Tremblay, B. [UPMC Universite Pierre et Marie Curie, UMR 7075, Laboratoire de Dynamique, Interactions et Reactivite (LADIR), F-75005 Paris (France); CNRS, UMR 7075, Laboratoire de Dynamique, Interactions et Reactivite (LADIR), F-75005 Paris (France); Perchard, J.P., E-mail: jpp@spmol.jussieu.fr [UPMC Universite Pierre et Marie Curie, UMR 7075, Laboratoire de Dynamique, Interactions et Reactivite (LADIR), F-75005 Paris (France); CNRS, UMR 7075, Laboratoire de Dynamique, Interactions et Reactivite (LADIR), F-75005 Paris (France)
2011-07-28
Graphical abstract: The spectrum of the water dimer trapped in neon has been recorded and analysed up to 14,000 cm{sup -1}. Highlights: {yields} Observation of the vibrational spectrum of the water dimer from the far infrared to the visible. {yields} Assignment based on {sup 18}O/{sup 16}O shift and on approximate values of anharmonicity coefficients. {yields} Calculations in the framework of the second-order perturbation - resonance theory. - Abstract: The infrared spectrum of the water dimer trapped in solid neon has been recorded up to the visible by improving significantly the experimental technique used in a previous paper [Y. Bouteiller, J.P. Perchard, Chem. Phys. 305 (2004) 1]. A total of 22 intramolecular transitions of the proton donor (PD) and 23 of the proton acceptor (PA) are now identified and assigned on the basis of {sup 16}O/{sup 18}O isotopic shifts and of realistic anharmonicity corrections. From an ab initio determination of the potential energy a perturbation-resonance treatment has been carried out for each polyad P{sub n}, n = 2-8. Finally combinations of intra + intermolecular transitions were identified and assigned on the basis of calculated anharmonicity coefficients.
McCoy, Anne B; Diken, Eric G; Johnson, Mark A
2009-07-02
An approach is described for calculating anharmonic spectra for polyatomic molecules using only the ground-state probability amplitude. The underlying theory is based on properties of harmonic oscillator wave functions and is tested for Morse oscillators with a range of anharmonicities. More extensive tests are performed with H(3)O(2)(-), using the potential and dipole surfaces of Bowman and co-workers [J. Am. Chem. Soc. 2004, 126, 5042]. The resulting energies are compared to earlier studies that employed the same potential surface, and the agreement is shown to be very good. The vibrational spectra are calculated for both H(3)O(2)(-) and D(3)O(2)(-). In the case of H(3)O(2)(-), comparisons are made with a previously reported experimental spectrum below 2000 cm(-1). We also report the spectrum of H(3)O(2)(-) from 2400-4500 cm(-1), which extends 500 cm(-1) above the region reported earlier, revealing several new bands. As the only fundamentals in this spectral region involve the OH stretches, the spectrum is surprisingly rich. On the basis of comparisons of the experimental and calculated spectra, assignments are proposed for several of the features in this spectral region.
Vibration Analysis of a Framework Structure by Generalized Transfer Stiffness Coefficient Method
Bonkobara, Yasuhiro; Kondou, Takahiro; Ayabe, Takashi; Choi, Myung-Soo
A generalized transfer stiffness coefficient method using graph theory is developed in order to improve the applicability of the transfer stiffness coefficient method. In the new method, an analytical model is expressed by a weighted signal-flow graph, and the graph is contracted according to the series and parallel contraction rules. The computational complexity and the memory requirement for the contraction process are both minimized by choosing the optimal contraction route. In addition, it is possible to develop a data-driving program that is applicable to various structures without updating the source program. An algorithm based on the present method is formulated for the in-plane longitudinal and flexural coupled free and forced vibration analyses of a two-dimensional framework structure. Furthermore, an overview for applying the method to a three-dimensional framework structure is briefly presented. The validity of the present algorithm is confirmed by the results of numerical computations.
Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure
Energy Technology Data Exchange (ETDEWEB)
Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)
2016-05-06
A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.
Zeng, Baoping; Liu, Jipeng; Zhang, Yu; Gong, Yajun; Hu, Sanbao
2017-12-01
Deepwater robots are important devices for human to explore the sea, which is being under development towards intellectualization, multitasking, long-endurance and large depth along with the development of science and technology. As far as a deep-water robot is concerned, its mechanical systems is an important subsystem because not only it influences the instrument measuring precision and shorten the service life of cabin devices but also its overlarge vibration and noise lead to disadvantageous effects to marine life within the operational area. Therefore, vibration characteristics shall be key factor for the deep-water robot system design. The sample collection and recycling system of some certain deepwater robot in a mechanism for opening the underwater cabin door for external operation and recycling test equipment is focused in this study. For improving vibration characteristics of locations of the cabin door during opening processes, a vibration model was established to the opening system; and the structural optimization design was carried out to its important structures by utilizing the multi-objective shape optimization and topology optimization method based on analysis of the system vibration. Analysis of characteristics of exciting forces causing vibration was first carried out, which include characteristics of dynamic loads within the hinge clearances and due to friction effects and the fluid dynamic exciting forces during processes of opening the cabin door. Moreover, vibration acceleration responses for a few important locations of the devices for opening the cabin cover were deduced by utilizing the modal synthesis method so that its rigidity and modal frequency may be one primary factor influencing the system vibration performances based on analysis of weighted acceleration responses. Thus, optimization design was carried out to the cabin cover by utilizing the multi-objective topology optimization method to perform reduction of weighted accelerations
Vibration Control of Structures using Vibro-Impact Nonlinear Energy Sinks
Directory of Open Access Journals (Sweden)
M. Ahmadi
2016-09-01
Full Text Available Using Vibro-Impact Nonlinear Energy Sinks (VI NESs is one of the novel strategies to control structural vibrations and mitigate their seismic response. In this system, a mass is tuned on the structure floor, so that it has a specific distance from an inelastic constraint connected to the floor mass. In case of structure stimulation, the displaced VI NES mass collides with the inelastic constraint and upon impacts, energy is dissipated. In the present work, VI NES is studied when its parameters, including clearance and stiffness ratio, are simultaneously optimized. Harmony search as a recent meta-heuristic algorithm is efficiently specialized and utilized for the aforementioned continuous optimization problem. The optimized attached VI NES is thus shown to be capable of interacting with the primary structure over a wide range of frequencies. The resulting controlled response is then investigated, in a variety of low and medium rise steel moment frames, via nonlinear dynamic time history analyses. Capability of the VI NES to dissipate siesmic input energy of earthquakes and their capabilitiy in reducing response of srtructures effectively, through vibro-impacts between the energy sink’s mass and the floor mass, is discussed by extracting several performance indices and the corresponding Fourier spectra. Results of the numerical simulations done on some structural model examples reveal that the optimized VI NES has caused successive redistribution of energy from low-frequency high-amplitude vibration modes to high-frequency low-amplitude modes, bringing about the desired attenuation of the structural responses.
Hydrogen Bonds and Vibrations of Water on (110) Rutile
Energy Technology Data Exchange (ETDEWEB)
Kumar, Nitin [ORNL; Neogi, Sanghamitra [Pennsylvania State University; Kent, Paul R [ORNL; Bandura, Andrei V. [St. Petersburg State University, St. Petersburg, Russia; Wesolowski, David J [ORNL; Cole, David R [ORNL; Sofo, Jorge O. [Pennsylvania State University
2009-01-01
We study the relation between hydrogen bonding and the vibrational frequency spectra of water on the (110) surface of rutile (α-TiO2) with three structural layers of adsorbed water. Using ab-initio molecular dynamics simulations at 280, 300 and 320K, we find strong, crystallographically-controlled adsorption sites, in general agreement with synchrotron X-ray and classical MD simulations. We demonstrate that these sites are produced by strong hydrogen bonds formed between the surface oxygen atoms and sorbed water molecules. The strength of these bonds is manifested by substantial broadening of the stretching mode vibrational band. The overall vibrational spectrum obtained from our simulations is in good agreement with inelastic neutron scattering experiments. We correlate the vibrational spectrum with different bonds at the surface in order to transform these vibrational measurements into a spectroscopy of surface interactions.
Directory of Open Access Journals (Sweden)
Ming-Chang Pai
2012-01-01
Full Text Available Input shaping technique is widely used in reducing or eliminating residual vibration of flexible structures. The exact elimination of the residual vibration via input shaping technique depends on the amplitudes and instants of impulse application. However, systems always have parameter uncertainties which can lead to performance degradation. In this paper, a closed-loop input shaping control scheme is developed for uncertain flexible structures. The algorithm is based on input shaping control and adaptive sliding mode control. The proposed scheme does not need a priori knowledge of upper bounds on the norm of the uncertainties, but estimates them by using the adaptation technique. This scheme guarantees closed-loop system stability, and yields good performance and robustness in the presence of parameter uncertainties and external disturbances as well. Furthermore, it is shown that increasing the robustness to parameter uncertainties does not lengthen the duration of the impulse sequence. Simulation results demonstrate the efficacy of the proposed closed-loop input shaping control scheme.
Directory of Open Access Journals (Sweden)
Jeffrey D. Poston
2017-11-01
Full Text Available Counting the number of occupants in building areas over time—occupancy tracking—provides valuable information for responding to emergencies, optimizing thermal conditions or managing personnel. This capability is distinct from tracking individual building occupants as they move within a building, has lower complexity than conventional tracking algorithms require, and avoids privacy concerns that tracking individuals may pose. The approach proposed here is a novel combination of data analytics applied to measurements from a building’s structural dynamics sensors (e.g., accelerometers or geophones. Specifically, measurements of footstep-generated structural waves provide evidence of occupancy in a building area. These footstep vibrations can be distinguished from other vibrations, and, once identified, the footsteps can be located. These locations, in turn, form the starting point of estimating occupancy in an area. In order to provide a meaningful occupancy count, however, it is first necessary to associate discrete footsteps with individuals. The proposed framework incorporates a tractable algorithm for this association task. The proposed algorithms operate online, updating occupancy count over time as new footsteps are detected. Experiments with measurements from a public building illustrate the operation of the proposed framework. This approach offers an advantage over others based on conventional technologies by avoiding the cost of a separate sensor system devoted to occupancy tracking.
Analysis of subsystem randomness effects on the mid-frequency vibrations of built-up structures
Ji, Lin; Huang, Zhenyu
2013-06-01
The paper concerns the analysis of subsystem randomness effects on the mid-frequency vibration responses of built-up systems. The system model considered, in the first instance, is a long-wavelength finite element (FE) subsystem connected with a short-wavelength statistical energy analysis (SEA) subsystem via discrete couplings. The randomness effects of the SEA subsystem on both the displacement response of the FE subsystem and the energy response of the SEA subsystem are then investigated under the frame of the hybrid FE/SEA theory [P. Shorter, R. Langley, Vibro-acoustic analysis of complex systems, Journal of Sound and Vibration, 288 (2005) 669-700]. It is found that the subsystem randomness effects may be well indicated by a dimensionless parameter α, which is a function of the number of coupling points, the dynamic mismatch between the FE and SEA subsystems and the modal overlap factor of the SEA subsystem. The smaller the value of α is, the more insignificant the randomness effects are. As a result, a so-called "α-criterion" is derived which states that, if a built-up structure satisfies the condition of α≪1, the randomness effects of the SEA subsystem can be neglected. In this case, the SEA subsystem can be simply treated as an infinite (or semi-infinite as appropriate) structure regardless of its mode count being sufficiently high or not. Numerical examples are presented to illustrate the validity of the present theory.
Niga, Petru; Wakeham, Deborah; Nelson, Andrew; Warr, Gregory G; Rutland, Mark; Atkin, Rob
2010-06-01
X-ray reflectivity and vibrational sum frequency spectroscopy are used to probe the structure of the ethylammonium nitrate (EAN)-air interface. X-ray reflectivity reveals that the EAN-air interface is structured and consists of alternating nonpolar and charged layers that extend 31 A into the bulk. Vibrational sum frequency spectroscopy reveals interfacial cations have their ethyl moieties oriented toward air, with the CH(3) C(3) axis positioned approximately 36.5 degrees from interface normal. This structure is invariant between 15 and 51 degrees C. On account of its molecular symmetry, the orientation of the nitrate anion cannot be determined with certainty.
Band structure in bulk entanglement spectrum of quantum Hall state
Lu, Chi-Ken; Chiou, D.-W.; Lin, F.-L.
We study the bulk entanglement spectrum of integer quantum Hall state with a symmetric checkerboard partition of space. By reformulating the correlation matrix in a guiding center representation, we show that the problem is mapped to a two-dimensional lattice with unit vector determined by the field and partition grid. The bulk entanglement spectrum shows the particle-hole symmetry and the band touching, whic are related to the dual symmetry of partition and the Chern number, respectively. The work was supported by Ministry of Science and Technology Taiwan.
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.
Energy Technology Data Exchange (ETDEWEB)
Woods, K.
2005-01-14
Using an intense source of far-infrared radiation, the absorption spectrum of liquid water is measured at a temperature ranging from 269 to 323 K. In the infrared spectrum we observe modes that are related to the local structure of liquid water. Here we present a FIR measured spectrum that is sensitive to the low frequency (< 100cm{sup -1}) microscopic details that exist in liquid water.
Vibration transmission through periodic structures using a mobility power flow approach
Cuschieri, J. M.
1990-01-01
The transmission of vibrational power (time averaged) through multiple coupled (periodic) structures is examined. The analysis is performed in the frequency domain and the coupling between the sub-elements of the periodic structure is expressed in terms of structural mobility functions for the junction points and between the junction points of the sub-elements. Equal length spans between stiffeners or supports of the periodic structure are considered. Through the use of the mobility power flow approach, the influence of sub-element and junction parameters, including damping at the joints, can be investigated. The results from the analysis can be in the form of either structural intensity or alternatively structural power content for each of the sub-elements. The examples discussed are for a thin, perfectly periodic beam with a finite number of spans with different types of stiffeners and/or supports between the spans. The excitation of the structure is by a point load located midway along the first span.
Space structure vibration modes: How many exist? Which ones are important?
Hughes, P. C.
1984-01-01
This report attempts to shed some light on the two issues raised in the title, namely, how many vibration modes does a real structure have, and which of these modes are important? The surprise-free answers to these two questions are, respectively, an infinite number and the first several modes. The author argues that the absurd subspace (all but the first billion modes) is not a strength of continuum modeling, but, in fact, a weakness. Partial differential equations are not real structures, only mathematical models. This note also explains (1) that the PDE model and the finite element model are, in fact, the same model, the latter being a numerical method for dealing with the former, (2) that modes may be selected on dynamical grounds other than frequency alone, and (3) that long slender rods are useful as primitive cases but dangerous to extrapolate from.
Panman, Matthijs R; Vos, Jannie; Bocokić, Vladica; Bellini, Rosalba; de Bruin, Bas; Reek, Joost H N; Woutersen, Sander
2013-12-16
Catalytic transition-metal complexes often occur in several conformations that exchange rapidly (
Numerical solution of quadratic matrix equations for free vibration analysis of structures
Gupta, K. K.
1975-01-01
This paper is concerned with the efficient and accurate solution of the eigenvalue problem represented by quadratic matrix equations. Such matrix forms are obtained in connection with the free vibration analysis of structures, discretized by finite 'dynamic' elements, resulting in frequency-dependent stiffness and inertia matrices. The paper presents a new numerical solution procedure of the quadratic matrix equations, based on a combined Sturm sequence and inverse iteration technique enabling economical and accurate determination of a few required eigenvalues and associated vectors. An alternative procedure based on a simultaneous iteration procedure is also described when only the first few modes are the usual requirement. The employment of finite dynamic elements in conjunction with the presently developed eigenvalue routines results in a most significant economy in the dynamic analysis of structures.
Low-frequency and wideband vibration energy harvester with flexible frame and interdigital structure
Energy Technology Data Exchange (ETDEWEB)
Li, Pengwei, E-mail: lipengwei@tyut.edu.cn; Wang, Yanfen; Luo, Cuixian; Li, Gang; Hu, Jie; Zhang, Wendong [MicroNano System Research Center of College of Information Engineering and Key Lab of Advanced Transducers and Intelligent Control System of the Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Liu, Ying [MicroNano System Research Center of College of Information Engineering and Key Lab of Advanced Transducers and Intelligent Control System of the Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Baicheng Ordnance Test Center of China, Baicheng 137000, Jilin (China); Liu, Wei [Baicheng Ordnance Test Center of China, Baicheng 137000, Jilin (China)
2015-04-15
As an alternative to traditional cantilever beam structures and their evolutions, a flexible beam based, interdigital structure, vibration energy harvester has been presented and investigated. The proposed interdigital-shaped oscillator consists of a rectangular flexible frame and series of cantilever beams interdigitally bonded to it. In order to achieve low frequency and wide-bandwidth harvesting, Young’s modulus of materials, frame size and the amount of the cantilevers have been studied systematically. The measured frequency responses of the designed device (PDMS frame, quintuple piezoelectric cantilever beams) show a 460% increase in bandwidth below 80Hz. When excited at an acceleration of 1.0 g, the energy harvester achieves to a maximum open-circuit voltage of 65V, and the maximum output power 4.5 mW.
Low-frequency and wideband vibration energy harvester with flexible frame and interdigital structure
Directory of Open Access Journals (Sweden)
Pengwei Li
2015-04-01
Full Text Available As an alternative to traditional cantilever beam structures and their evolutions, a flexible beam based, interdigital structure, vibration energy harvester has been presented and investigated. The proposed interdigital-shaped oscillator consists of a rectangular flexible frame and series of cantilever beams interdigitally bonded to it. In order to achieve low frequency and wide-bandwidth harvesting, Young’s modulus of materials, frame size and the amount of the cantilevers have been studied systematically. The measured frequency responses of the designed device (PDMS frame, quintuple piezoelectric cantilever beams show a 460% increase in bandwidth below 80Hz. When excited at an acceleration of 1.0 g, the energy harvester achieves to a maximum open-circuit voltage of 65V, and the maximum output power 4.5 mW.
Red shift of the SF6 vibration spectrum induced by the electron absorption: An ab initio study
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Bin Tang
2018-01-01
Full Text Available As a widely used gas insulator, sulfur hexafluoride (SF6 has a large cross section for electron absorption, which may make the molecule ionized to the -1 charge state in the high-voltage environment. Using ab initio calculations, we show that the absorbed electron is located averagely on the six F atoms, occupying the antibonding level of the s-p σ bonds and increasing the S-F bond length. The ionized SF6- molecule decreases its decomposition energy to only 1.5 eV, much lower than that of the neutral molecule (4.8 eV, which can be understood according to the occupying of the antibonding orbital and thus weakening of the s-p σ bonds. The weakening of the bonds results in an obvious red shift in the vibrational modes of the ionized SF6- molecule by 120-270 cm-1, compared to those of the neutral molecule. The detailed origin of these vibrational modes is analyzed. Since the appearance of the ionized SF6- molecules is before the decomposition reaction of the SF6- molecule into low-fluoride sulfides, this method may improve the sensitivity of the defection of the partial discharge and save more time for the prevention of the insulation failure in advance.
DEFF Research Database (Denmark)
Vendrell, Oriol; Gatti, Fabien; Meyer, Hans-Dieter
2007-01-01
The infrared absorption spectrum of the protonated water dimer (H5O2+) is simulated in full dimensionality (15 dimensional) in the spectral range of 0-4000 cm(-1). The calculations are performed using the multiconfiguration time-dependent Hartree (MCTDH) method for propagation of wavepackets. All...
Vibrational analysis of Fourier transform spectrum of the A3Π0–X1Σ ...
Indian Academy of Sciences (India)
Abstract. The emission spectrum of InBr molecule has been recorded in the region. 350–400 nm on BOMEM DA8 Fourier transform spectrometer at an apodized resolu- tion of 0.06 cm−1 using microwave excitation technique. About 61 violet degraded and single headed bands have been recorded and are classified into ...
Energy Technology Data Exchange (ETDEWEB)
Granger, S.; Perotin, L. [Electricite de France (EDF), 78 - Chatou (France)
1997-12-31
Maintaining the PWR components under reliable operating conditions requires a complex design to prevent various damaging processes, including fatigue and wear problems due to flow-induced vibration. In many practical situations, it is difficult, if not impossible, to perform direct measurements or calculations of the external forces acting on vibrating structures. Instead, vibrational responses can often be conveniently measured. This paper presents an inverse method for estimating a distributed random excitation from the measurement of the structural response at a number of discrete points. This paper is devoted to the presentation of the theoretical development. The force identification method is based on a modal model for the structure and a spatial orthonormal decomposition of the excitation field. The estimation of the Fourier coefficients of this orthonormal expansion is presented. As this problem turns out to be ill-posed, a regularization process is introduced. The minimization problem associated to this process is then formulated and its solutions is developed. (author) 17 refs.
Variation in the structure of a time-dependent SRS spectrum in microfiltered water
Babenko, V. A.; Bunkin, N. F.; Sychev, A. A.
2017-11-01
The time-dependent stimulated Raman scattering of light in water subjected to structural transformation by track membrane microfiltration is investigated. It is shown that the probability of SRS at the frequency of the ice spectral component in the band of stretching OH vibrations of water molecules decreases as a result of water filtration.
Energy Technology Data Exchange (ETDEWEB)
Sharpes, Nathan; Kumar, Prashant [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Abdelkefi, Abdessattar; Abdelmoula, Hichem [Department of Mechanical and Aerospace Engineering, New Mexico State University, Las Cruces, New Mexico 88003 (United States); Adler, Jan [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Institute of Dynamics and Vibration Research (IDS), Leibniz Universität, Hannover 30167 (Germany); Priya, Shashank [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Bio-Inspired Materials and Devices Laboratory (BMDL), Virginia Tech, Blacksburg, Virginia 24061 (United States)
2016-07-18
Mode shapes in the design of mechanical energy harvesters, as a means of performance increase, have been largely overlooked. Currently, the vast majority of energy harvester designs employ some variation of a single-degree-of-freedom cantilever, and the mode shapes of such beams are well known. This is especially true for the first bending mode, which is almost exclusively the chosen vibration mode for energy harvesting. Two-dimensional beam shapes (those which curve, meander, spiral, etc., in a plane) have recently gained research interest, as they offer freedom to modify the vibration characteristics of the harvester beam for achieving higher power density. In this study, the second bending mode shape of the “Elephant” two-dimensional beam shape is examined, and its interaction with the first bending mode is evaluated. A combinatory mode shape created by using mass loading structural modification to lower the second bending modal frequency was found to interact with the first bending mode. This is possible since the first two bending modes do not share common areas of displacement. The combined mode shape is shown to produce the most power of any of the considered mode shapes.
Numerical calculation of acoustic radiation from band-vibrating structures via FEM/FAQP method
Directory of Open Access Journals (Sweden)
GAO Honglin
2017-08-01
Full Text Available The Finite Element Method (FEM combined with the Frequency Averaged Quadratic Pressure method (FAQP are used to calculate the acoustic radiation of structures excited in the frequency band. The surface particle velocity of stiffened cylindrical shells under frequency band excitation is calculated using finite element software, the normal vibration velocity is converted from the surface particle velocity to calculate the average energy source (frequency averaged across intensity, frequency averaged across pressure and frequency averaged across velocity, and the FAQP method is used to calculate the average sound pressure level within the bandwidth. The average sound pressure levels are then compared with the bandwidth using finite element and boundary element software, and the results show that FEM combined with FAQP is more suitable for high frequencies and can be used to calculate the average sound pressure level in the 1/3 octave band with good stability, presenting an alternative to applying frequency-by-frequency calculation and the average frequency process. The FEM/FAQP method can be used as a prediction method for calculating acoustic radiation while taking the randomness of vibration at medium and high frequencies into consideration.
Fernández, David; Parlak, Cemal; Bilge, Metin; Kaya, Mehmet Fatih; Tursun, Mahir; Keşan, Gürkan; Rhyman, Lydia; Ramasami, Ponnadurai; Şenyel, Mustafa
2017-09-01
The halogen and solvent effects on the structure of 4-bromo-2-halogenobenzaldehydes [C7H4BrXO; X = F (BFB), Cl (BCB) or Br (BBB)] were investigated by the density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods. The B3LYP functional and HF and MP2 levels of theory were used with the 6-311+G(3df,p) or aug-cc-pVDZ basis sets. Computations were focused on the cis and trans conformers of the investigated compounds in the gas phase and solutions of 18 different polar or non-polar organic solvents. The computed frequencies of the C=O stretching vibration of the compounds were correlated with some empirical solvent parameters such as the Kirkwood-Bauer-Magat (KBM) equation, solvent acceptor number (AN), Swain parameters and linear solvation energy relationships (LSERs). The electronic properties of the compounds were also examined. The present work explores the effects of the medium and halogen on the conformation, geometrical parameters, dipole moment, ν(C=O) vibration, UV data, frontier orbitals and density-of-states diagram of the compounds. The findings of this research can be useful for studies on benzaldehydes.
Optical Fourier transform based in-plane vibration characterization for MEMS comb structure.
Gao, Yongfeng; Cao, Liangcai; You, Zheng; Zhao, Jiahao; Zhang, Zichen; Yang, Jianzhong
2013-02-25
On-line and on-wafer characterizations of mechanical properties of Micro-Electro-Mechanical-System (MEMS) with efficiency are very important to the mass production of MEMS foundry in the near future. However, challenges still remain. In this paper, we present an in-plane vibration characterizing method for MEMS comb using optical Fourier transform (OFT). In the experiment, the intensity distribution at the focal plane was captured to characterize the displacement of the vibrator in the MEMS comb structure. A typical MEMS comb was tested to verify the principle. The shape and the movement of MEMS comb was imitated and tested to calibrate the measurement by using a spatial light modulator (SLM). The relative standard deviations (RSD) of the measured displacements were better than 5%, where the RSD is defined as the ratio of the standard deviation to the mean. It is convinced that the presented method is feasible for on-line and on-wafer characterizations for MEMS with great convenience, high efficiency and low cost.
A disk-pivot structure micro piezoelectric actuator using vibration mode B11.
Chu, Xiangcheng; Ma, Long; Li, Longtu
2006-12-22
Micro piezoelectric actuator using vibration mode B(11) (B(mn), where m is the number of nodal circles, n is the nodal diameters) is designed. Different from conventional wobble-type ultrasonic motor using piezoelectric rod or cylinder, piezoelectric disc is used to excite wobble modes and metal cylinder stator is used to amplify the transverse displacement, metal rod rotor is actuated to rotate. The outer diameter of the actuator is 14mm. There are features such as low drive voltage, micromation, and convenient control of wobble state by modifying the structure of stator, etc. Finite element analysis (FEA) of the stator has been made. It is found that the resonant frequency of vibration mode B(11) is 49.03kHz, which is measured at 45.7kHz by the laser vibrometer and impedance analyzer. The rotation speed has been measured, which could be as high as 10,071rpm under an alternating current 100V. Such piezoelectric actuator can be optimized and adjusted to fit practical conditions. It can be applied in the fields of precise instrument, bioengineering and other micro actuator system.
Directory of Open Access Journals (Sweden)
Zhengjie Zhou
2010-01-01
Full Text Available Precast, prestressed concrete box girders are commonly used as superstructure components for short and medium span bridges. Their configuration and typical side-by-side placement make large portions of these elements inaccessible for visual inspection or the application of nondestructive testing techniques. This paper demonstrates that vibration-based damage detection (VBDD is an effective alternative for monitoring their structural health. A box girder removed from a dismantled bridge was used to evaluate the ability of five different VBDD algorithms to detect and localize low levels of spalling damage, with a focus on using a small number of sensors and only the fundamental mode of vibration. All methods were capable of detecting and localizing damage to a region within approximately 1.6 times the longitudinal spacing between as few as six uniformly distributed accelerometers. Strain gauges configured to measure curvature were also effective, but tended to be susceptible to large errors in near support damage cases. Finite element analyses demonstrated that increasing the number of sensor locations leads to a proportional increase in localization accuracy, while the use of additional modes provides little advantage and can sometimes lead to a deterioration in the performance of the VBDD techniques.
Vibration Analysis and Models of Adjacent Structures Controlled by Magnetorheological Dampers
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Michela Basili
2017-01-01
Full Text Available This paper deals with the vibration analysis of adjacent structures controlled by a magnetorheological (MR damper and with the discussion of a numerical procedure for identification and definition of a reliable finite element model. The paper describes an extensive experimental campaign investigating the dynamic response, through shaking table tests, of a tridimensional four-story structure and a two-story structure connected by an MR device. Several base excitations and intensity levels are considered. The structures were tested in nonconnected and connected configuration, with the MR damper operating in passive or semiactive mode. Moreover, the paper illustrates a procedure for the structural identification and the definition of a reliable numerical model valid for adjacent structures connected by MR dampers. The procedure is applied in the original nonconnected configuration, which represents a linear system, and then in the connected configuration, which represents a nonlinear system due to the MR damper. In the end, the updated finite element model is reliable and suitable for all the considered configurations and the mass, damping, and stiffness matrices are derived. The experimental and numerical responses are compared and the results confirm the effectiveness of the identification procedure and the validation of the finite element model.
Li, Yanbin; Mulani, Sameer B.; Kapania, Rakesh K.; Fei, Qingguo; Wu, Shaoqing
2017-07-01
An algorithm that integrates Karhunen-Loeve expansion (KLE) and the finite element method (FEM) is proposed to perform non-stationary random vibration analysis of structures under excitations, represented by multiple random processes that are correlated in both time and spatial domains. In KLE, the auto-covariance functions of random excitations are discretized using orthogonal basis functions. The KLE for multiple correlated random excitations relies on expansions in terms of correlated sets of random variables reflecting the cross-covariance of the random processes. During the response calculations, the eigenfunctions of KLE used to represent excitations are applied as forcing functions to the structure. The proposed algorithm is applied to a 2DOF system, a 2D cantilever beam and a 3D aircraft wing under both stationary and non-stationary correlated random excitations. Two methods are adopted to obtain the structural responses: a) the modal method and b) the direct method. Both the methods provide the statistics of the dynamic response with sufficient accuracy. The structural responses under the same type of correlated random excitations are bounded by the response obtained by perfectly correlated and uncorrelated random excitations. The structural response increases with a decrease in the correlation length and with an increase in the correlation magnitude. The proposed methodology can be applied for the analysis of any complex structure under any type of random excitation.
Carr, J. K.; Buchanan, L. E.; Schmidt, J. R.; Zanni, M. T.; Skinner, J. L.
2013-01-01
Urea/water is an archetypical “biological” mixture, and is especially well known for its relevance to protein thermodynamics, as urea acts as a protein denaturant at high concentration. This behavior has given rise to an extended debate concerning urea’s influence on water structure. Based on a variety of methods and of definitions of water structure, urea has been variously described as a structure-breaker, a structure-maker, or as remarkably neutral towards water. Because of its sensitivity to microscopic structure and dynamics, vibrational spectroscopy can help resolve these debates. We report experimental and theoretical spectroscopic results for the OD stretch of HOD/H2O/urea mixtures (linear IR, 2DIR, and pump-probe anisotropy decay) and for the CO stretch of urea-D4/D2O mixtures (linear IR only). Theoretical results are obtained using existing approaches for water, and a modification of a frequency map developed for acetamide. All absorption spectra are remarkably insensitive to urea concentration, consistent with the idea that urea only very weakly perturbs water structure. Both this work and experiments by Rezus and Bakker, however, show that water’s rotational dynamics are slowed down by urea. Analysis of the simulations casts doubt on the suggestion that urea immobilizes particular doubly hydrogen bonded water molecules. PMID:23841646
Foster, Nicholas E V; Doyle-Thomas, Krissy A R; Tryfon, Ana; Ouimet, Tia; Anagnostou, Evdokia; Evans, Alan C; Zwaigenbaum, Lonnie; Lerch, Jason P; Lewis, John D; Hyde, Krista L
2015-10-01
Autism spectrum disorder is a complex neurodevelopmental disorder characterized by impaired social interaction and communication, repetitive behaviors, and restricted interests. Gray matter differences linked to autism spectrum disorder have been studied using a variety of structural imaging methods, but yielded little consensus; the extent to which disparate results reflect differences in methodology or heterogeneity within autism spectrum disorder is not yet clear. Moreover, very few studies have examined gray matter changes as a function of age in autism spectrum disorder. A detailed investigation of gray matter structural development was performed via voxel-based morphometry, cortical thickness, and cortical surface area analyses in 38 autism spectrum disorder versus 46 typically developing children. Relative to typically developing children, the autism spectrum disorder group showed gray matter increases most prominently in the frontal and temporal lobes (including regions such as medial frontal gyrus, Broca's area and posterior temporal cortex), as well as certain parietal and occipital subcortical regions. Gray matter decreases were found only near the temporoparietal junction. Subcortical gray matter increases were found in the putamen and caudate nucleus, while decreases were found in cerebellum. There were age-dependent GM differences in distributed regions including prefrontal cortex, primary sensorimotor cortex, and temporoparietal junction. The results underline the distributed nature of gray matter structural differences in autism spectrum disorder and provide a more comprehensive characterization of autism spectrum disorder-related cortical and subcortical gray matter structural differences during childhood and adolescent development. Copyright © 2015 Elsevier Inc. All rights reserved.
Structure of the extended-spectrum β-lactamase TEM-72 inhibited by citrate
Docquier, Jean-Denis; Benvenuti, Manuela; Calderone, Vito; Rossolini, Gian-Maria; Mangani, Stefano
2011-01-01
TEM-72 is a quadruple mutant of TEM-1 and shows extended-spectrum β-lactamase properties. The present structure shows the presence of a citrate anion bound to the TEM-72 active site and supports the use of polycarboxylates as a scaffold for the design of broad-spectrum inhibitors of serine β-lactamases.
Mathammal, R.; Sangeetha, K.; Sangeetha, M.; Mekala, R.; Gadheeja, S.
2016-09-01
In this study, we report a combined experimental and theoretical study on molecular structure and vibrational spectra of 3,5 di tert butyl 4 hydroxy benzoic acid. The properties of title compound have been evaluated by quantum chemical calculation (DFT) using B3LYP functional and 6-31 + G (d, p) as basis set. IR Spectra has been recorded using Fourier transform infrared spectroscopy (FT-IR) in the region 4000-400 cm-1. The vibrational assignment of the calculated normal modes has been made on the basis set. The isotropic chemical shifts computed by 13C and 1H NMR (Nuclear Magnetic Resonance) analyses also show good agreement with experimental observations. The theoretical UV-Vis spectrum of the compound are used to study the visible absorption maxima (λ max). The structure activity relationship have been interpreted by mapping electrostatic potential surface (MEP), which is valuable information for the quality control of medicines and drug receptor interactions. The Mullikan charges, HOMO (Highest Occupied Molecular Orbital) - LUMO (Lowest Unoccupied Molecular Orbital) energy are analyzed. HOMO-LUMO energy gap and other related molecular properties are also calculated. The Natural Bond Orbital (NBO) analysis is carried out to investigate the various intra and inter molecular interactions of molecular system. The Non-linear optical properties such as dipole moment (μ), polarizability (αtot) and molecular first order hyperpolarizability (β) of the title compound are computed with B3LYP/6-31 + G (d,p) level of theory.
Directory of Open Access Journals (Sweden)
Jiménez-Alonso, J. F.
2014-12-01
Full Text Available Although the scientific community had knowledge of the human induced vibration problems in structures since the end of the 19th century, it was not until the occurrence of the vibration phenomenon happened in the Millennium Bridge (London, 2000 that the importance of the problem revealed and a higher level of attention devoted. Despite the large advances achieved in the determination of the human-structure interaction force, one of the main deficiencies of the existing models is the exclusion of the effect of changes in the footbridge dynamic properties due to the presence of pedestrians. In this paper, the formulation of a human-structure interaction model, addresses these limitations, is carried out and its reliability is verified from previously published experimental results.Aunque la comunidad científica tenía conocimiento de los problemas vibratorios inducidos por peatones en estructuras desde finales del siglo xix, no fue hasta la ocurrencia de los eventos vibratorios acontecidos en la pasarela del Milenio (Londres, 2000, cuando la importancia del problema se puso de manifiesto y se le comenzó a dedicar un mayor nivel de atención. A pesar de los grandes avances alcanzados en la caracterización de la fuerza de interacción peatón-estructura una de las principales deficiencias de los modelos existentes es la exclusión del cambio en las propiedades dinámicas de la pasarela por la presencia de peatones. En este artículo, se presenta la formulación de un modelo de interacción peatón-estructura que intenta dar respuesta a dichas limitaciones, y su validación a partir de resultados experimentales previamente publicados por otros autores.
A piezoelectric brace for passive suppression of structural vibration and energy harvesting
Yang, Chuang-Sheng Walter; Lai, Yong-An; Kim, Jin-Yeon
2017-08-01
Power outage after an earthquake would cause an additional chaos to the existing aftermath, greatly aggravating the situation if the outage lasts for an extended period. This research aims at developing an innovative piezoelectric brace, which provides both passive energy-dissipating and energy-harvesting capabilities—a passive suppression of structural vibrations and conversion of vibration energy into reusable electricity. The piezoelectric brace has compression modules that exert compressive loads on the piezoelectric material regardless if the brace is in compression or in tension. The compression module consists of a piezoelectric stack and rubber pads. The rubber pads are used to limit the maximum strain in the piezoelectric material below the allowable operational strain. The electro-mechanical equations of motion are derived for a 1-story and a 3-story frame model with the piezoelectric braces. To evaluate the structural behavior and the energy harvesting performance, numerical simulations are executed for the two model buildings (in downtown Los Angeles) that are equipped with the piezoelectric braces. The effects of design parameters including the geometry of the piezoelectric stack and rubber pads and the electric resistance in the electro-mechanical conversion circuit on the performance are investigated. The numerical results indicate that the piezoelectric braces passively dissipate energy through inclined oval-shaped hysteretic loops. The harvested energy is up to approximately 40% of the input energy. The structural displacements are significantly reduced, as compared to the original frames without the piezoelectric braces. Finally, a design procedure for a frame with the proposed passive piezoelectric braces is also presented.
Salustro, Simone; Ferrari, Anna Maria; Gentile, Francesco Silvio; Desmarais, Jacques Kontak; Rérat, Michel; Dovesi, Roberto
2018-01-05
The B-center in diamond, which consists of a vacancy whose four first nearest-neighbors are nitrogen atoms, has been investigated at the quantum-mechanical level with an all-electron Gaussian-type basis set, hybrid functionals, and the periodic supercell approach. To simulate various defect concentrations, four cubic supercells have been considered, containing (before the creation of the vacancy) 64, 216, 512, and 1000 atoms, respectively. Whereas the B-center does not affect the Raman spectrum of diamond, several intense peaks appear in the IR spectrum, which should permit us to identify this defect. It turns out that of the seven peaks proposed by Sutherland in 1954, located at 328, 780, 1003, 1171, 1332, 1372, and 1426 cm-1, and frequently mentioned as fingerprints of the B center, the first one and the last three do not appear in the simulated spectrum at any concentration. The graphical animation of the modes confirms the attribution of the remaining three and also permits investigation of the nature of the full set of modes.
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.
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Cho Dae Seung
2015-04-01
Full Text Available Thin and thick plates, plates with holes, stiffened panels and stiffened panels with holes are primary structural members in almost all fields of engineering: civil, mechanical, aerospace, naval, ocean etc. In this paper, a simple and efficient procedure for the free vibration analysis of such elements is presented. It is based on the assumed mode method and can handle different plate thickness, various shapes and sizes of holes, different framing sizes and types as well as different combinations of boundary conditions. Natural frequencies and modes are determined by solving an eigenvalue problem of a multi-degree-of-freedom system matrix equation derived by using Lagrange’s equations. Mindlin theory is applied for a plate and Timoshenko beam theory for stiffeners. The applicability of the method in the design procedure is illustrated with several numerical examples obtained by the in-house developed code VAPS. Very good agreement with standard commercial finite element software is achieved.
Deraemaeker, A.; Reynders, E.; De Roeck, G.; Kullaa, J.
2008-01-01
This paper deals with the problem of damage detection using output-only vibration measurements under changing environmental conditions. Two types of features are extracted from the measurements: eigenproperties of the structure using an automated stochastic subspace identification procedure and peak indicators computed on the Fourier transform of modal filters. The effects of environment are treated using factor analysis and damage is detected using statistical process control with the multivariate Shewhart- T control charts. A numerical example of a bridge subject to environmental changes and damage is presented. The sensitivity of the damage detection procedure to noise on the measurements, environment and damage is studied. An estimation of the computational time needed to extract the different features is given, and a table is provided to summarize the advantages and drawbacks of each of the features studied.
Zhao, Liuxian; Conlon, Stephen C.; Semperlotti, Fabio
2015-06-01
In this paper, we present an experimental investigation on the energy harvesting performance of dynamically tailored structures based on the concept of embedded acoustic black holes (ABHs). Embedded ABHs allow tailoring the wave propagation characteristics of the host structure creating structural areas with extreme levels of energy density. Experiments are conducted on a tapered plate-like aluminum structure with multiple embedded ABH features. The dynamic response of the structure is tested via laser vibrometry in order to confirm the vibration localization and the passive wavelength sweep characteristic of ABH embedded tapers. Vibrational energy is extracted from the host structure and converted into electrical energy by using ceramic piezoelectric discs bonded on the ABHs and shunted on an external electric circuit. The energy harvesting performance is investigated both under steady state and transient excitation. The experimental results confirm that the dynamic tailoring produces a drastic increase in the harvested energy independently from the nature of the excitation input.
Edwin, Bismi; Amalanathan, M.; Chadha, Ridhima; Maiti, Nandita; Kapoor, Sudhir; Hubert Joe, I.
2017-11-01
Vibrational spectral analysis and quantum chemical computations based on density functional theory have been performed on the anti-neuronal drug 4-(2-aminoethyl) morpholine. The geometry, intermolecular hydrogen bond, and harmonic vibrational frequencies of the title molecule have been investigated with the help of B3LYP method. The calculated molecular geometry has been compared with the experimental data. The various intramolecular interactions have been exposed by natural bond orbital analysis. Analysis of SERS bands in comparison to the normal Raman spectrum indicates the chemisorption of the drug on the silver surface. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Effective docking of the drug molecule with 2C6C protein also enhances its bioactive nature.
Eberhard, M J B; Lang, D; Metscher, B; Pass, G; Picker, M D; Wolf, H
2010-07-01
Individuals of the insect order Mantophasmatodea use species-specific substrate vibration signals for mate recognition and location. In insects, substrate vibration is detected by mechanoreceptors in the legs, the scolopidial organs. In this study we give a first detailed overview of the structure, sensory sensitivity, and function of the leg scolopidial organs in two species of Mantophasmatodea and discuss their significance for vibrational communication. The structure and number of the organs are documented using light microscopy, SEM, and x-ray microtomography. Five scolopidial organs were found in each leg of male and female Mantophasmatodea: a femoral chordotonal organ, subgenual organ, tibial distal organ, tibio-tarsal scolopidial organ, and tarso-pretarsal scolopidial organ. The femoral chordotonal organ, consisting of two separate scoloparia, corresponds anatomically to the organ of a stonefly (Nemoura variegata) while the subgenual organ complex resembles the very sensitive organs of the cockroach Periplatena americana (Blattodea). Extracellular recordings from the leg nerve revealed that the leg scolopidial organs of Mantophasmatodea are very sensitive vibration receptors, especially for low-frequency vibrations. The dominant frequencies of the vibratory communication signals of Mantophasmatodea, acquired from an individual drumming on eight different substrates, fall in the frequency range where the scolopidial organs are most sensitive. Copyright 2010 Elsevier Ltd. All rights reserved.
Energy Finite Element Analysis Developments for Vibration Analysis of Composite Aircraft Structures
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.
Research on Spillover Effects for Vibration Control of Piezoelectric Smart Structures by ANSYS
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Xingjian Dong
2014-01-01
Full Text Available To control vibration of a piezoelectric smart structure, a controller is usually designed based on a reduced order model (ROM of the system. When such a ROM based controller operates in closed loop with the actual structure, spillover phenomenon occurs because the unmodeled dynamics, which are not included in ROM, will be excited. In this paper, a new approach aiming at investigating spillover effects in ANSYS software is presented. By using the ANSYS parametric design language (APDL, the ROM based controller is integrated into finite element model to provide an accurate representation of what will happen when the controller is connected to the real plant. Therefore, the issues of spillover effects can be addressed in the closed loop simulation. Numerical examples are presented for investigating spillover effects of a cantilever piezoelectric plate subjected to various types of loading. The importance of considering spillover effects in closed loop simulation of piezoelectric smart structures is demonstrated. Moreover, the present study may provide an efficient method especially beneficial for preliminary design of piezoelectric smart structure to evaluate the performance of candidate control laws in finite element environment considering spillover effects.
Svinkin, Mark R.
2016-12-01
The authors suggested a hybrid method for modeling the time history of structural vibrations triggered by impact dynamic loads from construction equipment and blasting, and they stated, "In this work, a hybrid method has been proposed to calculate the theoretical seismograms of structural vibrations. The word "hybrid" denotes a combination of field measurements and computer simulations. Then, based on nonlinear system theory, a novel method is proposed to predict the signal induced by impact loading".
Loendersloot, Richard; Ooijevaar, T.H.; Warnet, Laurent; de Boer, Andries; Akkerman, Remko; Vasques, C.M.A.; Dias Rodrigues, J.
2011-01-01
A Finite Element based numerical model for a vibration based damage identification method for a 2.5D composite structure is discussed in this chapter. The linear dynamic response of an intact and a locally delaminated 16-layer unidirectional carbon fibre PEKK reinforced T-beam is analysed. A
Full Article: Stoichiometry, Vibrational Modes and Structure of Molten Nb2O5-K2S2O7 Mixtures
DEFF Research Database (Denmark)
Boghosian, S.; Borup, F.; Berg, Rolf W.
1998-01-01
The dissolution reaction of Nb205 in pure molten K2S207 has been studied and high temperature Raman spectroscopy has been used for determining the vibrational and structural properties of the Nb(V) complex(es) formed according to the reaction Nb205 + n S207(2-) -> complex. By means of a recently ...
He, Liangguo; Pan, Chengliang; Wang, Hongbo; Feng, Zhihua
2013-09-01
We develop a novel approach to match harmonics and vibration modes based on the mechanism of multiple tuning fork structure (MTFS), through which it is promising to realize arbitrary periodical vibrations in the resonant state. A prototype three-layer MTFS with first three harmonics is presented to verify the feasibility of the proposed principle. The matching process and experimental results confirm the unique advantages of MTFS, as discussed in the theoretical analysis. Typical periodical motions, including sawtooth, square, half-wave rectified, and full-wave rectified waveforms, are achieved by the syntheses of resonant harmonics.
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Reem Yassine
2016-12-01
Full Text Available The frequency response function is a quantitative measure used in structural analysis and engineering design; hence, it is targeted for accuracy. For a large structure, a high number of substructures, also called cells, must be considered, which will lead to a high amount of computational time. In this paper, the recursive method, a finite element method, is used for computing the frequency response function, independent of the number of cells with much lesser time costs. The fundamental principle is eliminating the internal degrees of freedom that are at the interface between a cell and its succeeding one. The method is applied solely for free (no load nodes. Based on the boundary and interior degrees of freedom, the global dynamic stiffness matrix is computed by means of products and inverses resulting with a dimension the same as that for one cell. The recursive method is demonstrated on periodic structures (cranes and buildings under harmonic vibrations. The method yielded a satisfying time decrease with a maximum time ratio of 1 18 and a percentage difference of 19%, in comparison with the conventional finite element method. Close values were attained at low and very high frequencies; the analysis is supported for two types of materials (steel and plastic. The method maintained its efficiency with a high number of forces, excluding the case when all of the nodes are under loads.
A simple method for enhanced vibration-based structural health monitoring
Energy Technology Data Exchange (ETDEWEB)
Guechaichia, A; Trendafilova, I, E-mail: abdelhamid.guechaichia@strath.ac.uk [Department of Mechanical Engineering University of Strathclyde, James Weir Building, 75 Montrose street, Glasgow, G1 IXJ (United Kingdom)
2011-07-19
This study suggests a novel method for structural vibration-based health monitoring for beams which only utilises the first natural frequency of the beam in order to detect and localise a defect. The method is based on the application of a static force in different positions along the beam. It is shown that the application of a static force on a damaged beam induces stresses at the defect which in turn cause changes in the structural natural frequencies. A very simple procedure for damage detection is suggested which uses a static force applied in just one point, in the middle of the beam. Localisation is made using two additional application points of the static force. Damage is modelled as a small notch through the whole width of the beam. The method is demonstrated and validated numerically, using a finite element model of the beam, and experimentally for a simply supported beam. Our results show that the frequency variation with the change of the force application point can be used to detect and in the same time localize very precisely even a very small defect. The method can be extended for health monitoring of other more complicated structures.
Indian Academy of Sciences (India)
We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.
Structure in the nonlinear saturation spectrum of parametric instabilities.
Fejer, J. A.; Kuo, Y.-Y.
1973-01-01
The nonlinear saturation spectrum of the decay instability is obtained in the limit of small spontaneous emission, for comparable ion and electron temperatures, from numerical solutions of a kinetic equation based on an accurate expression for the nonlinearity. The spectral energy occupies several pairs of isolated saucer-shaped regions in wave-vector space. The regions increase in thickness, angular diameter, and number as the pump power is increased. The theory thus predicts the generation of waves propagating in directions which can differ substantially from the direction of the pump field. Ionospheric observations confirm this prediction; they were difficult to reconcile with the predictions of previous theories based on an approximated expression for the nonlinearity. The present work also corrects the results of previous one-dimensional theories that used an accurate expression for the nonlinearity and predicted 'spectral lines' in the limit of vanishing spontaneous emission.
Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis
2012-04-28
The crystalline structure of ureidopyrimidinone-based silane (UPY) has been determined. The local and long range order structuring of the bridged silsesquioxane (MUPY) resulting from the sol-gel hydrolysis-condensation of the former precursor has been investigated by MFTIR (Mid Fourier Transform InfraRed) combined with DFT (Density Functional Theory) and XRD (X-ray diffraction) studies. These studies showed that a long range structuring exists within the organic fragments with the transcription of the DDAA (Donor-Donor-Acceptor-Acceptor) H-bonding array from UPY to MUPY whereas a disordered siloxane network was revealed in the hybrid material. This journal is © the Owner Societies 2012
DEFF Research Database (Denmark)
Kawchuk, Gregory N; Hartvigsen, Jan; Edgecombe, Tiffany
2016-01-01
Structural health monitoring (SHM) is an engineering technique used to identify mechanical abnormalities not readily apparent through other means. Recently, SHM has been adapted for use in biological systems, but its invasive nature limits its clinical application. As such, the purpose of this pr......Structural health monitoring (SHM) is an engineering technique used to identify mechanical abnormalities not readily apparent through other means. Recently, SHM has been adapted for use in biological systems, but its invasive nature limits its clinical application. As such, the purpose...... of this project was to determine if a non-invasive form of SHM could identify structural alterations in the spines of living human subjects. Lumbar spines of 10 twin pairs were visualized by magnetic resonance imaging then assessed by a blinded radiologist to determine whether twin pairs were structurally...
Vibration based structural health monitoring of composite skin-stiffener structures
Ooijevaar, T.H.
2014-01-01
Composite materials combine a high strength and stiffness with a relatively low density. These materials can, however, exhibit complex types of damage, like transverse cracks and delaminations. These damage scenarios can severely influence the structural performance of a component. Periodic
Mishra, Rashmi; Joshi, Bhawani Datt; Srivastava, Anubha; Tandon, Poonam; Jain, Sudha
2014-01-01
The study concentrates on an important natural product, phthalide isoquinoline alkaloid Corlumine (COR) [(6R)-6-[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl] furo [3,4-e]-1,3-benzodioxol-8(6H)-one] well known to exhibit spasmolytic and GABA antagonist activity. It was fully characterized by a variety of experimental methods including vibrational spectroscopy (IR and Raman), thermal analysis (DSC), UV and SEM. For a better interpretation and analysis of the results quantum chemical calculations employing DFT were also performed. TD-DFT was employed to elucidate electronic properties for both gaseous and solvent environment using IEF-PCM model. Graphical representation of HOMO and LUMO would provide a valuable insight into the nature of reactivity and some of the structural and physical properties of the title molecule. The structure-activity relationship have been interpreted by mapping electrostatic potential surface (MEP), which is valuable information for the quality control of medicines and drug-receptor interactions. Stability of the molecule arising from hyper conjugative interactions, charge delocalisation has been analyzed using natural bond orbital (NBO) analysis. Computation of thermodynamical properties would help to have a deep insight into the molecule for further applications.
Vibration based structural assessment of the rehabilitation intervention in r.c. segmental bridge
Directory of Open Access Journals (Sweden)
Franchetti Paolo
2015-01-01
Full Text Available A vibration based structural assessment campaign was carried out on a r.c. segmental bridge in North East Italy. The bridge has a cantilever static scheme, fixed at the top of the piers and with a hinge at the centre of the span. The particular configuration of the hinge consists in a couple of steel elements, each one composed by a tongue and groove joint. Since the year 1960, the hinge was subjected to consumption and degradation, that caused a malfunctioning of the device. An intervention of rehabilitation of the bridge led to a reinforcement of the existing hinges with the coupling of new metallic devices: new tongue and groove hinges were applied, that by one side allow the horizontal displacements and rotation, by the other side strongly reduce the relative vertical displacements of the two parts of the bridge. A dynamic test campaign was set up in order to assess the effectiveness of the intervention. The principal dynamic parameters were calculated and analysed with respect to the intervention that was realized. The tests clearly showed the effectiveness of the intervention, and helped the designer to have a better understanding of the structural behaviour of the bridge.
Intermittency and emergence of coherent structures in wave turbulence of a vibrating plate.
Mordant, Nicolas; Miquel, Benjamin
2017-10-01
We report numerical investigations of wave turbulence in a vibrating plate. The possibility to implement advanced measurement techniques and long-time numerical simulations makes this system extremely valuable for wave turbulence studies. The purely 2D character of dynamics of the elastic plate makes it much simpler to handle compared to much more complex 3D physical systems that are typical of geo- and astrophysical issues (ocean surface or internal waves, magnetized plasmas or strongly rotating and/or stratified flows). When the forcing is small the observed wave turbulence is consistent with the predictions of the weak turbulent theory. Here we focus on the case of stronger forcing for which coherent structures can be observed. These structures look similar to the folds and D-cones that are commonly observed for strongly deformed static thin elastic sheets (crumpled paper) except that they evolve dynamically in our forced system. We describe their evolution and show that their emergence is associated with statistical intermittency (lack of self similarity) of strongly nonlinear wave turbulence. This behavior is reminiscent of intermittency in Navier-Stokes turbulence. Experimental data show hints of the weak to strong turbulence transition. However, due to technical limitations and dissipation, the strong nonlinear regime remains out of reach of experiments and therefore has been explored numerically.
Molecular structure, vibrational, HOMO-LUMO, MEP and NBO analysis of hafnium selenite
Yankova, Rumyana; Genieva, Svetlana; Dimitrova, Ginka
2017-08-01
In hydrothermal condition hafnium selenite with estimated chemical composition Hf(SeO3)2·n(H2O) was obtained and characterized by powder X-Ray diffraction, IR spectroscopy and thermogravimetrical analysis. The composition of the obtained crystalline phase was established as dihydrate of tetraaqua complex of the hafnium selenite [Hf(SeO3)2(H2O)4]·2H2O. The results of the thermogravimetrical analysis are shown that the two hydrated water molecules are released in the temperature interval 80-110°C, while the four coordinated water molecules - at 210-300°C. By DFT method, with Becke's three parameter exchange-functional combined with gradient-corrected correlation functional of Lee, Yang and Parr and 6-31G(d), 6-311 + G(d,p) basis sets and LANL2DZ for Hf atom were calculated the molecular structure, vibrational frequencies and thermodynamic properties of the structure. The UV-Vis spectra and electronic properties are presented. The energy and oscillator strength calculated by time-dependent density functional theory corresponds well with the experimental ones. Molecular electrostatic potential (MEP) was performed. Mulliken population analysis on atomic charges was also calculated. The stability and intramolecular interactions are interpreted by NBO analysis.
Bostic, Susan W.; Fulton, Robert E.
1987-01-01
Eigenvalue analyses of complex structures is a computationally intensive task which can benefit significantly from new and impending parallel computers. This study reports on a parallel computer implementation of the Lanczos method for free vibration analysis. The approach used here subdivides the major Lanczos calculation tasks into subtasks and introduces parallelism down to the subtask levels such as matrix decomposition and forward/backward substitution. The method was implemented on a commercial parallel computer and results were obtained for a long flexible space structure. While parallel computing efficiency is problem and computer dependent, the efficiency for the Lanczos method was good for a moderate number of processors for the test problem. The greatest reduction in time was realized for the decomposition of the stiffness matrix, a calculation which took 70 percent of the time in the sequential program and which took 25 percent of the time on eight processors. For a sample calculation of the twenty lowest frequencies of a 486 degree of freedom problem, the total sequential computing time was reduced by almost a factor of ten using 16 processors.
Formation and vibrational structure of Si nano-clusters in ZnO matrix
Energy Technology Data Exchange (ETDEWEB)
Garcia-Serrano, J. [Universidad Autonoma del Estado de Hidalgo, Hidalgo (Mexico); Pal, U. [Universidad Autonoma de Puebla, Puebla (Mexico); Koshizaki, N.; Sasaki, T. [National Institute of Materials and Chemical Research, Ibaraki (Japan)
2001-02-01
We have studied the formation and vibrational structure of Si nano-clusters in ZnO matrix prepared by radio-frequency (r.f.) co-sputtering, and characterized by Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS) and Infrared (IR) spectroscopy techniques. The composite films of Si/ZnO were grown o quartz substrates by co-sputtering of Si and ZnO targets. TEM images show a homogeneous distribution of clusters in the matrix with average size varied from 3.7 nm to 34 nm depending on the temperature of annealing. IR absorption measurements revealed the bands correspond to the modes of vibrations of Si{sub 3} in its triangular geometrical structure. By analysing the IR absorption and XPS spectra we found that the nano-clusters consist of a Si{sub 3} core and a SiO{sub x} cap layer. With the increase of annealing temperature, the vibrational states of Si changed from the triplet {sup 3}B1(C2{sub v}) and {sup 3}A'{sub 2}(D{sub 3h}) states to its singlet ground state {sup 1}A{sub 1}(C2{sub v}) and the oxidation state of Si in SiO{sub x} increased. The evolution of the local atomic structure of the Si nano-clusters with the variation of Si content in the film and with the variation of the temperature of annealing are discussed. [Spanish] Se estudia la formacion y estructura vibracional de nano-cumulos de Si en matriz de ZnO preparados por la tecnica de radio-frecuencia (r.f.) co-sputtering, y caracterizados por Microscopia Electronica de Transmision (TEM), Espectroscopia Fotoelectronica de rayos X (XPS) y Espectroscopia de Infrarrojo (IR). Las peliculas compositas de Si/ZnO fueron crecidas sobre sustratos de cuarzo mediante el co-sputtering de blancos de Si y ZnO. Las imagenes de TEM mostraron una distribucion homogenea de cumulos en la matriz con un tamano promedio de 3.7 nm a 34 nm dependiendo de la temperatura de tratamiento. Las mediciones de IR relevaron las bandas correspondientes a los modos de vibracion de Si{sub 3} en su estructura
Magnetoplasmon spectrum for realistic off-plane structure of dissipative 2D system
Cheremisin, M. V.
2017-12-01
The rigorous analysis of the textbook result (Chiu and Quinn, 1974) gives unexpectedly the dramatic change of the magnetoplasmon spectrum taking into account both the arbitrary dissipation and asymmetric off-plane structure of 2D system. For given wave vector the dissipation enhancement leads to decrease(increase) of magnetoplasmon frequency at low(high) magnetic field. At certain range of disorder the purely relaxational mode appears in magnetoplasmon spectrum. In strong magnetic fields the magnetoplasmon frequency falls to cyclotron resonance line even in presence of finite dissipation. The observation of nonlinearity and, moreover, the mysterious zig-zag behavior 2D magnetoplasmon spectrum is consistent with our findings.
Yedukondalu, N.; Ghule, Vikas D.; Vaitheeswaran, G.
2016-08-01
Ammonium DiNitramide (ADN) is one of the most promising green energetic oxidizers for future rocket propellant formulations. In the present work, we report a detailed theoretical study on structural, elastic, and vibrational properties of the emerging oxidizer under hydrostatic compression using various dispersion correction methods to capture weak intermolecular (van der Waals and hydrogen bonding) interactions. The calculated ground state lattice parameters, axial compressibilities, and equation of state are in good accord with the available experimental results. Strength of intermolecular interactions has been correlated using the calculated compressibility curves and elastic moduli. Apart from this, we also observe discontinuities in the structural parameters and elastic constants as a function of pressure. Pictorial representation and quantification of intermolecular interactions are described by the 3D Hirshfeld surfaces and 2D finger print maps. In addition, the computed infra-red (IR) spectra at ambient pressure reveal that ADN is found to have more hygroscopic nature over Ammonium Perchlorate (AP) due to the presence of strong hydrogen bonding. Pressure dependent IR spectra show blue- and red-shift of bending and stretching frequencies which leads to weakening and strengthening of the hydrogen bonding below and above 5 GPa, respectively. The abrupt changes in the calculated structural, mechanical, and IR spectra suggest that ADN might undergo a first order structural transformation to a high pressure phase around 5-6 GPa. From the predicted detonation properties, ADN is found to have high and low performance characteristics (DCJ = 8.09 km/s and PCJ = 25.54 GPa) when compared with ammonium based energetic oxidizers (DCJ = 6.50 km/s and PCJ = 17.64 GPa for AP, DCJ = 7.28 km/s and PCJ = 18.71 GPa for ammonium nitrate) and well-known secondary explosives for which DCJ = ˜8-10 km/s and PCJ = ˜30-50 GPa, respectively.
Rectangular Parallelepiped Vibration in Plane Strain State
Hanckowiak, Jerzy
2004-01-01
In this paper we present a vibration spectrum of a homogenous parallelepiped (HP) under the action of volume and surface forces resulting from the exponent displacements entering the Fourier transforms. Vibration under the action of axial surface tractions and the free vibration are described separately. A relationship between the high frequency vibration and boundary conditions (BC) is also considered.
Mehitretter, R.
1996-01-01
Stress analysis of the primary structure of the Meteorological Satellites Project (METSAT) Advanced Microwave Sounding Units-A, A1 Module performed using the Meteorological Operational (METOP) Qualification Level 9.66 grms Random Vibration PSD Spectrum is presented. The random vibration structural margins of safety and natural frequency predictions are summarized.
Domingos, Sérgio R; Hartl, František; Buma, Wybren Jan; Woutersen, Sander
2015-11-16
Recent experimental observations of enhanced vibrational circular dichroism (VCD) in molecular systems with low-lying electronically excited states suggest interesting new applications of VCD spectroscopy. The theory describing VCD enhancement through vibronic coupling schemes was derived by Nafie in 1983, but only recently experimental evidence of VCD amplification has demonstrated the extent to which this effect can be exploited as a structure elucidation tool to probe local structure. In this Concept paper, we give an overview of the physics behind vibrational circular dichroism, in particular the equations governing the VCD amplification effect, and review the latest experimental developments with a prospective view on the application of amplified VCD to locally probe biomolecular structure. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
DEFF Research Database (Denmark)
McColl, L.H.; Blanch, E.W.; Gill, A.C.
2003-01-01
The vibrational Raman optical activity (ROA) spectrum of a polypeptide in a model beta-sheet conformation, that of poly(L-lysine), was measured for the first time, and the alpha-helix --> beta-sheet transition monitored as a function of temperature in H2O and D2O. Although no significant population......-sheet poly(L-lysine) contains up-and-down antiparallel beta-sheets based on the hairpin motif. The ROA spectrum of beta-sheet poly(L-lysine) was compared with ROA data on a number of native proteins containing different types of beta-sheet. Amide I and amide II ROA band patterns observed in beta-sheet poly...... in beta-sheet shows amide I and amide II ROA bands similar to those of beta-sheet poly(L-lysine), which suggests that the C-terminal domain of the prion protein is able to support unusually flat beta-sheets. A principal component analysis (PCA) that identifies protein structural types from ROA band...
Influence of dynamic soil-structure interaction on building response to ground vibration
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard
2014-01-01
must be used. In this regard it is often assumed that a no significant back coupling from the building to the ground exists. Thus, a model with free-field vibrations from the ground provides input at the base of the building model. The aim of the present paper is to examine whether—and to which extent......Vibration from traffic and pile driving are an increasing problem in densely populated areas. To assess vibration levels in new or existing buildings near construction sites, roads or railways in the design phase, valid models for prediction of wave transmission via the ground and into a building...
Ambient vibration monitoring of slender structures by microwave interferometer remote sensing
Gikas, Vassilis
2012-11-01
This paper examines the potential of microwave radar interferometry for monitoring the dynamic behaviour of large civil engineering works. It provides an overview of the method, its principles of operation with particular emphasis given on the IBIS-S system. Two areas of application are considered and the results of the analyses are presented and discussed. The first experimental study involves the monitoring of the dynamic response of a tall power plant chimney due to wind load. The second example examines the dynamic behaviour of a long cable-stayed bridge. In this case, the focus is placed on the effects that individual traffic events impose on the vibration response of the main span of the bridge deck and the bridge pylons. Analysis of the results provides detailed displacement time-histories and the dominant frequencies observed at the top of the chimney and along the bridge deck and the top of the towers. Also, cross-comparisons and discussions with the results obtained at the same structures using different sensor configurations are provided.
Energy Technology Data Exchange (ETDEWEB)
Monteseguro, V. [Departamento de Física and MALTA Consolider Team, Universidad de La Laguna, 38200 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain); Rodríguez-Hernández, P.; Muñoz, A., E-mail: amunoz@ull.es [Departamento de Física and MALTA Consolider Team, Universidad de La Laguna, 38200 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain); Instituto de Materiales y Nanotecnología. Universidad de La Laguna, 38200 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain)
2015-12-28
The structural, elastic, and vibrational properties of yttrium aluminum garnet Y{sub 3}Al{sub 5}O{sub 12} are studied under high pressure by ab initio calculations in the framework of the density functional theory. The calculated ground state properties are in good agreement with the available experimental data. Pressure dependences of bond length and bulk moduli of the constituent polyhedra are reported. The evolution of the elastic constants and the major elastic properties, Young and shear modulus, Poisson's ratios, and Zener anisotropy ratio, are described. The mechanical stability is analyzed, on the light of “Born generalized stability criteria,” showing that the garnet is mechanically unstable above 116 GPa. Symmetries, frequencies, and pressure coefficients of the Raman-active modes are discussed on the basis of the calculated total and partial phonon density of states, which reflect the dynamical contribution of each atom. The relations between the phonon modes of Y{sub 3}Al{sub 5}O{sub 12} and the internal and external molecular modes of the different polyhedra are discussed. Infrared-active modes, as well as the silent modes, and their pressure dependence are also investigated. No dynamical instabilities were found below 116 GPa.
Němec, Ivan; Matulková, Irena; Held, Peter; Kroupa, Jan; Němec, Petr; Li, Dongxu; Bohatý, Ladislav; Becker, Petra
2017-07-01
Of the three guanidinium phosphates GuH2PO4 (space group P21/c), Gu2HPO4·H2O (space group P 4 bar 21 c) and Gu3PO4· 3/2 H2O (space group Cc) crystal structures and a vibrational spectroscopy study are presented. Large single crystals of GuH2PO4 and Gu2HPO4·H2O are grown. Refractive indices and their dispersion in the wavelength range 365 nm - 1083 nm are determined and used for the analysis of phase matching conditions for collinear SHG in the case of the non-centrosymmetric crystals of Gu2HPO4·H2O. The crystals are not phase-matchable within their transmission range. Both independent components of the SHG tensor of Gu2HPO4·H2O, determined by the Maker fringe method, are given, with d14 = 0.23 pm/V and d36 = 0.22 pm/V. In addition, the thermal stability and the anisotropy of thermal expansion of GuH2PO4 and Gu2HPO4·H2O is reported.
Fault diagnosis of planetary gearboxes via torsional vibration signal analysis
Feng, Zhipeng; Zuo, Ming J.
2013-04-01
Torsional vibration signals are theoretically free from the amplitude modulation effect caused by time variant vibration transfer paths due to the rotation of planet carrier and sun gear, and therefore their spectral structure are simpler than transverse vibration signals. Thus, it is potentially easy and effective to diagnose planetary gearbox faults via torsional vibration signal analysis. We give explicit equations to model torsional vibration signals, considering both distributed gear faults (like manufacturing or assembly errors) and local gear faults (like pitting, crack or breakage of one tooth), and derive the characteristics of both the traditional Fourier spectrum and the proposed demodulated spectra of amplitude envelope and instantaneous frequency. These derivations are not only effective to diagnose single gear fault of planetary gearboxes, but can also be generalized to detect and locate multiple gear faults. We validate experimentally the signal models, as well as the Fourier spectral analysis and demodulation analysis methods.
DEFF Research Database (Denmark)
Lassen, Peter Rygaard
2005-01-01
The absolute configuration of the norlignan (+)-nyasol was determined to be S by comparison of the experimental vibrational circular dichroism data with first-principle calculations taking into account the eight lowest energy conformations. The established absolute configuration of (+)-nyasol...
The Comparative Study of Vibration Control of Flexible Structure Using Smart Materials
Directory of Open Access Journals (Sweden)
Juntao Fei
2010-01-01
Full Text Available Considerable attention has been devoted to active vibration control using intelligent materials as PZT actuators. This paper presents results on active control schemes for vibration suppression of flexible steel cantilever beam with bonded piezoelectric actuators. The PZT patches are surface bonded near the fixed end of flexible steel cantilever beam. The dynamic model of the flexible steel cantilever beam is derived. Active vibration control methods: optimal PID control, strain rate feedback control (SRF, and positive position feedback control (PPF are investigated and implemented using xPC Target real-time system. Experimental results demonstrate that the SRF and PPF controls have better performance in suppressing the vibration of cantilever steel beam than the optimal PID control.
Identification for Active Vibration Control of Flexible Structure Based on Prony Algorithm
National Research Council Canada - National Science Library
Sheng, Xianjun; Kong, Yuanli; Zhang, Fengyun; Yang, Rui
2016-01-01
.... The modal parameters and transfer function of the system are identified from the step response signal based on Prony algorithm, while the vibration is attenuated by using the input shaping technique...
Effect of pile-driving induced vibrations on nearby structures and other assets.
2013-11-01
The work described here represents an attempt to understand the mechanisms of energy : transfer from steel H-piles driven with diesel hammers to the surrounding soil and the energy : attenuation through the soil by measuring ground motion vibrations ...
Energy Dissipation from Vibrating Floor Slabs due to Human-Structure Interaction
Directory of Open Access Journals (Sweden)
James M.W. Brownjohn
2001-01-01
Full Text Available Lightweight pre-cast flooring systems using post-tensioning to increase strength but not stiffness are increasingly popular, and vibration serviceability problems tend to govern design of such floors where human occupants are increasingly concerned with vibrations. At the same time as inducing response, stationary human observers can also participate in the response as mitigating influence and it is clear that a human behaves as a highly effective damper, even when seated.
Petrenko, Taras; Rauhut, Guntram
2017-03-28
Vibrational configuration interaction theory is a common method for calculating vibrational levels and associated IR and Raman spectra of small and medium-sized molecules. When combined with appropriate configuration selection procedures, the method allows the treatment of configuration spaces with up to 1010 configurations. In general, this approach pursues the construction of the eigenstates with significant contributions of physically relevant configurations. The corresponding eigenfunctions are evaluated in the subspace of selected configurations. However, it can easily reach the dimension which is not tractable for conventional eigenvalue solvers. Although Davidson and Lanczos methods are the methods of choice for calculating exterior eigenvalues, they usually fall into stagnation when applied to interior states. The latter are commonly treated by the Jacobi-Davidson method. This approach in conjunction with matrix factorization for solving the correction equation (CE) is prohibitive for larger problems, and it has limited efficiency if the solution of the CE is based on Krylov's subspace algorithms. We propose an iterative subspace method that targets the eigenvectors with significant contributions to a given reference vector and is based on the optimality condition for the residual norm corresponding to the error in the solution vector. The subspace extraction and expansion are modified according to these principles which allow very efficient calculation of interior vibrational states with a strong multireference character in different vibrational structure problems. The convergence behavior of the method and its performance in comparison with the aforementioned algorithms are investigated in a set of benchmark calculations.
Directory of Open Access Journals (Sweden)
S. K. Georgantzinos
2014-04-01
Full Text Available An atomistic structural mechanics method, which is based on the exclusive use of spring elements, is developed in order to study the effect of imperfections due to atom vacancy on the vibrational characteristics of single-walled carbon nanotubes (SWCNTs. The developed elements simulate the relative translations and rotations between atoms as well as the mass of the atoms. In this way, molecular mechanics theory can be applied directly because the atomic bonds are modeled by using exclusively physical variables such as bond stretching. The method is validated for its predictability comparing with vibration results found in the open literature for pristine nanotubes. Then, it is used for the vibration analysis of defective nanotubes. Imperfections such as one-atom vacancy, two-atom vacancy, and one carbon hexagonal cell vacancy are investigated. Their effect on vibrational behavior is explored for different defect positions, nanotube diameters, and support conditions. According to the obtained results, the fundamental frequency is decreased as the size of imperfection increases, and the percentage reduction in fundamental frequency due to the atomic vacancy defect is more affected for a single-clamped SWCNT than for a double-clamped one.
Petrenko, Taras; Rauhut, Guntram
2017-03-01
Vibrational configuration interaction theory is a common method for calculating vibrational levels and associated IR and Raman spectra of small and medium-sized molecules. When combined with appropriate configuration selection procedures, the method allows the treatment of configuration spaces with up to 1010 configurations. In general, this approach pursues the construction of the eigenstates with significant contributions of physically relevant configurations. The corresponding eigenfunctions are evaluated in the subspace of selected configurations. However, it can easily reach the dimension which is not tractable for conventional eigenvalue solvers. Although Davidson and Lanczos methods are the methods of choice for calculating exterior eigenvalues, they usually fall into stagnation when applied to interior states. The latter are commonly treated by the Jacobi-Davidson method. This approach in conjunction with matrix factorization for solving the correction equation (CE) is prohibitive for larger problems, and it has limited efficiency if the solution of the CE is based on Krylov's subspace algorithms. We propose an iterative subspace method that targets the eigenvectors with significant contributions to a given reference vector and is based on the optimality condition for the residual norm corresponding to the error in the solution vector. The subspace extraction and expansion are modified according to these principles which allow very efficient calculation of interior vibrational states with a strong multireference character in different vibrational structure problems. The convergence behavior of the method and its performance in comparison with the aforementioned algorithms are investigated in a set of benchmark calculations.
Arjunan, V.; Thirunarayanan, S.; Marchewka, M. K.; Mohan, S.
2017-10-01
The new hydrogen bonded molecular complex 1,2,4-triazolium hydrogenselenate (THS) is prepared by the reaction of 1H-1,2,4-triazole and selenic acid. This complex is stabilised by N-H⋯O and C-H⋯O hydrogen bonding and electrostatic attractive forces between 1H and 1,2,4-triazolium cations and hydrogen selenate anions. The XRD studies revealed that intermolecular proton transfer occur from selenic acid to 1H-1,2,4-triazole molecule, results in the formation of 1,2,4-triazolium hydrogenselenate which contains 1,2,4-triazolium cations and hydrogenselenate anions. The molecular structure of THS crystal has also been optimised by using Density Functional Theory (DFT) using B3LYP/cc-pVTZ and B3LYP/6-311++G** methods in order to find the whole characteristics of the molecular complex. The theoretical structural parameters such as bond length, bond angle and dihedral angle determined by DFT methods are well agreed with the XRD parameters. The atomic charges and thermodynamic properties are also calculated and analysed. The energies of frontier molecular orbitals HOMO, LUMO, HOMO-1, LUMO+1 and LUMO-HUMO energy gap are calculated to understand the kinetic stability and chemical reactivity of the molecular complex. The natural bond orbital analysis (NBO) has been performed in order to study the intramolecular bonding interactions and delocalisation of electrons. These intra molecular charge transfer may induce biological activities such as antimicrobials, antiinflammatory, antifungal etc. The complete vibrational assignments of THS have been performed by using FT-IR and FT-Raman spectra.
Energy Technology Data Exchange (ETDEWEB)
Uryu, Mitsuru; Terada, Shuji; Shinohara, Takaharu; Yamazaki, Toshihiko; Nakayama, Kazuhiko [Power Reactor and Nuclear Fuel Development Corp., Tokai, Ibaraki (Japan). Tokai Works; Kondo, Toshinari; Hosoya, Hisashi
1997-10-01
The Tokai reprocessing facility buildings are constituted by a lower foundation, vibration controlling layers, and upper structure. At the vibration controlling layer, a laminated rubber aiming support of the building load and extension of the eigenfrequency and a damper aiming absorption of earthquake energy are provided. Of course, the facility buildings are directly supported at the arenaceous shale (Taga Layer) of the Miocene in the Neogene confirmed to the stablest ground, as well the buildings with high vibration resistant importance in Japan. This report shows that when the vibration controlling structure is adopted for the reprocessing facility buildings where such high vibration resistance is required, reduction of input acceleration for equipments and pipings can be achieved and the earthquake resistant safety can also be maintained with sufficient tolerance and reliability. (G.K.)
Abstract: Stoichiometry, Vibrational Modes and Structures of Molten Nb2O5-K2S2O7 Mixtures
DEFF Research Database (Denmark)
Boghosian, S.; Borup, F.; Berg, Rolf W.
1998-01-01
High temperature Raman spectroscopy is used tostudy the vibrational modes and structures of the Nb205-K2S207(0 stoichiometry are performed...... in order to characterise the complex(es) formed. The determination of stoichiometry is done following a general procedure which is based on a simple formalism correlating measurements of relative Raman band intensities with the stoichiometry of solutes in molten salt solvents....
Vibration of imperfect rotating disk
Directory of Open Access Journals (Sweden)
Půst L.
2011-12-01
Full Text Available This study is concerned with the theoretical and numerical calculations of the flexural vibrations of a bladed disk. The main focus of this study is to elaborate the basic background for diagnostic and identification methods for ascertaining the main properties of the real structure or an experimental model of turbine disks. The reduction of undesirable vibrations of blades is proposed by using damping heads, which on the experimental model of turbine disk are applied only on a limited number of blades. This partial setting of damping heads introduces imperfection in mass, stiffness and damping distribution on the periphery and leads to more complicated dynamic properties than those of a perfect disk. Calculation of FEM model and analytic—numerical solution of disk behaviour in the limited (two modes frequency range shows the splitting of resonance with an increasing speed of disk rotation. The spectrum of resonance is twice denser than that of a perfect disk.
Directory of Open Access Journals (Sweden)
Stephen M Talai
2016-12-01
Full Text Available This article pertains to the prediction of structural vibration frequencies from frictional temperature evolution through numerical simulation. To achieve this, a finite element analysis was carried on AISI 304 steel cantilever beam-like structures coupled with a lacing wire using the commercial software ABAQUS/CAE. The coupled temperature–displacement transient analysis simulated the frictional thermal generation. Furthermore, an experimental analysis was carried out with infrared cameras capturing the interfacial thermal images while the beams were subjected to forced excitation, thus validating the finite element analysis results. The analysed vibration frequencies using a MATLAB fast Fourier transform algorithm confirmed the validity of its prediction from the frictional temperature time domain waveform. This finding has a great significance to the mechanical and aerospace engineering communities for the effective structural health monitoring of dynamic structures online using infrared thermography, thus reducing the downtime and maintenance cost, leading to increased efficiency.
National Research Council Canada - National Science Library
Gragson, D
1997-01-01
We have employed vibrational sum frequency generation (VSFG) to investigate the structure of water at neat oil/water and air/water interfaces through the OH stretching modes of the interfacial water molecules...
Factor Structure for Autism Spectrum Disorders with Toddlers Using DSM-IV and DSM-5 Criteria
Sipes, Megan; Matson, Johnny L.
2014-01-01
With the publication of the "Diagnostic and Statistical Manual of Mental Disorders-Fifth Edition", autism spectrum disorders are defined by two symptom clusters (social communication and restricted/repetitive behaviors) instead of the current three clusters. The current study examined the structure of the Baby and Infant Screen for…
Pina-Camacho, Laura; Villero, Sonia; Boada, Leticia; Fraguas, David; Janssen, Joost; Mayoral, Maria; Llorente, Cloe; Arango, Celso; Parellada, Mara
2013-01-01
This systematic review aims to determine whether or not structural magnetic resonance imaging (sMRI) data support the DSM-5 proposal of an autism spectrum disorder (ASD) diagnostic category, and whether or not classical DSM-IV autistic disorder (AD) and Asperger syndrome (AS) categories should be subsumed into it. The most replicated sMRI findings…
Ambridge, Ben; Bannard, Colin; Jackson, Georgina H.
2015-01-01
Children with Autism Spectrum Disorder (ASD) aged 11-13 (N = 16) and an IQ-matched typically developing (TD) group aged 7-12 (N = 16) completed a graded grammaticality judgment task, as well as a standardized test of cognitive function. In a departure from previous studies, the judgment task involved verb argument structure overgeneralization…
Structural Equation Analysis of a Hypothesised Symptom Model in the Autism Spectrum
van Lang, Natasja D. J.; Boomsma, Anne; Sytema, Sjoerd; de Bildt, Annelies A.; Kraijer, Dirk W.; Ketelaars, Cees; Minderaa, Ruud B.
2006-01-01
Background: Several studies showed a different symptom structure underlying the spectrum of autistic-like disorders from the behaviour triad as mentioned in the DSM-IV. In the present study, a hypothesised symptom model for autism was constructed, based on earlier explorative findings, and was put to a confirmatory test. Method: Items from the…
The Structure of Autism Spectrum Disorder Symptoms in the General Population at 18 Months
Beuker, Karin T.; Schjolberg, Synnve; Lie, Kari Kveim; Donders, Rogier; Lappenschaar, Martijn; Swinkels, Sophie H. N.; Buitelaar, Jan K.
2013-01-01
It is unclear whether symptoms of autism spectrum disorder (ASD) in young children in the population fit the three-factor structure of ASD as described in the DSM-IV, and cluster together in individual subjects. This study analysed questionnaire data on ASD symptoms filled in by mothers of 11,332 18-month-old children that was collected in the…
Directory of Open Access Journals (Sweden)
Renyer Alves Costa
2016-01-01
Full Text Available A detailed structural analysis and spectral behavior of the glucoalkaloid strictosidine, a precursor of all monoterpene indole alkaloids, are discussed. The experimental NMR, FTIR, and UV results were compared to the theoretical DFT spectra calculated by Becke using the three-parameter Lee-Yang-Parr (B3LYP function with 6-31G(d and 6-311++G(2d,p basis sets. The theoretical geometry optimization data were compared with the X-ray data for precursors and similar structures in the associated literature. The similarity between the theoretical and experimental coupling constants values made it possible to affirm the values of dihedral angles and their configuration, reinforcing findings from previous stereochemical studies. Theoretical UV analysis agreed well with the measured experimental data, with bands assigned. Calculated HOMO/LUMO gaps show low excitation energy for strictosidine, justifying its stability and reaction kinetics. The molecular electrostatic potential map shows opposite potentials regions that form hydrogen bonds that stabilize the dimeric form, which were confirmed by excellent agreement of the dimeric form theoretical wavenumbers with the experimental IR spectrum. ESI-MS/MS data revealed patterns for the fragmentation of the protonated strictosidine molecule outlined by an NBO study.
Vibration of hydraulic machinery
Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong
2013-01-01
Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...
Prabha, E. Arockia Jeya Yasmi; Kumar, S. Suresh; Athimoolam, S.; Sridhar, B.
2017-02-01
In the present work, a new co-crystal of nicotinic acid with pyrogallol (NICPY) has been grown in the zwitterionic form and the corresponding structural, vibrational, thermal, solubility and anti-cancer characteristics have been reported. The single crystal X-ray diffraction analysis confirms that the structural molecular packing of the crystal stabilized through N-H⋯O and O-H⋯O hydrogen bond. The stabilization energy of the hydrogen bond motifs were calculated in the solid state. Vibrational spectral studies such as Fourier transform-infrared (FT-IR) and FT-Raman were adopted to understand the zwitterionic co-crystalline nature of the compound, which has been compared with theoretically calculated vibrational frequencies. The thermal stability of the grown co-crystal was analyzed by TG/DTA study. The solubility of the NICPY co-crystal was investigated in water at different temperature and compared with that of the nicotinic acid, which is the parent compound of NICPY co-crystal. The grown crystals were treated with human cervical cancer cell line (HeLa) to analyze the cytotoxicity of NICPY crystals and compared with the parent compound, which shows that NICPY has moderate activity against human cervical cancer cell line.
Microscopic structure of high-spin vibrational states in superdeformed A=190 nuclei
Energy Technology Data Exchange (ETDEWEB)
Nakatsukasa, Takashi [Chalk River Labs., Ontario (Canada); Matsuyanagi, Kenichi [Kyoto Univ. (Japan); Mizutori, Shoujirou [Oak Ridge National Lab., TN (United States)] [and others
1996-12-31
Microscopic RPA calculations based on the cranked shell model are performed to investigate the quadrupole and octupole correlations for excited superdeformed (SD) bands in even-even A=190 nuclei. The K = 2 octupole vibrations are predicted to be the lowest excitation modes at zero rotational frequency. The Coriolis coupling at finite frequency produces different effects depending on the neutron and proton number of nucleus. The calculations also indicate that some collective excitations may produce moments of inertia almost identical to those of the yrast SD band. An interpretation of the observed excited bands invoking the octupole vibrations is proposed, which suggests those octupole vibrations may be prevalent in even-even SD A=190 nuclei.
Wang, Jie; Chen, Xiaoyun; Clarke, Matthew L; Chen, Zhan
2006-03-16
Structural changes of fibrinogen after adsorption to polystyrene (PS) were examined at the PS/protein solution interface in situ using sum frequency generation (SFG) vibrational spectroscopy and attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR). Different behaviors of hydrophobic side chains and secondary structures of adsorbed fibrinogen molecules have been observed. Our results indicate that upon adsorption, the hydrophobic PS surface induces fast structural changes of fibrinogen molecules by aligning some hydrophobic side chains in fibrinogen so that they face to the surface. Such structural changes of fibrinogen hydrophobic side chains are local changes and do not immediately induce significant changes of the protein secondary structures. Our research also shows that the interactions between adsorbed fibrinogen and the PS surface can induce significant changes of protein secondary structures or global conformations which occur on a much longer time scale.
Duong, Chinh H; Gorlova, Olga; Yang, Nan; Kelleher, Patrick J; Johnson, Mark A; McCoy, Anne B; Yu, Qi; Bowman, Joel M
2017-08-17
Vibrational spectroscopy of the protonated water trimer provides a stringent constraint on the details of the potential energy surface (PES) and vibrational dynamics governing excess proton motion far from equilibrium. Here we report the linear spectrum of the cold, bare H(+)(H2O)3 ion using a two-color, IR-IR photofragmentation technique and follow the evolution of the bands with increasing ion trap temperature. The key low-energy features are insensitive to both D2 tagging and internal energy. The D2-tagged D(+)(D2O)3 spectrum is reported for the first time, and the isotope dependence of the band pattern is surprisingly complex. These spectra are reproduced by large-scale vibrational configuration interaction calculations based on a new full-dimensional PES, which treat the anharmonic effects arising from large amplitude motion. The results indicate such extensive mode mixing in both isotopologues that one should be cautious about assigning even the strongest features to particular motions, especially for the absorptions that occur close to the intramolecular bending mode of the water molecule.
Directory of Open Access Journals (Sweden)
Lukas Bernhauser
2017-03-01
Full Text Available Increasing quality demands of combustion engines require, amongst others, improvements of the engine’s acoustics and all (subcomponents mounted to the latter. A significant impact to the audible tonal noise spectrum results from the vibratory motions of fast-rotating turbocharger rotor systems in multiple hydrodynamic bearings such as floating bearing rings. Particularly, the study of self-excited non-linear vibrations of the rotor-bearing systems is crucial for the understanding, prevention or reduction of the noise and, consequently, for a sustainable engine acoustics development. This work presents an efficient modeling approach for the investigation, optimization, and design improvement of complex turbocharger rotors in hydrodynamic journal bearings, including floating bearing rings with circular and non-circular bearing geometries. The capability of tonal non-synchronous vibration prevention using non-circular bearing shapes is demonstrated with dynamic run-up simulations of the presented model. These findings and the performance of our model are compared and validated with results of a classical Laval/Jeffcott rotor-bearing model and a specific turbocharger model found in the literature. It is shown that the presented simulation method yields fast and accurate results and furthermore, that non-circular bearing shapes are an effective measure to reduce or even prevent self-excited tonal noise.
Singh, Swapnil; Singh, Harshita; Srivastava, Anubha; Tandon, Poonam; Sinha, Kirti; Bharti, Purnima; Kumar, Sudhir; Kumar, Padam; Maurya, Rakesh
2014-11-11
In the present work, a detailed conformational study of cladrin (3-(3,4-dimethoxy phenyl)-7-hydroxychromen-4-one) has been done by using spectroscopic techniques (FT-IR/FT-Raman/UV-Vis/NMR) and quantum chemical calculations. The optimized geometry, wavenumber and intensity of the vibrational bands of the cladrin in ground state were calculated by density functional theory (DFT) employing 6-311++G(d,p) basis sets. The study has been focused on the two most stable conformers that are selected after the full geometry optimization of the molecule. A detailed assignment of the FT-IR and FT-Raman spectra has been done for both the conformers along with potential energy distribution for each vibrational mode. The observed and scaled wavenumber of most of the bands has been found to be in good agreement. The UV-Vis spectrum has been recorded and compared with calculated spectrum. In addition, 1H and 13C nuclear magnetic resonance spectra have been also recorded and compared with the calculated data that shows the inter or intramolecular hydrogen bonding. The electronic properties such as HOMO-LUMO energies were calculated by using time-dependent density functional theory. Molecular electrostatic potential has been plotted to elucidate the reactive part of the molecule. Natural bond orbital analysis was performed to investigate the molecular stability. Non linear optical property of the molecule have been studied by calculating the electric dipole moment (μ) and the first hyperpolarizability (β) that results in the nonlinearity of the molecule. Copyright © 2014 Elsevier B.V. All rights reserved.
Influence of filling pattern structure on synchrotron radiation and beam spectrum at ANKA
Energy Technology Data Exchange (ETDEWEB)
Steinmann, Johannes; Brosi, Miriam; Bruendermann, Erik; Caselle, Michele; Blomley, Edmund; Hiller, Nicole; Kehrer, Benjamin; Mueller, Anke-Susanne; Schoenfeldt, Patrik; Schuh, Marcel; Schwarz, Markus; Siegel, Michael [Karlsruher Institut fuer Technologie, Karlsruhe (Germany)
2016-07-01
We present the effects of the filling pattern structure in multi-bunch mode on the beam spectrum. This effects can be seen by all detectors whose resolution is better than the RF frequency, ranging from stripline and Schottky measurements to high resolution synchrotron radiation measurements. Our heterodyne measurements of the emitted coherent synchrotron radiation at 270 GHz reveal the discrete frequency harmonics around the 100'000 revolution harmonic of ANKA, the synchrotron radiation facility in Karlsruhe, Germany. Significant effects of bunch spacing, gaps between bunch trains and variations in individual bunch currents on the emitted CSR spectrum are described by theory and supported by observations.
CHARACTERIZATION OF THE FORMATION OF FILTER PAPER USING THE BARTLETT SPECTRUM OF THE FIBER STRUCTURE
Directory of Open Access Journals (Sweden)
Martin Lehmann
2013-06-01
Full Text Available The formation index of filter paper is one of the most important characteristics used in industrial quality control. Its estimation is often based on subjective comparison chart rating or, even more objective, on the power spectrum of the paper structure observed on a transmission light table. It is shown that paper formation can be modeled as Gaussian random fields with a well defined class of correlation functions, and a formation index can be derived from the density of the Bartlett spectrum estimated from image data. More precisely, the formation index is the mean of the Bessel transform of the correlation taken for wave lengths between 2 and 5 mm.
Pearson, J. C.; Pickett, Herbert M.; Sastry, K. V. L. N.
2000-01-01
C2H5CN (Propionitrile or ethyl cyanide) is a well known interstellar species abundantly observed in hot cores during the onset of star formation. The onset of star formation generally results in elevated temperature, which thermally populates may low lying vibrational states such as the 206/cm in-plane bend and the 212/cm first excited torsional state in C2H5CN. Unfortunately, these two states are strongly coupled through a complex series of torsion-vibration-rotation interactions, which dominate the spectrum. In order to understand the details of these interactions and develop models capable of predicting unmeasured transitions for astronomical observations in C2H5CN and similar molecules, several thousand rotational transitions in the lowest excited in-plane bend and first excited torsional state have been recorded, assigned and analyzed. The analysis reveals very strong a- and b-type Coriolis interactions and a number of other smaller interactions and has a number of important implications for other C3V torsion-rotation-vibration systems. The relative importance and the physical origins of the coupling among the rotational, vibrational and torsional motions will be presented along with a full spectroscopic analysis and supporting astronomical observations.
A structure preserving Lanczos algorithm for computing the optical absorption spectrum
Energy Technology Data Exchange (ETDEWEB)
Shao, Meiyue [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Div.; Jornada, Felipe H. da [Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Div.; Lin, Lin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Div.; Univ. of California, Berkeley, CA (United States). Dept. of Mathematics; Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Div.; Deslippe, Jack [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Louie, Steven G. [Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Div.
2016-11-16
We present a new structure preserving Lanczos algorithm for approximating the optical absorption spectrum in the context of solving full Bethe-Salpeter equation without Tamm-Dancoff approximation. The new algorithm is based on a structure preserving Lanczos procedure, which exploits the special block structure of Bethe-Salpeter Hamiltonian matrices. A recently developed technique of generalized averaged Gauss quadrature is incorporated to accelerate the convergence. We also establish the connection between our structure preserving Lanczos procedure with several existing Lanczos procedures developed in different contexts. Numerical examples are presented to demonstrate the effectiveness of our Lanczos algorithm.
Kougioumtzoglou, I. A.; Fragkoulis, V. C.; Pantelous, A. A.; Pirrotta, A.
2017-09-01
A frequency domain methodology is developed for stochastic response determination of multi-degree-of-freedom (MDOF) linear and nonlinear structural systems with singular matrices. This system modeling can arise when a greater than the minimum number of coordinates/DOFs is utilized, and can be advantageous, for instance, in cases of complex multibody systems where the explicit formulation of the equations of motion can be a nontrivial task. In such cases, the introduction of additional/redundant DOFs can facilitate the formulation of the equations of motion in a less labor intensive manner. Specifically, relying on the generalized matrix inverse theory, a Moore-Penrose (M-P) based frequency response function (FRF) is determined for a linear structural system with singular matrices. Next, relying on the M-P FRF a spectral input-output (excitation-response) relationship is derived in the frequency domain for determining the linear system response power spectrum. Further, the above methodology is extended via statistical linearization to account for nonlinear systems. This leads to an iterative determination of the system response mean vector and covariance matrix. Furthermore, to account for singular matrices, the generalization of a widely utilized formula that facilitates the application of statistical linearization is proved as well. The formula relates to the expectation of the derivatives of the system nonlinear function and is based on a Gaussian response assumption. Several linear and nonlinear MDOF structural systems with singular matrices are considered as numerical examples for demonstrating the validity and applicability of the developed frequency domain methodology.
Oomens, J.; Kraka, E.; Nguyen, M. K.; Morton, T. H.
2008-01-01
The multiple CF bond character of PhCFMe+ ions has been examined by means of theory, vibrational spectroscopy of the gaseous ions, and unimolecular decomposition chemistry. Atoms in Molecules analysis of DFF wave functions gives a CF bond order of n = 1.25 (as compared with n = 1.38 for Me2CF+,
Advances in nonlinear vibration analysis of structures. Part-I. Beams
Indian Academy of Sciences (India)
Unknown
Sathyamoorthy (1973) developed modal equations for the nonlinear vibrations of beams, plates, rings and shells ... three symmetric matrices – linear matrix K, nonlinear matrices N1 and N2, and also expressed equilibrium ... system level and the use of different connotations for ω, adopted by many earlier formulations (Mei ...
Acoustic determination of cracks in welded joints. [by resonant structural vibration measurements
Baltanoiu, M.; Criciotoiu, E.
1974-01-01
The acoustic analysis method permits detection of any cracks that might take place and their manner of propagation. The study deals with the cracks produced in experiments to determine the welding technology for a welded gray cast iron workpiece by using piezoelectric transducers to determine vibration acceleration.
Fatigue damage from random vibration pulse process of tubular structural elements subject to wind
DEFF Research Database (Denmark)
Christensen, Claus F.; Ditlevsen, Ove Dalager
1997-01-01
In a wide range of the Reynolds number an elastically suspended circular cylinder surrounded by a homogeneous wind velocity field will generate vortex shedding of a frequency that by and large is proportional to the far field wind velocity. However, if the cylinder is free to vibrate, resonance w...
Arivazhagan, M.; Anitha Rexalin, D.
2013-03-01
The FT-IR and FT-Raman vibrational spectra of ninhydrin have been recorded in the range 4000-400 cm-1and 3600-50 cm-1, respectively. A detailed vibrational spectral analysis has been carried out and assignments of the observed fundamental bands have been proposed on the basis of peak positions and relative intensities. The optimized molecular geometry, vibrational frequencies, atomic charges, dipole moment, rotational constants and several thermodynamic parameters in the ground state are calculated using ab initio HF and density functional B3LYP methods with 6-311++G(d,p) basis set combination. In order to find the most optimized geometry, the energy calculations are carried out for various possible conformers. Keto and enol forms of ninhydrin are also studied. The condensed summary of the principal NBOs shows the occupancy, orbital energy and the qualitative pattern of delocalization interactions of ninhydrin. The calculated HOMO-LUMO energies reveal that charge transfer occurs within the molecule. The predicted first hyperpolarizability also shows that the ninhydrin molecule have good optical quality and nonlinear optical (NLO) behavior. With the help of specific scaling procedures, the observed vibrational wave numbers in FT-IR and FT-Raman spectra are analyzed and assigned to different normal modes of the molecule.
Fluid-Structure Interaction in Combustion System of a Gas Turbine—Effect of Liner Vibrations
Pozarlik, Artur Krzysztof; Kok, Jacobus B.W.
2014-01-01
Prediction of mutual interaction between flow, combustion, acoustic, and vibration phenomena occurring in a combustion chamber is crucial for the reliable operation of any combustion device. In this paper, this is studied with application to the combustion chamber of a gas turbine. Very dangerous
Numerical Study of Structural Vibration Induced by Combustion Noise - One Way Interaction
Pozarlik, Artur Krzysztof; Kok, Jacobus B.W.
2007-01-01
The turbulent flame in the lean combustion regime in a gas turbine combustor generates significant thermo-acoustic noise. The thermo-acoustic noise induces liner vibrations that may lead to fatigue damage of the combustion system. This phenomenon is investigated in the project FLUISTCOM using both
Structure of the extended-spectrum β-lactamase TEM-72 inhibited by citrate.
Docquier, Jean Denis; Benvenuti, Manuela; Calderone, Vito; Rossolini, Gian Maria; Mangani, Stefano
2011-03-01
TEM-72, a class A β-lactamase identified in isolates of Enterobacteriaceae, is a quadruple mutant of TEM-1 (Q39K, M182T, G238S and E240K) and shows extended-spectrum β-lactamase (ESBL) properties arising from the G238S and E240K substitutions. Although many structures of TEM variants have been published, they do not include an enzyme with the simultaneous presence of both of the ESBL-conferring G238S and E240K substitutions. Furthermore, the structure shows the presence of a citrate anion bound to the TEM-72 active site, where it interacts with all of the conserved residues of class A β-lactamases. The present structure supports the use of polycarboxylates as a scaffold for the design of broad-spectrum inhibitors of serine β-lactamases.
Nuclear quantum effects in the structure and lineshapes of the N2 NEXAFS spectrum
Energy Technology Data Exchange (ETDEWEB)
Fatehi, Shervin; Schwartz, Craig P.; Saykally, Richard J.; Prendergast, David
2009-12-04
We study the relative ability of several models of the X-ray absorption spectrum to capture the Franck-Condon structure apparent from an experiment on gaseous nitrogen. In doing so, we adopt the Born-Oppenheimer approximation and a constrained density functional theory method for computing the energies of the X-ray-excited molecule. Starting from an otherwise classical model for the spectrum, we systematically introduce more realistic physics, first by substituting the quantum mechanical nuclear radial density in the bond separation R for the classical radial density, then by adding the effect of zero-point energy and other level shifts, and finally by including explicit rovibrational quantization of both the ground and excited states. The quantization is determined exactly, using a discrete variable representation. We show that the NEXAFS spectrum can be predicted semiquantiatively within this framework. We also address the possibility of non-trivial temperature dependence in the spectrum. Finally, we show that it is possible to improve the predicted spectrum by using constrained DFT in combination with more accurate potentials.
Yenagi, Jayashree; Shettar, Anita; Tonannavar, J
2011-09-01
FT-Infrared (4000-400 cm(-1)) and NIR-FT-Raman (4000-50 cm(-1)) spectral measurements have been made for 2-chloro- and 2-bromo-3-pyridinecarboxaldehydes. A DFT vibration analysis at B3LYP/6-311++G (d,p) level, valence force-fields and vibrational mode calculations have been performed. Aided by very good agreement between observed and computed vibration spectra, a complete assignment of fundamental vibration modes to the observed absorptions and Raman bands has been proposed. Orientations of the aldehydic group have produced two oblate asymmetric rotamers for each molecule, ON-trans and ON-cis: the ON-trans rotamer being more stable than cis by 3.42 kcal mol(-1) for 2-chloro-3-pyridinecarboxaldehyde and 3.68 kcal mol(-1) for 2-bromo-3-pyridinecarboxaldehyde. High potential energy barrier ca 14 kcal/mol, induced by steric hindrance, restricts rotamers' population to ON-trans only. It is observed that, in the presence of bromine, C-H stretching modes are pronounced; a missing characteristic ring mode in chlorine's presence shows at 1557 cm(-1); the characteristic ring mode at 1051 cm(-1) is diminished; a mixed mode near 707 cm(-1) is enhanced. Further, an observed doublet near 1696-1666 cm(-1) in both IR and Raman spectra is explained on the basis of Fermi resonance between aldehydic carbonyl stretching at 1696 cm(-1) and a combination mode of ring stretch near 1059 cm(-1) and deformation vibration, 625 cm(-1). A strong Raman aldehydic torsional mode at 62 cm(-1) is interpreted to correspond to the dominant ON-trans over cis rotamers population. Copyright © 2011 Elsevier B.V. All rights reserved.
Arivazhagan, M.; Thilagavathi, G.
2012-06-01
Vibrational spectral measurements, namely, FT-infrared (4000-400 cm-1) and FT-Raman (3500-50 cm-1) spectra have been made for 2-hydroxy-6-nitrotoluene (HNT) and assigned to different normal modes of the molecule. Quantum chemical calculations of energies, geometrical structure, harmonic vibrational frequencies intensities and vibrational wavenumbers of HNT were carried out by ab initio HF and density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis set. The differences between the observed and scaled wave number values of most of the fundamentals are very small. The values of the total dipole moment (μ) and first hyperpolarizability (β) of the investigated molecule were computed by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set quantum mechanical calculations. The calculated results also show that the HNT molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. A detailed interpretation of the infrared and Raman spectra of HNT is also reported based on total energy distribution (TED). The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The results of the calculations were applied to simulated infrared and Raman spectra of the title compound which showed excellent agreement with the observed spectra.
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.
Faizan, Mohd; Alam, Mohammad Jane; Ahmad, Shabbir
2017-11-01
In the present investigation, spectroscopic techniques (FTIR, FT-Raman and UV-Vis) and quantum chemical calculations are employed for exploring vibrational and electronic spectra of sulindac compound. The calculations are performed on most stable conformer of the sulindac molecule using density functional theory (DFT). Anharmonic corrections are made to frequencies using vibrational second-order perturbation theory (VPT2). The effect of intermolecular interactions on the vibrational dynamics has been analyzed using dimeric structure of sulindac molecule. Hirshfeld surface analysis and 2D fingerprint plots are utilized to investigate the nature of interaction present in the crystal system. To account for electronic spectra in different solvents, an integral equation formalism of polarizable continuum model (IEFPCM) at TD-DFT/B3LYP/6-31G(d,p) level of theory has been employed. An excellent agreement between the theoretical and experimental data over the entire spectral region is observed. In addition, natural bond orbital (NBO) analysis, frontier molecular orbitals, nonlinear optical properties (NLO) and molecular electrostatic potential (MEP) analysis are also reported.
Egawa, Toru; Shinashi, Kiyoaki; Ueda, Toyotoshi; Ocola, Esther J; Chiang, Whe-Yi; Laane, Jaan
2014-02-13
The vapor-phase Raman spectra of cis- and trans-stilbene have been collected at high temperatures and assigned. The low-frequency skeletal modes were of special interest. The molecular structures and vibrational frequencies of both molecules have also been obtained using MP2/cc-pVTZ and B3LYP/cc-pVTZ calculations, respectively. The two-dimensional potential map for the internal rotations around the two Cphenyl-C(═C) bonds of cis-stilbene was generated by using a series of B3LYP/cc-pVTZ calculations. It was confirmed that the molecule has only one conformer with C2 symmetry. The energy level calculation with a two-dimensional Hamiltonian was carried out, and the probability distribution for each level was obtained. The calculation revealed that the "gearing" internal rotation in which the two phenyl rings rotate with opposite directions has a vibrational frequency of 26 cm(-1), whereas that of the "antigearing" internal rotation in which the phenyl rings rotate with the same direction is about 52 cm(-1). In the low vibrational energy region the probability distribution for the gearing internal rotation is similar to that of a one-dimensional harmonic oscillator, and in the higher region the motion behaves like that of a free rotor.
Directory of Open Access Journals (Sweden)
Alberto Sánchez
2014-03-01
Full Text Available 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.
Yedukondalu, N.; Vaitheeswaran, G.
2015-08-01
Potassium 1,1'-dinitroamino-5,5'-bistetrazolate (K2DNABT) is a nitrogen rich (50.3% by weight, K2C2N12O4) green primary explosive with high performance characteristics, namely, velocity of detonation (D = 8.33 km/s), detonation pressure (P = 31.7 GPa), and fast initiating power to replace existing toxic primaries. In the present work, we report density functional theory (DFT) calculations on structural, equation of state, vibrational spectra, electronic structure, and absorption spectra of K2DNABT. We have discussed the influence of weak dispersive interactions on structural and vibrational properties through the DFT-D2 method. We find anisotropic compressibility behavior (btoxic lead azide and harder than the most sensitive cyanuric triazide. A complete assignment of all the vibrational modes has been made and compared with the available experimental results. The calculated zone center IR and Raman frequencies show a blue-shift which leads to a hardening of the lattice upon compression. In addition, we have also calculated the electronic structure and absorption spectra using recently developed Tran Blaha-modified Becke Johnson potential. It is found that K2DNABT is a direct band gap insulator with a band gap of 3.87 eV and the top of the valence band is mainly dominated by 2p-states of oxygen and nitrogen atoms. K2DNABT exhibits mixed ionic (between potassium and tetrazolate ions) and covalent character within tetrazolate molecule. The presence of ionic bonding suggests that the investigated compound is relatively stable and insensitive than covalent primaries. From the calculated absorption spectra, the material is found to decompose under ultra-violet light irradiation.
Wang, Yan; Liang, Da-Kai; Zhou, Bing
2008-11-01
The consideration on the durability of concrete structures with reinforcement corrosion has become a most urgent problem. A new technique to measure the corrosion of steel in concrete structures was proposed in the present paper. It is based on the microbending characteristic of long period optical grating (LPFG). The temperature spectum character and curvature spectrum character of long period optical fiber grating were studied first. It was shown that the transmission spectrum of long period optical fiber grating shifted right and the transmission of the resonance wavelength was invariable when the temperature increased, while the transmission spectrum of long period optical fiber grating became shallow when the curvature increased, the transmission of the resonance wavelength would increase and it was linear with the curvature. On the basis of the characteristic, a notch shaped pedestal was designed and a long period optical fiber grating was laid on the steel surface. With this method the radial expansion of the steel resulting from the steel corrosion would translate into the curvature of the long period optical fiber grating. The curvature of long period optical fiber grating could be obtained by analyzing the change of spectrum, and then the steel corrosion depth could be measured. This method is simple and immediate and is independent of the variety in temperature, strain and refractive index owing to the inimitable spectrum characteristic of long period optical fiber grating. From the experiment it was found that the precision of the corrosion depth was better than 1.2 microm, and the corrosion depth of 3 mm could be achieved. This measurement could be used to monitor the early to metaphase corrosion of reinforcing steel in concrete structures.
Ab initio prediction of the rotation-vibration spectrum of H/sub 3//sup +/ and D/sub 3//sup +/
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Carney, G.D.; Porter, R.N.
1980-08-18
the first few lines in the P, Q, and R branches of the rotation-vibration spectra of the equilateral-triangle molecular ions H/sub 3//sup +/ and D/sub 3//sup +/, obtained by ab initio nonperturbative calculations, are reported. Comparison with observations indicates an accuracy better than 1% was obtained for both the infrared-active fundamental vibration frequency and the equilibrium internuclear distances.
DEFF Research Database (Denmark)
Stokbro, Kurt
1999-01-01
We report a first principles study of the structure and the vibrational properties of the Si(100)-H(2 x 1) surface in an electric field. The calculated vibrational parameters are used to model the vibrational modes in the presence of the electric field corresponding to a realistic scanning...... at room temperature). We calculate the implications for current induced desorption of H using a recently developed first principles model of electron inelastic scattering. The calculations show that inelastic scattering events with energy transfer n (h) over bar omega, where n>1, play an important role...
FEATURES OF WELDED TITANIUM STRUCTURE ELEMENT DESTRUCTION (RIBBED PANELS UNDER VIBRATION LOADS
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Mr. Pavel V. Bakhmatov
2016-12-01
Full Text Available The article presents data on the experimental studies results of welded ribbed panel vibration load of the BT-20 titanium alloy. It was established that in the areas of attachment, there is elevated dynamic alternating stress, which in combination with the "hard" of the sample holder creates favorable conditions for the emergence and development of fatigue cracks, and stress concentrators greatly reduce the time before the formation of the hearth destruction. An exception in these zones of superficial defects do not affect the nature and kinetics of destruction. Construction of titanium alloys made in the application of gas-laser cutting blanks for optimal regimes in the technical environment of nitrogen and subsequent heat treatment on vibration reliability is not inferior to design, made by traditional technology.
Jin, Guoyong; Su, Zhu
2015-01-01
This book develops a uniform accurate method which is capable of dealing with vibrations of laminated beams, plates and shells with arbitrary boundary conditions including classical boundaries, elastic supports and their combinations. It also provides numerous solutions for various configurations including various boundary conditions, laminated schemes, geometry and material parameters, which fill certain gaps in this area of reach and may serve as benchmark solutions for the readers. For each case, corresponding fundamental equations in the framework of classical and shear deformation theory are developed. Following the fundamental equations, numerous free vibration results are presented for various configurations including different boundary conditions, laminated sequences and geometry and material properties. The proposed method and corresponding formulations can be readily extended to static analysis.
Goos-Hänchen effect for optical vibrational modes in a semiconductor structure
Villegas, Diosdado; Arriaga, J.; de León-Pérez, Fernando; Pérez-Álvarez, R.
2017-03-01
We study the tunneling of optical vibrational modes with transverse horizontal polarization that impinge, at a given angle, on a semiconductor heterostructure. We find a large influence of the Goos-Hänchen shift on tunneling times. In particular, a Goos-Hänchen shift larger than the barrier thickness is reported for the first time. The relation between Goos-Hänchen and Hartman effects is also discussed. The identity that equals the dwell time to the sum of transmission and interference times, previously derived for one-dimensional tunneling problems, is extended to the two-dimensional case. Closed-form expressions are developed for the relevant quantities. Instead of using the standard approach, the interference time is computed from the vibrational energy density. The present study could be useful for the design of semiconductor devices.
Nuclear magnetic resonance T 2 spectrum: multifractal characteristics and pore structure evaluation
Yan, Jian-Ping; He, Xu; Geng, Bin; Hu, Qin-Hong; Feng, Chun-Zhen; Kou, Xiao-Pan; Li, Xing-Wen
2017-06-01
Pore structure characteristics are important to oil and gas exploration in complex low-permeability reservoirs. Using multifractal theory and nuclear magnetic resonance (NMR), we studied the pore structure of low-permeability sandstone rocks from the 4th Member (ES4) of the Shahejie Formation in the south slope of the Dongying Sag. We used the existing pore structure data from petrophysics, core slices, and mercury injection tests to classify the pore structure into three categories and five subcategories. Then, the T 2 spectra of samples with different pore structures were interpolated, and the one- and three-dimensional fractal dimensions and the multifractal spectrum were obtained. Parameters α (intensity of singularity) and f (α) (density of distribution) were extracted from the multifractal spectra. The differences in the three fractal dimensions suggest that the pore structure types correlate with α and f (α). The results calculated based on the multifractal spectrum is consistent with that of the core slices and mercury injection. Finally, the proposed method was applied to an actual logging profile to evaluate the pore structure of low-permeability sandstone reservoirs.
Ai, Binling; Chi, Xue; Meng, Jia; Sheng, Zhanwu; Zheng, Lili; Zheng, Xiaoyan; Li, Jianzheng
2017-12-01
Undefined mixed culture-based fermentation is an alternative strategy for biofuels and bioproducts production from lignocellulosic biomass without supplementary cellulolytic enzymes. Mixed culture produces mixed carboxylates. To estimate the relationship between microbial community structure and product spectrum, carboxylate production was initiated by mixed cultures with different microbial community structure. All the inoculum cultures were derived from the same enrichment culture from the combination of cattle manure, pig manure compost, corn field soil and rotten wood. Due to the differences in the preparation method and culture time, the inoculum cultures for batch fermentation had high similarity in microbial community structure, while the community structure of each inoculum culture for repeated batch fermentation differed from that of another. The inoculum cultures with similar community structure led to a similar product spectrum. In batch fermentation, the selectivity of main product butyric acid stabilized around 76%. The inoculum cultures with different community structures resulted in different product spectra. In repeated batch fermentation, the butyric acid content gradually decreased to 27%, and the by-product acetic acid content steadily increased to 56%. The other by-products including propionic, valeric and caproic acids were also increased. It is deduced that keeping the microbial community structure stable makes the basic and key precondition for steady production of specific carboxylic acid with undefined mixed culture.
On the Soft Limit of the Large Scale Structure Power Spectrum: UV Dependence
Garny, Mathias; Porto, Rafael A; Sagunski, Laura
2015-01-01
We derive a non-perturbative equation for the large scale structure power spectrum of long-wavelength modes. Thereby, we use an operator product expansion together with relations between the three-point function and power spectrum in the soft limit. The resulting equation encodes the coupling to ultraviolet (UV) modes in two time-dependent coefficients, which may be obtained from response functions to (anisotropic) parameters, such as spatial curvature, in a modified cosmology. We argue that both depend weakly on fluctuations deep in the UV. As a byproduct, this implies that the renormalized leading order coefficient(s) in the effective field theory (EFT) of large scale structures receive most of their contribution from modes close to the non-linear scale. Consequently, the UV dependence found in explicit computations within standard perturbation theory stems mostly from counter-term(s). We confront a simplified version of our non-perturbative equation against existent numerical simulations, and find good agr...
Coutinho, S. S.; Tavares, M. S.; Barboza, C. A.; Frazão, N. F.; Moreira, E.; Azevedo, David L.
2017-12-01
We report the results of a theoretical study on the behavior of the structural, optoelectronic, vibrational, including infrared and Raman theoretical spectra, phonon spectrum, and thermodynamic properties of 3R- and 2H- polytypes of molybdenum disulfide (MoS2) using density functional theory (DFT) considering both the local density and generalized gradient approximation, LDA and GGA, respectively. Calculated lattice parameters are close to the experimental measurements, and an indirect band gap E(A →KΓ) = 1.33 eV (0.68 eV) was obtained within the GGA (LDA) level of calculation, considering the 3R-polytype, and for the 2H- polytype an indirect band gap E(Γ → KΓ) = 1.30 eV (0.70 eV) was obtained within the GGA (LDA) approximation. The complex dielectric function and absorption of 3R-MoS2 and 2H-MoS2 polytypes were shown to be sensitive to the plane of polarization of the incident light. The phonon dispersion relation together with density of states (DOS) as well as theoretical peaks of the infrared (IR) and Raman spectra in the frequency range of 0-800 cm-1 was analyzed and assigned, considering the norm-conserved pseudopotentials. The thermodynamic potentials, the specific heat at constant volume and Debye temperature of the 3R-MoS2 and 2H-MoS2 polytypes are also calculated, whose dependence on the temperature are discussed.
Zyubin, A.; Konstantinova, E.; Slezhkin, V.; Matveeva, K.; Samusev, I.; Bryukhanov, V.
2017-12-01
In this paper we perform results of conformational analysis of septic human serum albumin (HSA) carried out by Raman spectroscopy (RS), infrared (IR) spectroscopy and fluorescent spectroscopy. The main vibrational groups were identified and analyzed for septic HSA and its health control. Comparison between Raman and IR results were done. Fluorescent spectral changes of Trp-214 group were analyzed. Application of Raman, IR spectroscopy, fluorescent spectroscopy for conformational changes study of HSA during pathology were shown.
Xu, Ben; Poduska, Kristin M
2014-09-07
We demonstrate a correlation between how an IR-active vibrational mode responds to temperature changes and how it responds to crystallinity differences. Infrared (IR) spectroscopy was used to track changes in carbonate-related vibrational modes in three different CaCO3 polymorphs (calcite, aragonite, and vaterite) and CaMg(CO3)2 (dolomite) during heating. Of the three characteristic IR-active carbonate modes, the in-plane bending mode (ν4) shows the most pronounced changes with heating in polymorphs that have planar carbonate arrangements (calcite, aragonite, and dolomite). In contrast, this mode is virtually unchanged in vaterite, which has a canted arrangement of carbonate units. We correlate these trends with recent studies that identified the ν4 mode as most susceptible to changes related to crystallinity differences in calcite and amorphous calcium carbonate. Thus, our results suggest that studies of packing arrangements could provide a generalizable approach to identify the most diagnostic vibrational modes for tracking either temperature-dependent or crystallinity-related effects in IR-active solids.
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Rebecca M.E. Steketee
2016-01-01
Conclusion: PhFTD and bvFTD show overlapping cortical structural abnormalities indicating a continuum of changes especially in the frontotemporal regions. Together with functional changes suggestive of a compensatory response to incipient pathology in the left prefrontal regions, these findings are the first to support a possible neuropathological etiology of phFTD and suggest that phFTD may be a neurodegenerative disease on the FTD spectrum.
Ma, Xingchen; Zhang, Xiaoqing
2017-08-01
Low cost electrostatic vibration energy harvesters based on negatively-charged polypropylene cellular films with a folded structure were designed in this study. Strips of such energy harvesters were excited by applying mechanical stress in length direction. A current in a terminating resistor was generated due to the capacitance variation of the samples. For a typical double-periodic folded-structure electrostatic vibration energy harvester sample whose effective length and width were 30 mm and 10 mm, respectively, the generated power across a matching resistor at a resonance frequency of 36 Hz amounts to 641 μW for a seismic mass of 4 g and an acceleration of 1 g (g is the gravity of the Earth). Similar structures which were designed and fabricated in this study were also tested for energy harvesting and high output power in the order of a few hundred microwatt was gained. Following the presentation of a theoretical model allowing for the calculation of the power generated in a load resistance at the resonance frequency of the harvesters, experimental results are shown and compared to theoretical prediction. It turns out that the experiment results accord well with the theoretical predictions.
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Wan-You Li
2014-01-01
Full Text Available A novel hybrid method, which simultaneously possesses the efficiency of Fourier spectral method (FSM and the applicability of the finite element method (FEM, is presented for the vibration analysis of structures with elastic boundary conditions. The FSM, as one type of analytical approaches with excellent convergence and accuracy, is mainly limited to problems with relatively regular geometry. The purpose of the current study is to extend the FSM to problems with irregular geometry via the FEM and attempt to take full advantage of the FSM and the conventional FEM for structural vibration problems. The computational domain of general shape is divided into several subdomains firstly, some of which are represented by the FSM while the rest by the FEM. Then, fictitious springs are introduced for connecting these subdomains. Sufficient details are given to describe the development of such a hybrid method. Numerical examples of a one-dimensional Euler-Bernoulli beam and a two-dimensional rectangular plate show that the present method has good accuracy and efficiency. Further, one irregular-shaped plate which consists of one rectangular plate and one semi-circular plate also demonstrates the capability of the present method applied to irregular structures.
Hostutler, David A.; Li, Haiyang; Clouthier, Dennis J.; Wannous, Ghassan
2002-03-01
The optical spectrum of jet-cooled Ge2 has been observed for the first time. Laser-induced fluorescence (LIF) and wavelength resolved emission spectra were recorded using the pulsed discharge technique with a tetramethylgermane precursor. Analysis of the spectra yielded the vibrational constants ωe″=287.9(47), ωexe″=0.81(55), ωeye″=0.0037(18), ωe'=189.0(15), ωexe'=6.41(30), and Te'=20 610.8(16) cm-1. High-resolution rotationally resolved spectra of several bands of 74Ge2 show two strong P and R branches and two very weak Q branches. We have assigned the band system as a Hund's case (c) Ω'=1-Ω″=1 transition from the ground 3Σg- state to a 3Σu- excited state. The bond lengths derived from the rotational constants are r0″=2.3680(1) Å and re'=2.5244(18) Å, an ˜0.16 Å increase on electronic excitation. Arguments are presented for assigning the transition to a σg2πu2→σg2πuπg electron promotion, although the observed increase in the bond length is much less than predicted by previous ab initio calculations. The absence of the 0u+-0g+ component in the spectra has been attributed to an excited state predissociation.
Bard, Benjamin Adam
This dissertation is on an optical technique called shearography. In this full-field, interferometric procedure, laser light illuminates an object's entire surface and a single image is recorded in which the object appears doubled, or sheared. Subjected to load, the object's surface deforms slightly and a second sheared image is captured. Comparison of the two images yields a fringe pattern depicting the deformation. Fringes represent loci of constant differential displacement, the relative displacement between two points separated by the optical shearing distance. Loading responsible for deforming the object's surface can be either static or dynamic, the latter usually involving: vibratory excitation. Several techniques can be used to examine the resulting vibration, including time-averaged and stroboscopic methods. Stroboscopic illumination allows two states of the object during vibration to be 'frozen' and compared. In conjunction with phase stepping, a digital technique allowing the calculation of exact surface deformation rather than a complex fringe pattern, shearography becomes a highly sensitive, quantitative vibration measurement tool. Shearography has evolved similarly to holography, born as a film-based technique, maturing into a digital one, and incorporating options such its stroboscopic illumination and phase stepping. Unfortunately, this evolution seems to have been confined almost entirely to the optics literature. The goal of this dissertation is to introduce digital shearography to the acoustics community in order to provide a useful tool for vibration measurement. Toward this end, it presents the history, optics background, and governing equations necessary for understanding shearography in its basic, commercially available form. The unique combination of laser modulation and phase stepping is then introduced. The electro-optical system, computer control code, and phase processing algorithms are all developed and described in detail. Fundamental
DEFF Research Database (Denmark)
Nielsen, Søren R. K.
The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration...
DEFF Research Database (Denmark)
Nielsen, Søren R. K.
The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 2nd edition of this textbook on linear stochastic vibration...
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.
Brambilla, Luigi
2014-10-14
© 2014 American Chemical Society. In this work, we report a comparative analysis of the infrared and Raman spectra of octa(3-hexylthiophene) (3HT)8, trideca(3-hexylthiophene) (3HT)13, and poly(3-hexylthiophene) P3HT recorded in various phases, namely, amorphous, semicrystalline, polycrystalline and single crystal. We have based our analysis on the spectra of the (3HT)8 single crystal (whose structure has been determined by selected area electron diffraction) taken as reference and on the results of DFT calculations and molecular vibrational dynamics. New and precise spectroscopic markers of the molecular structures show the existence of three phases, namely: hairy (phase 1), ordered (phase 2), and disordered/amorphous (phase 3). Conceptually, the identified markers can be used for the molecular structure analysis of other similar systems.
Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions
Energy Technology Data Exchange (ETDEWEB)
Thompson, Michael C.; Weber, J. Mathias, E-mail: weberjm@jila.colorado.edu [JILA, University of Colorado at Boulder, 440 UCB, Boulder, Colorado 80309-0440 (United States); Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Baraban, Joshua H. [Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Matthews, Devin A. [Institute for Computational Engineering and Science, University of Texas at Austin, 201 E. 24th St., Austin, Texas 78712 (United States); Stanton, John F. [Department of Chemistry and Biochemistry, University of Texas at Austin, 1 University Station A5300, Austin, Texas 78712-0165 (United States)
2015-06-21
We report infrared spectra of nitromethane anion, CH{sub 3}NO{sub 2}{sup −}, in the region 700–2150 cm{sup −1}, obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states.
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Pincu, Madeleine [Univ. of California, Irvine, CA (United States); Gerber, Robert Benny [Univ. of California, Irvine, CA (United States). Dept. of Chemistry
2013-07-17
This work was undertaken with the main objective to investigate basic reactions that take place in relatively simple saccharides (mono-saccharides and cellobiose - the building block of cellulose) , in isolation and in cluster with few water molecules or with (gas-phase) clusters of few waters and ionic compounds (salt, isolated ions like H^{+} or OH^{-}). Within the context of this work, different potentials were investigated; among them, were the PM3 semi empirical potential, DFT/BLYP and a new hybrid potential constructed from MP2 for the harmonic part and from adjusted Hartree-Fock anharmonic interactions (VSCF-PT2). These potentials were evaluated by comparison with experimental data from published sources and from several collaborating groups. The findings show excellent agreement between experiments and predictions with the hybrid VSCF-PT2 potential and very good agreement with predictions obtained from dynamics with dispersion corrected DFT/BLYP potential. Investigation of hydration of cellobiose, was another topic of interest. Guided by a hydration motif demonstrated by our experimental collaborators (team of Prof J.P. Simons), we demonstrated large energetic and structural differences between the two species of cellobiose: cis and trans. The later, which is dominant in solid and liquid phases, is higher in energy in the gas-phase and compared to pure water, it does not disturb as much the network of H bonds. In contrast, the cis species exhibits asymmetric hydration in cluster with up to 25 waters, indicating that it has surfactant properties. Another highlight of this research effort was the successful first time spectrometric and spectroscopic study of a gas-phase protonated sugar derivative (alpha-D-Galactopyranoside) and its interpretation by Ab Initio molecular dynamics (AIMD) simulations. The findings demonstrate the formation of a motif in which a proton bridges between two Oxygen atoms (belonging to OH groups) at the sugar; The
Prabavathi, N; Nilufer, A; Krishnakumar, V
2012-12-01
The FTIR and FT-Raman spectra of Pteridine2,4-dione has been recorded in the region 4000-450 and 4000-100 cm(-1), respectively. The tautomeric stability, optimized geometry, frequency and intensity of the vibrational bands of Pteridine2,4-dione were obtained by the density functional theory (DFT) using 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. The (1)H and(13)C NMR spectra chemical shifts of the molecule were also calculated using the gauge independent atomic orbital (GIAO) method. The theoretical UV-Vis spectrum of the compound using CIS method and the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. The calculated HOMO and LUMO energies show that charge transfer occurs within molecule. The first order hyperpolarizability (β(0)) of these novel molecular system and related properties (β, α(0) and Δα) of Pteridine2,4-dione are calculated using DFT/6-311++G (d,p) method on the finite-field approach. The Mulliken charges, the values of electric dipole moment (μ) of the molecule were computed using DFT calculations. The change in electron density (ED) in the σ(*) antibonding orbitals and stabilization energies E(2) have been calculated by natural bond (NBO) analysis to give clear evidence of stabilization originating in the hyper conjugation of hydrogen-bonded interactions. Copyright © 2012 Elsevier B.V. All rights reserved.
Kishor Kumar, J; Gunasekaran, S; Loganathan, S; Anand, G; Kumaresan, S
2013-11-01
Glycine is an important amino acid for building up protein synthesis. Single crystal of glycine dimer was grown from aqueous solution by slow evaporation method. Powder X-ray diffraction analysis confirms the crystalline nature of grown crystal. It is interesting to study the molecular structure of a dimer, having well-defined channels formed through amphoterism bonding between CO⋯H bonds with split-valence basis sets, and the conformer is mirror symmetrical, in which the protonated organic cation plays a significant role to have a dimer pattern. Amphiprotic molecules, like dimeric glycine which can either donate or accept a proton (H(+)) from each other. Optical absorption study reveals that the transparency of the crystal in the entire visible region and the cutoff wavelength was found to be 235nm. Powder SHG test and thermogravimetric analysis shows glycine dimer crystal is optically active and thermally stable. The molecular structure, geometry, stability and theoretical vibrational spectra were calculated for glycine as a monomer and as a dimer linked by the amphoterism hydrogen bonding. The theoretical studies were performed using the B3LYP density functional method with the 6-311G (d,p) basis set. The detailed interpretation of the vibrational spectra has been made on the basis of normal coordinate analysis. Copyright © 2013 Elsevier B.V. All rights reserved.
Directory of Open Access Journals (Sweden)
Yifan Luo
2017-01-01
Full Text Available This paper proposes a novel inerter-based dynamic vibration absorber, namely, electromagnetic resonant shunt tuned mass-damper-inerter (ERS-TMDI. To obtain the performances of the ERS-TMDI, the combined ERS-TMDI and a single degree of freedom system are introduced. H2 criteria performances of the ERS-TMDI are introduced in comparison with the classical tuned mass-damper (TMD, the electromagnetic resonant shunt series TMDs (ERS-TMDs, and series-type double-mass TMDs with the aim to minimize structure damage and simultaneously harvest energy under random wind excitation. The closed form solutions, including the mechanical tuning ratio, the electrical damping ratio, the electrical tuning ratio, and the electromagnetic mechanical coupling coefficient, are obtained. It is shown that the ERS-TMDI is superior to the classical TMD, ERS-TMDs, and series-type double-mass TMDs systems for protection from structure damage. Meanwhile, in the time domain, a case study of Taipei 101 tower is presented to demonstrate the dual functions of vibration suppression and energy harvesting based on the simulation fluctuating wind series, which is generated by the inverse fast Fourier transform method. The effectiveness and robustness of ERS-TMDI in the frequency and time domain are illustrated.
Ucun, Fatih; Sağlam, Adnan; Güçlü, Vesile
2007-06-01
The molecular structures, vibrational frequencies and corresponding vibrational assignments of xanthine and its methyl derivatives (caffeine and theobromine) have been calculated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d, p) basis set level. The calculations were utilized to the CS symmetries of the molecules. The obtained vibrational frequencies and optimised geometric parameters (bond lengths and bond angles) were seen to be well agreement with the experimental data. The used scale factors which have been obtained the ratio of the frequency values of the strongest peaks in the calculated and experimental spectra seem to cause the gained vibrations well corresponding to the experimental ones. Theoretical infrared intensities and Raman activities are also reported.
DEFF Research Database (Denmark)
Andersen, Jonas; Heimdal, J.; Wallin Mahler Andersen, Denise
2014-01-01
Terahertz absorption spectra have been recorded for the weakly bound CO2–H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit...... have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems’ flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm−1 from the class of intermolecular van der Waals vibrations is proposed...
Zhong, Shuncong; Zhong, Jianfeng; Zhang, Qiukun; Maia, Nuno
2017-09-01
A novel quasi-optical coherence vibration tomography (Quasi-OCVT) measurement system suitable for structural damage detection is proposed by taking the concept of two-dimensional optical coherence vibration tomography (2D-OCVT) technique. An artificial quasi-interferogram fringe pattern (QIFP) similar to the interferogram of 2D-OCVT system, as a sensor, was pasted on the surface of a vibrating structure. Image sequences of QIFP were captured by a high-speed camera that worked as a detector. The period density of the imaged QIFP changed due to the structural vibration, from which the vibration information of the structure could be obtained. Noise influence on the measurement accuracy, torsional sensitivity and optical distortion effect of the Quasi-OCVT system were investigated. The efficiency and reliability of the proposed method were demonstrated by applying the system to damage detection of a cracked beam-like structure with a roving auxiliary mass. The roving of the mass along the cracked beam brings about the change of natural frequencies that could be obtained by the Quasi-OCVT technique. Therefore, frequency-shift curves can be achieved and these curves provide additional spatial information for structural damage detection. Same cases were also analyzed by the finite element method (FEM) and conventional accelerometer-based measurement method. Comparisons were carried out among these results. Results obtained by the proposed Quasi-OCVT method had a good agreement with the ones obtained by FEM, from which the damage could be directly detected. However, the results obtained by conventional accelerometer showed misleading ambiguous peaks at damage position owing to the mass effect on the structure, where the damage location cannot be identified confidently without further confirmation. The good performance of the cost-effective Quasi-OCVT method makes it attractive for vibration measurement and damage detection of beam-like structures.
DEFF Research Database (Denmark)
Stein, George Juraj; Darula, Radoslav; Sorokin, Sergey
2012-01-01
A theoretical analysis of an electromagnetic vibration controller is presented. The analyzed device consists of a pot-type iron core with a coil and a permanent magnet as a source of constant magnetic flux. The magnetic circuit is closed by a yoke, excited by an external harmonic mechanical force....... The so generated magnetic flux variation induces alternating voltage in the electric circuit, which is dissipated in a shunt resistor. The induced current driven through the coil generates magnetic force, which damps the excitation force and changes the damped natural frequency of the oscillatory system...
Adaptive active control of structural vibration by minimisation of total supplied power
DEFF Research Database (Denmark)
Henriksen, Eigil
1996-01-01
Active control of vibration by minimisation of total supplied power is an attractive approach from a theoretical point of view. In this practical study of the method two secondary sources were applied to control the sinusoidal excitation of an aluminium beam from a single primary source....... The control algorithm was able to reduce the total supplied source power in a frequency band ranging from 50 to 500 Hz. The algorithm is surprisingly insensitive to measurement errors. However, very precise estimates of the power from the individual sources are required to quantify the total supplied power....
Numerical methods for analysis of structure and ground vibration from moving loads
DEFF Research Database (Denmark)
Andersen, L.; Nielsen, S.R.K.; Krenk, Steen
2007-01-01
An overview of the main theoretical aspects of finite-element and boundary-element modelling of the response to moving loads is given. The moving loads represent sources of noise and vibration generated by moving vehicles, and the analysis describes the propagation of the disturbances generated...... in soil. A finite-element time-domain analysis in convected coordinates with a simple upwind scheme is presented, including a special set of boundary conditions permitting the passage of outgoing waves in the convected coordinate system. The modification of frequency-dependent damping to convected...
Dye and pigment-free structural colors and angle-insensitive spectrum filters
Guo, Lingjie Jay; Hollowell, Andrew E.; Wu, Yi-Kuei
2017-01-17
Optical spectrum filtering devices displaying minimal angle dependence or angle insensitivity are provided. The filter comprises a localized plasmonic nanoresonator assembly having a metal material layer defining at least one nanogroove and a dielectric material disposed adjacent to the metal material layer. The dielectric material is disposed within the nanogroove(s). The localized plasmonic nanoresonator assembly is configured to funnel and absorb a portion of an electromagnetic spectrum in the at least one nanogroove via localized plasmonic resonance to generate a filtered output having a predetermined range of wavelengths that displays angle insensitivity. Thus, flexible, high efficiency angle independent color filters having very small diffraction limits are provided that are particularly suitable for use as pixels for various display devices or for use in anti-counterfeiting and cryptography applications. The structures can also be used for colored print applications and the elements can be rendered as pigment-like particles.
Effect of magnetic field on electron spectrum in spherical nano-structures
Directory of Open Access Journals (Sweden)
V. Holovatsky
2014-03-01
Full Text Available The influence of the magnetic field on energy spectrum and wave functions of electron in spherical nano-structures such as single quantum dot and spherical layer is investigated. It is shown that the magnetic field takes off the spectrum degeneration with respect to the magnetic quantum number. Increasing magnetic field induction entails the monotonous character of electron energy for the states with m ≥ 0 and non-monotonous one for the states with m < 0. The electron wave functions of the ground and few excited states are studied considering the influence of the magnetic field. It is shown that 1s and 1p states are degenerated in the spherical layer driven by the strong magnetic field. In the limit case, the series of size-quantized levels produce the Landau levels which are typical for the bulk crystals.
Structural Covariance of Sensory Networks, the Cerebellum, and Amygdala in Autism Spectrum Disorder
Directory of Open Access Journals (Sweden)
Garrett J. Cardon
2017-11-01
Full Text Available Sensory dysfunction is a core symptom of autism spectrum disorder (ASD, and abnormalities with sensory responsivity and processing can be extremely debilitating to ASD patients and their families. However, relatively little is known about the underlying neuroanatomical and neurophysiological factors that lead to sensory abnormalities in ASD. Investigation into these aspects of ASD could lead to significant advancements in our general knowledge about ASD, as well as provide targets for treatment and inform diagnostic procedures. Thus, the current study aimed to measure the covariation of volumes of brain structures (i.e., structural magnetic resonance imaging that may be involved in abnormal sensory processing, in order to infer connectivity of these brain regions. Specifically, we quantified the structural covariation of sensory-related cerebral cortical structures, in addition to the cerebellum and amygdala by computing partial correlations between the structural volumes of these structures. These analyses were performed in participants with ASD (n = 36, as well as typically developing peers (n = 32. Results showed decreased structural covariation between sensory-related cortical structures, especially between the left and right cerebral hemispheres, in participants with ASD. In contrast, these same participants presented with increased structural covariation of structures in the right cerebral hemisphere. Additionally, sensory-related cerebral structures exhibited decreased structural covariation with functionally identified cerebellar networks. Also, the left amygdala showed significantly increased structural covariation with cerebral structures related to visual processing. Taken together, these results may suggest several patterns of altered connectivity both within and between cerebral cortices and other brain structures that may be related to sensory processing.
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
Comparative structural and vibrational study of the four lowest energy conformers of serotonin
Jha, Omkant; Yadav, T. K.; Yadav, R. A.
2017-02-01
A computational investigation of all possible lowest energy conformers of serotonin was carried out at the B3LYP/6-311 ++G** level. Out of the 14 possible lowest energy conformers, the first 4 conformers were investigated thoroughly for the optimized geometries, fundamental frequencies, the potential energy distributions, APT and natural charges, natural bond orbital (NBO) analysis, MEP, Contour map, total density array, HOMO, LUMO energies. The second third and fourth conformers are energetically at higher temperatures of 78, 94 and 312 K respectively with respect to the first one. Bond angles and bond lengths do not show significant variations while the dihedral angles vary significantly in going from one conformer to the other. Some of the vibrational modes of the indole moiety are conformation dependent to some extent whereas most of the normal modes of vibration of amino-ethyl side chain vary significantly in going from one conformer to conformer. The MEP for the four conformers suggested that the sites of the maximum positive and negative ESP change on changing the conformation. The charges at some atomic sites also change significantly from conformer to conformer.
Directory of Open Access Journals (Sweden)
Isabel Lima Hidalgo
2011-05-01
Full Text Available In the aircraft industry a great practical relevance is given to the extensive use of vibration dampers between fuselage and interior panels. The proper representation of these isolators in computer models is of vital importance for the accurate evaluation of the vibration transmission paths for interior noise prediction. In general, simplified models are not able to predict the component performance at mid and high frequencies, since they do not take into account the natural frequencies of the damper. Experimental tests are carried out to evaluate the dynamic stiffness and the identification of the material properties for a damper available in the market. Different approaches for its modeling are analyzed via FEA, resulting in distinct dynamic responses as function of frequency. The dynamic behavior, when the damper natural mode are considered jointly with the high modal density of the plate that represents the fuselage, required the averaging of results in the high frequency range. At this aim, the statistical energy analysis is then used to turn the comparison between models easier by considering the averaged energy parameters. From simulations, it is possible to conclude how the damper natural modes influence the dynamic response of aircraft interior panels for high frequencies.
Energy Technology Data Exchange (ETDEWEB)
Doebling, S.W.; Farrar, C.R.; Prime, M.B.; Shevitz, D.W.
1996-05-01
This report contains a review of the technical literature concerning the detection, location, and characterization of structural damage via techniques that examine changes in measured structural vibration response. The report first categorizes the methods according to required measured data and analysis technique. The analysis categories include changes in modal frequencies, changes in measured mode shapes (and their derivatives), and changes in measured flexibility coefficients. Methods that use property (stiffness, mass, damping) matrix updating, detection of nonlinear response, and damage detection via neural networks are also summarized. The applications of the various methods to different types of engineering problems are categorized by type of structure and are summarized. The types of structures include beams, trusses, plates, shells, bridges, offshore platforms, other large civil structures, aerospace structures, and composite structures. The report describes the development of the damage-identification methods and applications and summarizes the current state-of-the-art of the technology. The critical issues for future research in the area of damage identification are also discussed.
Jedidi, Abdesslem
2015-11-13
Vibrational fingerprints of small PtnP2n (n = 1–5) clusters were computed from their low-lying structures located from a global exploration of their DFT potential energy surfaces with the GSAM code. Five DFT methods were assessed from the CCSD(T) wavenumbers of PtP2 species and CCSD relative energies of Pt2P4 structures. The eight first PtnP2n isomers found are reported. The vibrational computations reveal (i) the absence of clear signatures made by overtone or combination bands due to very weak mechanical and electrical anharmonicities and (ii) some significant and recurrent vibrational fingerprints in correlation with the different PP bonding situations in the PtnP2n structures.
Ceacero-Vega, Antonio A; Ruiz, Tomas Peña; Gómez, Manuel Fernández; Roldán, José M Granadino; Navarro, Amparo; Fernández-Liencres, M Paz; Jayasooriya, Upali A
2007-07-19
The molecular structure of 2,6-dichlorostyrene has been analyzed at MP2 and DFT levels using different basis sets concluding in a nonplanar geometry. The influence of either the level of theory or the nature of the substituent has been assessed. The vinyl-phenyl torsion barrier has also been investigated as a function of level of theory. The ultimate factors responsible for the torsion barrier have been studied using two different partitioning schemes, i.e., the total electronic potential energy and the natural bond orbital, NBO. A topological analysis of the electron density within the atom-in-molecule, AIM, theory predicts soft intramolecular chlorine (ring)-hydrogen (vinyl) contacts when the system becomes planar. A first complete vibrational study has been performed using theoretical data and experimental vibrational frequencies from IR, Raman and, for the first time, inelastic neutron scattering, INS, spectra. The new assignment proposed is based on a scaled quantum mechanical, SQM, force field and the wavenumber linear scaling, WLS, approach.
Energy Technology Data Exchange (ETDEWEB)
Ahn, Chang Kee; Shim, Joo Sup [Shinwa Technology Information, Seoul (Korea)
2001-04-01
The objective of this study is to deduce the dynamic correlation between the fuel assembly and the reactor structure. Dynamic characteristics analyses for reactor structure related with vibration of HANARO fuel assembly have been performed For the dynamic characteristic analysis, the in-air models of the round and hexagonal flow tubes, 18-element and 36-element fuel assemblies, and reactor structure were developed. By calculating the hydrodynamic mass and distributing it on the in-air models, the in-water models of the flow tubes, the fuel assemblies, and the reactor structure were developed. Then, modal analyses for developed in-air and in-water models have been performed. Especially, two 18-element fuel assemblies and three 36-element fuel assemblies were included in the in-water reactor models. For the verification of the modal analysis results, the natural frequencies and the mode shapes of the fuel assembly were compared with those obtained from the experiment. Finally the analysis results of the reactor structure were compared with them performed by AECL Based on the reactor model without PCS piping, the in-water reactor model including the fuel assemblies was developed, and its modal analysis was performed. The analysis results demonstrate that there are no resonance between the fuel assembly and the reactor structures. 26 refs., 419 figs., 85 tabs. (Author)
Cole, Milton W; Crespi, Vincent H; Dresselhaus, Mildred S; Dresselhaus, Gene; Fischer, John E; Gutierrez, Humberto R; Kojima, K; Mahan, Gerald D; Rao, Apparao M; Sofo, Jorge O; Tachibana, M; Wako, K; Xiong, Qihua
2010-08-25
This review addresses the field of nanoscience as viewed through the lens of the scientific career of Peter Eklund, thus with a special focus on nanocarbons and nanowires. Peter brought to his research an intense focus, imagination, tenacity, breadth and ingenuity rarely seen in modern science. His goal was to capture the essential physics of natural phenomena. This attitude also guides our writing: we focus on basic principles, without sacrificing accuracy, while hoping to convey an enthusiasm for the science commensurate with Peter's. The term 'colloquial review' is intended to capture this style of presentation. The diverse phenomena of condensed matter physics involve electrons, phonons and the structures within which excitations reside. The 'nano' regime presents particularly interesting and challenging science. Finite size effects play a key role, exemplified by the discrete electronic and phonon spectra of C(60) and other fullerenes. The beauty of such molecules (as well as nanotubes and graphene) is reflected by the theoretical principles that govern their behavior. As to the challenge, 'nano' requires special care in materials preparation and treatment, since the surface-to-volume ratio is so high; they also often present difficulties of acquiring an experimental signal, since the samples can be quite small. All of the atoms participate in the various phenomena, without any genuinely 'bulk' properties. Peter was a master of overcoming such challenges. The primary activity of Eklund's research was to measure and understand the vibrations of atoms in carbon materials. Raman spectroscopy was very dear to Peter. He published several papers on the theory of phonons (Eklund et al 1995a Carbon 33 959-72, Eklund et al 1995b Thin Solid Films 257 211-32, Eklund et al 1992 J. Phys. Chem. Solids 53 1391-413, Dresselhaus and Eklund 2000 Adv. Phys. 49 705-814) and many more papers on measuring phonons (Pimenta et al 1998b Phys. Rev. B 58 16016-9, Rao et al 1997a Nature
Cole, Milton W.; Crespi, Vincent H.; Dresselhaus, Mildred S.; Dresselhaus, Gene; Fischer, John E.; Gutierrez, Humberto R.; Kojima, K.; Mahan, Gerald D.; Rao, Apparao M.; Sofo, Jorge O.; Tachibana, M.; Wako, K.; Xiong, Qihua
2010-08-01
This review addresses the field of nanoscience as viewed through the lens of the scientific career of Peter Eklund, thus with a special focus on nanocarbons and nanowires. Peter brought to his research an intense focus, imagination, tenacity, breadth and ingenuity rarely seen in modern science. His goal was to capture the essential physics of natural phenomena. This attitude also guides our writing: we focus on basic principles, without sacrificing accuracy, while hoping to convey an enthusiasm for the science commensurate with Peter's. The term 'colloquial review' is intended to capture this style of presentation. The diverse phenomena of condensed matter physics involve electrons, phonons and the structures within which excitations reside. The 'nano' regime presents particularly interesting and challenging science. Finite size effects play a key role, exemplified by the discrete electronic and phonon spectra of C60 and other fullerenes. The beauty of such molecules (as well as nanotubes and graphene) is reflected by the theoretical principles that govern their behavior. As to the challenge, 'nano' requires special care in materials preparation and treatment, since the surface-to-volume ratio is so high; they also often present difficulties of acquiring an experimental signal, since the samples can be quite small. All of the atoms participate in the various phenomena, without any genuinely 'bulk' properties. Peter was a master of overcoming such challenges. The primary activity of Eklund's research was to measure and understand the vibrations of atoms in carbon materials. Raman spectroscopy was very dear to Peter. He published several papers on the theory of phonons (Eklund et al 1995a Carbon 33 959-72, Eklund et al 1995b Thin Solid Films 257 211-32, Eklund et al 1992 J. Phys. Chem. Solids 53 1391-413, Dresselhaus and Eklund 2000 Adv. Phys. 49 705-814) and many more papers on measuring phonons (Pimenta et al 1998b Phys. Rev. B 58 16016-9, Rao et al 1997a Nature
Lang, Fabian U; Stierlin, Annabel S; Stegmayer, Katharina; Walther, Sebastian; Becker, Thomas; Jäger, Markus
2015-10-01
The Bern Psychopathology Scale (BPS) is based on a system-specific approach to classifying the psychopathological symptom pattern of schizophrenia. It consists of subscales for three domains (language, affect and motor behaviour) that are hypothesized to be related to specific brain circuits. The aim of the study was to examine the factor structure of the BPS in patients with schizophrenia spectrum disorders. One hundred and forty-nine inpatients with schizophrenia spectrum disorders were recruited at the Department of Psychiatry II, Ulm University, Germany (n=100) and at the University Hospital of Psychiatry, Bern, Switzerland (n=49). Psychopathology was assessed with the BPS. The VARCLUS procedure of SAS(®) (a type of oblique component analysis) was used for statistical analysis. Six clusters were identified (inhibited language, inhibited motor behaviour, inhibited affect, disinhibited affect, disinhibited language/motor behaviour, inhibited language/motor behaviour) which explained 40.13% of the total variance of the data. A binary division of attributes into an inhibited and disinhibited cluster was appropriate, although an overlap was found between the language and motor behaviour domains. There was a clear distinction between qualitative and quantitative symptoms. The results argue for the validity of the BPS in identifying subsyndromes of schizophrenia spectrum disorders according to a dimensional approach. Future research should address the longitudinal assessment of dimensional psychopathological symptoms and elucidate the underlying neurobiological processes. Copyright © 2015 Elsevier Masson SAS. All rights reserved.
Testing SgrA$^*$ with the spectrum of its accretion structure
Lin, Nan; Arthur, Jake; Asquith, Rachel; Bambi, Cosimo
2015-01-01
SgrA$^*$ is the supermassive black hole candidate at the center of the Galaxy and an ideal laboratory to test general relativity. Following previous work by other authors, we use the Polish doughnut model to describe an optically thin and constant angular momentum ion torus in hydrodynamical equilibrium and model the accretion structure around SgrA$^*$. The radiation mechanisms are bremsstrahlung, synchrotron emission, and inverse Compton scattering. We compute the spectrum as seen by a distant observer in Kerr and non-Kerr spacetimes and we study how an accurate measurement can constrain possible deviations form the Kerr solution. When the parameters of the ion torus are fixed, the spectrum is not affected by the strong degeneracy between the spin and the deformation parameter. This is in contrast with other approaches based on the study of thin disks and it may suggest that, if properly understood and in presence of good data, the spectrum of the accretion flow of SgrA$^*$ may be a powerful tool to test the...