Search results for: vibrational frequencies
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 918

Search results for: vibrational frequencies

918 Vibrational Behavior of Cylindrical Shells in Axial Magnetic Field

Authors: Sedrak Vardanyan

Abstract:

The investigation of the vibrational character of magnetic cylindrical shells placed in an axial magnetic field has important practical applications. In this work, we study the vibrational behaviour of such a cylindrical shell by making use of the so-called exact space treatment, which does not assume any hypothesis. We discuss the effects of several practically important boundary conditions on the vibrations of the described setup. We find that, for some cases of boundary conditions, e.g. clamped, simply supported or peripherally earthed, as well as for some values of the wave numbers, the vibrational frequencies of the shell are approximately zero. The theoretical and numerical exploration of this fact confirms that the vibrations are absent or attenuate very rapidly. For all the considered cases, the imaginary part of the frequencies is negative, which implies stability for the vibrational process.

Keywords: bending vibrational frequencies, exact space treatment, free vibrations, magnetic cylindrical shells

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917 Theoretical Studies on the Formation Constant, Geometry, Vibrational Frequencies and Electronic Properties Dinuclear Molybdenum Complexes

Authors: Mahboobeh Mohadeszadeh, Behzad Padidaran Moghaddam

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In order to measuring dinuclear molybdenum complexes formation constant First,the reactants and the products were optimized separately and then, their frequencies were measured. In next level , with using Hartree-fock (HF) and density functional theory (DFT) methods ,Theoretical studies on the geometrical parameters, electronic properties and vibrational frequencies of dinuclear molybdenum complexes [C40H44Mo2N2O20] were investigated . These calculations were performed with the B3LYP, BPV86, B3PW91 and HF theoretical method using the LANL2DZ (for Mo’s) + 6-311G (for others) basis sets. To estimate the error rate between theoretical data and experimental data, RSquare , SError and RMS values that according with the theoretical and experimental parameters found out DFT methods has more integration with experimental data compare to HF methods. In addition, through electron specification of compounds, the percentage of atomic orbital’s attendance in making molecular orbital’s, atoms electrical charge, the sustainable energy resulting and also HOMO and LUMO orbital’s energy achieved.

Keywords: geometrical parameters, hydrogen bonding, electronic properties, vibrational frequencies

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916 Three-Dimensional Vibration Characteristics of Piezoelectric Semi-Spherical Shell

Authors: Yu-Hsi Huang, Ying-Der Tsai

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Piezoelectric circular plates can provide out-of-plane vibrational displacements on low frequency and in-plane vibrational displacements on high frequency. Piezoelectric semi-spherical shell, which is double-curvature structure, can induce three-dimensional vibrational displacements over a large frequency range. In this study, three-dimensional vibrational characteristics of piezoelectric semi-spherical shells with free boundary conditions are investigated using three experimental methods and finite element numerical modeling. For the experimental measurements, amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI) is used to obtain resonant frequencies and radial and azimuthal mode shapes. This optical technique utilizes a full-field and non-contact optical system that measures both the natural frequency and corresponding vibration mode shape simultaneously in real time. The second experimental technique used, laser displacement meter is a point-wise displacement measurement method that determines the resonant frequencies of the piezoelectric shell. An impedance analyzer is used to determine the in-plane resonant frequencies of the piezoelectric semi-spherical shell. The experimental results of the resonant frequencies and mode shapes for the piezoelectric shell are verified with the result from finite element analysis. Excellent agreement between the experimental measurements and numerical calculation is presented on the three-dimensional vibrational characteristics of the piezoelectric semi-spherical shell.

Keywords: piezoelectric semi-spherical shell, mode shape, resonant frequency, electronic speckle pattern interferometry, radial vibration, azimuthal vibration

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915 Application of the Extended Kantorovich Method to Size-Dependent Vibrational Analysis of Fully Clamped Rectangular Micro-Plates

Authors: Amir R. Askari, Masoud Tahani

Abstract:

The objective of the present paper is to investigate the effect of size on the vibrational behavior of fully clamped rectangular micro-plates based on the modified couple stress theory (MCST). To this end, a size-dependent Kirchhoff plate model is considered and the equation of motion which accounts for the effect of residual and couple stress components is derived using the Hamilton's principle. The eigenvalue problem associated with the free vibrations of fully clamped micro-plates is extracted and solved analytically using the extended Kantorovich method (EKM). The present findings are compared and validated by available results in the literature and an excellent agreement between them is observed. A parametric study is also conducted to show the significant effects of couple stress components on natural frequencies of fully clamped micro-plates. It is found that the ratio of MCST natural frequencies to those obtained by the classical theory (CT) only depends on the Poisson's ratio of the plate and is totally independent of plate's aspect ratio for cases with no residual stresses.

Keywords: vibrational analysis, modified couple stress theory, fully clamped rectangular micro-plates, extended Kantorovich method.

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914 Halogenated Methoxy- and Methyl-benzoic Acids: Joint Experimental and DFT Study For Molecular Structure, Vibrational Analysis, and Other Molecular Properties

Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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913 Normal Coordinate Analysis, Molecular Structure, Vibrational, Electronic Spectra, and NMR Investigation of 4-Amino-3-Phenyl-1H-1,2,4-Triazole-5(4H)-Thione by Ab Initio HF and DFT Method

Authors: Khaled Bahgat

Abstract:

In the present work, the characterization of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (APTT) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000–400 cm_1) and FT-Raman (4000–100 cm_1) spectra of APTT were recorded in solid phase. The UV–Vis absorption spectrum of the APTT was recorded in the range of 200–400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of APTT in the ground state have been calculated by HF and DFT methods using 6-311++G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO) and natural localized molecular orbital (NLMO) analysis. The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time depended DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge-including atomic orbital (GIAO) method and compared with experimental results. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra.

Keywords: 4-amino-3-phenyl-1H-1, 2, 4-triazole-5(4H)-thione, vibrational assignments, normal coordinate analysis, quantum mechanical calculations

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912 Vibration Frequencies Analysis of Nanoporous Graphene Membrane

Authors: Haw-Long Lee, Win-Jin Chang, Yu-Ching Yang

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In this study, we use the atomic-scale finite element method to investigate the vibrational behavior of the armchair- and zigzag-structured nanoporous graphene layers with different size under the SFSF and CFFF boundary conditions. The fundamental frequencies computed for the graphene layers without pore are compared with the results of previous studies. We observe very good correspondence of our results with that of the other studies in all the considered cases. For the armchair- and zigzag-structured nanoporous graphene layers under the SFSF and CFFF boundary conditions, the frequencies decrease as the size of the nanopore increase. When the positions of the pore are symmetric with respect to the center of the graphene, the frequency of the zigzag pore graphene is higher than that of the armchair one.

Keywords: atomic-scale finite element method, graphene, nanoporous, natural frequency

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911 Temperature Measurements of Corona Discharge in the SF6-N2 Gas Mixture

Authors: A. Lemzadmi

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Rotational and vibrational temperatures of the SF6-N2 gas mixture are spectroscopically measured over a pressure range of 2-14 bars. The spectra obtained of the light emission of the corona discharge were recorded with different values of pressure, voltage and current together with the variation of the position of the tip electrode. The emission of N2 is very dominant for different gas concentration and the second positive system 2S+ is the most important. The convolution method is used for the determination of the temperature. The Rotational temperature measurements of the plasma reveal gas temperatures in the range of 450-650°K and vibrational temperatures in the range of 1800-2200°K.

Keywords: rotational temperatures, corona discharges, SF6-N2 gas mixture, vibrational temperatures

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910 Laser Cooling of Internal Degrees of Freedom of Molecules: Cesium Case

Authors: R. Horchani

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Optical pumping technique with laser fields combined with photo-association of ultra-cold atoms leads to control on demand the vibrational and/or the rotational population of molecules. Here, we review the basic concepts and main steps should be followed, including the excitation schemes and detection techniques we use to achieve the ro-vibrational cooling of Cs2 molecules. We also discuss the extension of this technique to other molecules. In addition, we present a theoretical model used to support the experiment. These simulations can be widely used for the preparation of various experiments since they allow the optimization of several important experimental parameters.

Keywords: cold molecule, photo-association, optical pumping, vibrational and rotational cooling

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909 Temperature Calculation for an Atmospheric Pressure Plasma Jet by Optical Emission Spectroscopy

Authors: H. Lee, Jr., L. Bo-ot, R. Tumlos, H. Ramos

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The objective of the study is to be able to calculate excitation and vibrational temperatures of a 2.45 GHz microwave-induced atmospheric pressure plasma jet. The plasma jet utilizes Argon gas as a primary working gas, while Nitrogen is utilized as a shroud gas for protecting the quartz tube from the plasma discharge. Through Optical Emission Spectroscopy (OES), various emission spectra were acquired from the plasma discharge. Selected lines from Ar I and N2 I emissions were used for the Boltzmann plot technique. The Boltzmann plots yielded values for the excitation and vibrational temperatures. The various values for the temperatures were plotted against varying parameters such as the gas flow rates.

Keywords: plasma jet, OES, Boltzmann plots, vibrational temperatures

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908 Ab Initio Spectroscopic Study of the Electronic Properties of the (Bana)+ Molecular Ion

Authors: Tahani H. Alluhaybi, Leila Mejrissi

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In the present theoretical study, we investigated adiabatically the electronic structure of the (BaNa)+ by the use of the ab initio calculation. We optimized a large atomic GTO basis set for Na and Ba atoms. The (BaNa)+ molecular ion is considered a two-electron thank to a non-empirical pseudo-potentials approach applied to Ba and Na cores with the Core Polarization Potentials operator (CPP). Then, we performed the Full Configuration Interaction (FCI) method. Accordingly, we calculated the adiabatic Potential Energy Curves (PECs) and their spectroscopic constants (well depth De, transition energies Te, the equilibrium distances Re, vibrational constant ⍵e, and anharmonic constant ⍵exe) for 10 electronic states in Σ+ symmetry. Then we determined the vibrational level energies and their spacing, and the electric Permanent Dipole Moments (PDM).

Keywords: Ab initio, dipole moment, non-empirical pseudo-potential, potential energy curves, spectroscopic constants, vibrational energy

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907 The Effects of the Uniaxial Anisotropy and the Loss Tangent on the Resonant Frequencies in Stacked Rectangular Patches Configuration

Authors: Boualem Mekimah, Abderraouf Messai, Abdelkrim Belhedri

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Dielectric substrates have an important attention in the fabrication of microstrip patch antennas. The effects of the uniaxial anisotropy and the loss tangent on resonant frequencies of microstrip patches consist of two perfectly conducting rectangular patches in stacked and offset configuration, embedded in a bilayer medium containing isotropic or uniaxial anisotropic materials. The Green’s functions are discussed in detail and numerical results are validated by comparing the computed results with previously published data. The numerical results show, that the uniaxial anisotropy has more effects on resonant frequencies according to the optical axis. However, the loss tangent of dielectric substrates has almost no effect on resonant frequencies, but it strongly affects the imaginary parts of the resonant frequencies of the antenna. The dielectric constant has no effect on the separation in terms of frequencies.

Keywords: resonant frequencies, loss tangent, microstrip patches, stacked, anisotropic materials, optical axis

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906 Ergonomical Study of Hand-Arm Vibrational Exposure in a Gear Manufacturing Plant in India

Authors: Santosh Kumar, M. Muralidhar

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The term ‘ergonomics’ is derived from two Greek words: ‘ergon’, meaning work and ‘nomoi’, meaning natural laws. Ergonomics is the study of how working conditions, machines and equipment can be arranged in order that people can work with them more efficiently. In this research communication an attempt has been made to study the effect of hand-arm vibrational exposure on the workers of a gear manufacturing plant by comparison of potential Carpal Tunnel Syndrome (CTS) symptoms and effect of different exposure levels of vibration on occurrence of CTS in actual industrial environment. Chi square test and correlation analysis have been considered for statistical analysis. From Chi square test, it has been found that the potential CTS symptoms occurrence is significantly dependent on the level of vibrational exposure. Data analysis indicates that 40.51% workers having potential CTS symptoms are exposed to vibration. Correlation analysis reveals that potential CTS symptoms are significantly correlated with exposure to level of vibration from handheld tools and to repetitive wrist movements.

Keywords: CTS symptoms, hand-arm vibration, ergonomics, physical tests

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905 Structural, Elastic, Vibrational and Thermal Properties of Perovskites AHfO3 (a=Ba,Sr,Eu)

Authors: H. Krarcha

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The structural, elastic, vibrational and thermal properties of AHfO3 compounds with the cubic perovskites structure have been investigated, by employing a first principles method, using the plane wave pseudo potential calculations (PP-PW), based on the density functional theory (DFT), within the local density approximation (LDA). The optimized lattice parameters, independent elastic constants (C11, C12 and C44), bulk modulus (B), compressibility (b), shear modulus (G), Young’s modulus (Y ), Poisson’s ratio (n), Lame´’s coefficients (m, l), as well as band structure, density of states and electron density distributions are obtained and analyzed in comparison with the available theoretical and experimental data. For the first time the numerical estimates of elastic parameters of the polycrystalline AHfO3 ceramics (in framework of the VoigteReusseHill approximation) are performed. The quasi-harmonic Debye model, by means of total energy versus volume calculations obtained with the FP-LAPW method, is applied to study the thermal and vibrational effects. Predicted temperature and pressure effects on the structural parameters, thermal expansions, heat capacities, and Debye temperatures are determined from the non-equilibrium Gibbs functions.

Keywords: Hafnium, elastic propreties, first principles calculation, perovskite

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904 Reconfigurable Multiband Meandered Line Antenna

Authors: D. Rama Krishna, Y. Pandu Rangaiah

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This paper presents the design of multiband reconfigurable antenna using PIN diodes for four iterations and all the four iterations have been validated by measuring return loss and pattern measurements of developed prototype antenna. The simulated and experimental data have demonstrated the concepts of a multiband reconfigurable antenna by switching OFF and ON of PIN diodes for multiple band frequencies. The technique has taken the advantage of a different number of radiating lengths with the use of PIN diode switches, each configuration resonating at multiband frequencies.

Keywords: frequency reconfigurable, meandered line multiband antenna, PIN diode, multiband frequencies

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903 Mechanical Properties, Vibrational Response and Flow-Field Analysis of Staghorn Coral Skeleton, Acropora cervicornis

Authors: Alejandro Carrasco-Pena, Mahmoud Omer, Nina Orlovskaya

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The results of studies of microstructure, mechanical behavior, vibrational response, and flow field analysis of critically endangered staghorn coral (Acropora cervicornis) skeletons are reported. The CaCO₃ aragonite structure of a chemically-cleaned coral skeleton of A. cervicornis was studied by optical microscopy and computer tomography. The mechanical behavior was studied using uniaxial compression and Vickers hardness technique. The average maximum stress measured during skeleton uniaxial compression was 10.7 ± 2.24 MPa and Vickers hardness was 3.56 ± 0.31 GPa. The vibrational response of the aragonite structure was studied by micro-Raman spectroscopy, which showed a substantial dependence of the structure on applied compressive stress. The flow-field around a single coral skeleton forming vortices in the wake of the moving skeleton was measured using Particle Image Velocimetry (PIV). The results are important for further analysis of time-dependent mechanical fatigue behavior and predicting the lifetime of staghorn corals.

Keywords: failure, mechanical properties, microstructure, Raman spectroscopy

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902 Analyzing Habits of Brushing Teeth in Yuzawa Town, Japan

Authors: Takeo Shibata, Arihito Endo, Akemi Kunimatsu, Chika Hiraga, Yoko Shimizu

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Introduction: Yuzawa Town, located in the Niigata prefecture of Japan, is famous for its hot springs. A health promotion program, Yuzawa family health plan, was initiated in 2002. It has been held for fifteen years. We evaluated the profiles of brushing teeth in adults. Subjects: 368 questionnaires were corrected from people who live in Yuzawa town. The range of age was between nineteen and sixty-four years old. Methods: Mann-Whitney’s U test and Kruskal-Wallis test were used to evaluate significant differences in frequencies of brushing teeth per a day. Chi-square test and the adjusted residuals were used to evaluate when they brush their teeth. Results: Women showed greater frequencies of brushing teeth per a day than men. No difference was shown by age. Construction workers showed fewer frequencies of brushing teeth. Specialized technicians, clerical workers, and housewives showed greater frequencies. People who know Yuzawa family health plan, take a regular life, or take a breakfast every day showed greater frequencies. People who think not healthy, don’t care a balance of foods, don’t take yearly health check-up, or smoke showed fewer frequencies. After breakfast, women and specialized technicians showed greater frequencies, and construction workers and self-employed workers showed fewer frequencies. After lunch, clerical workers and specialized technicians showed greater frequencies. There was no significant difference at after waking up, after dinner, and before going to bed. Construction workers showed a lower rate of having a marital partner and having information of health. Conclusion: Gender and occupational differences were shown in frequencies of brushing teeth per a day. A promotion of teeth brushing for male, especially construction workers and self-employed workers, is needed.

Keywords: health promotion, Yuzawa family health plan, brushing teeth, occupational difference

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901 Dimensionality Reduction in Modal Analysis for Structural Health Monitoring

Authors: Elia Favarelli, Enrico Testi, Andrea Giorgetti

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Autonomous structural health monitoring (SHM) of many structures and bridges became a topic of paramount importance for maintenance purposes and safety reasons. This paper proposes a set of machine learning (ML) tools to perform automatic feature selection and detection of anomalies in a bridge from vibrational data and compare different feature extraction schemes to increase the accuracy and reduce the amount of data collected. As a case study, the Z-24 bridge is considered because of the extensive database of accelerometric data in both standard and damaged conditions. The proposed framework starts from the first four fundamental frequencies extracted through operational modal analysis (OMA) and clustering, followed by density-based time-domain filtering (tracking). The fundamental frequencies extracted are then fed to a dimensionality reduction block implemented through two different approaches: feature selection (intelligent multiplexer) that tries to estimate the most reliable frequencies based on the evaluation of some statistical features (i.e., mean value, variance, kurtosis), and feature extraction (auto-associative neural network (ANN)) that combine the fundamental frequencies to extract new damage sensitive features in a low dimensional feature space. Finally, one class classifier (OCC) algorithms perform anomaly detection, trained with standard condition points, and tested with normal and anomaly ones. In particular, a new anomaly detector strategy is proposed, namely one class classifier neural network two (OCCNN2), which exploit the classification capability of standard classifiers in an anomaly detection problem, finding the standard class (the boundary of the features space in normal operating conditions) through a two-step approach: coarse and fine boundary estimation. The coarse estimation uses classics OCC techniques, while the fine estimation is performed through a feedforward neural network (NN) trained that exploits the boundaries estimated in the coarse step. The detection algorithms vare then compared with known methods based on principal component analysis (PCA), kernel principal component analysis (KPCA), and auto-associative neural network (ANN). In many cases, the proposed solution increases the performance with respect to the standard OCC algorithms in terms of F1 score and accuracy. In particular, by evaluating the correct features, the anomaly can be detected with accuracy and an F1 score greater than 96% with the proposed method.

Keywords: anomaly detection, frequencies selection, modal analysis, neural network, sensor network, structural health monitoring, vibration measurement

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900 Dielectric Thickness Modulation Based Optically Transparent Leaky Wave Antenna Design

Authors: Waqar Ali Khan

Abstract:

A leaky-wave antenna design is proposed which is based on the realization of a certain kind of surface impedance profile that allows the existence of a perturbed surface wave (fast wave) that radiates. The antenna is realized by using optically transparent material Plexiglas. Plexiglas behaves as a dielectric at radio frequencies and is transparent at optical frequencies. In order to have a ground plane for the microwave frequencies, metal strips are used parallel to the E field of the operating mode. The microwave wavelength chosen is large enough such that it does not resolve the metal strip ground plane and sees it to be a uniform ground plane. While, at optical frequencies, the metal strips do have some shadowing effect. However still, about 62% of optical power can be transmitted through the antenna.

Keywords: Plexiglass, surface-wave, optically transparent, metal strip

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899 Spread Spectrum with Notch Frequency Using Pulse Coding Method for Switching Converter of Communication Equipment

Authors: Yasunori Kobori, Futoshi Fukaya, Takuya Arafune, Nobukazu Tsukiji, Nobukazu Takai, Haruo Kobayashi

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This paper proposes an EMI spread spectrum technique to enable to set notch frequencies using pulse coding method for DC-DC switching converters of communication equipment. The notches in the spectrum of the switching pulses appear at the frequencies obtained from empirically derived equations with the proposed spread spectrum technique using the pulse coding methods, the PWM (Pulse Width Modulation) coding or the PCM (Pulse Cycle Modulation) coding. This technique would be useful for the switching converters in the communication equipment which receives standard radio waves, without being affected by noise from the switching converters. In our proposed technique, the notch frequencies in the spectrum depend on the pulse coding method. We have investigated this technique to apply to the switching converters and found that there is good relationship agreement between the notch frequencies and the empirical equations. The notch frequencies with the PWM coding is equal to the equation F=k/(WL-WS). With the PCM coding, that is equal to the equation F=k/(TL-TS).

Keywords: notch frequency, pulse coding, spread spectrum, switching converter

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898 Predicting the Frequencies of Tropical Cyclone-Induced Rainfall Events in the US Using a Machine-Learning Model

Authors: Elham Sharifineyestani, Mohammad Farshchin

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Tropical cyclones are one of the most expensive and deadliest natural disasters. They cause heavy rainfall and serious flash flooding that result in billions of dollars of damage and considerable mortality each year in the United States. Prediction of the frequency of tropical cyclone-induced rainfall events can be helpful in emergency planning and flood risk management. In this study, we have developed a machine-learning model to predict the exceedance frequencies of tropical cyclone-induced rainfall events in the United States. Model results show a satisfactory agreement with available observations. To examine the effectiveness of our approach, we also have compared the result of our predictions with the exceedance frequencies predicted using a physics-based rainfall model by Feldmann.

Keywords: flash flooding, tropical cyclones, frequencies, machine learning, risk management

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897 First-Principles Density Functional Study of Nitrogen-Doped P-Type ZnO

Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi

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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.

Keywords: DFF, nitrogen, p-type, ZnO

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896 Empirical Prediction of the Effect of Rain Drops on Dbs System Operating in Ku-Band (Case Study of Abuja)

Authors: Tonga Agadi Danladi, Ajao Wasiu Bamidele, Terdue Dyeko

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Recent advancement in microwave communications technologies especially in telecommunications and broadcasting have resulted in congestion on the frequencies below 10GHz. This has forced microwave designers to look for high frequencies. Unfortunately for frequencies greater than 10GHz rain becomes one of the main factors of attenuation in signal strength. At frequencies from 10GHz upwards, rain drop sizes leads to outages that compromises the availability and quality of service this making it a critical factor in satellite link budget design. Rain rate and rain attenuation predictions are vital steps to be considered when designing microwave satellite communication link operating at Ku-band frequencies (112-18GHz). Unreliable rain rates data in the tropical regions of the world like Nigeria from radio communication group of the international Telecommunication Union (ITU-R) makes it difficult for microwave engineers to determine a realistic rain margin that needs to be accommodated in satellite link budget design in such region. This work presents an empirical tool for predicting the amount of signal due to rain on DBS signal operating at the Ku-band.

Keywords: attenuation, Ku-Band, microwave communication, rain rates

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895 Effects of Surface Roughness on a Unimorph Piezoelectric Micro-Electro-Mechanical Systems Vibrational Energy Harvester Using Finite Element Method Modeling

Authors: Jean Marriz M. Manzano, Marc D. Rosales, Magdaleno R. Vasquez Jr., Maria Theresa G. De Leon

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This paper discusses the effects of surface roughness on a cantilever beam vibrational energy harvester. A silicon sample was fabricated using MEMS fabrication processes. When etching silicon using deep reactive ion etching (DRIE) at large etch depths, rougher surfaces are observed as a result of increased response in process pressure, amount of coil power and increased helium backside cooling readings. To account for the effects of surface roughness on the characteristics of the cantilever beam, finite element method (FEM) modeling was performed using actual roughness data from fabricated samples. It was found that when etching about 550um of silicon, root mean square roughness parameter, Sq, varies by 1 to 3 um (at 100um thick) across a 6-inch wafer. Given this Sq variation, FEM simulations predict an 8 to148 Hz shift in the resonant frequency while having no significant effect on the output power. The significant shift in the resonant frequency implies that careful consideration of surface roughness from fabrication processes must be done when designing energy harvesters.

Keywords: deep reactive ion etching, finite element method, microelectromechanical systems, multiphysics analysis, surface roughness, vibrational energy harvester

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894 Trunk and Gluteus-Medius Muscles’ Fatigability during Occupational Standing in Clinical Instructors with Low Back Pain

Authors: Eman A. Embaby, Amira A. A. Abdallah

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Background: Occupational standing is associated with low back pain (LBP) development. Yet, trunk and gluteus-medius muscles’ fatigability has not been extensively studied during occupational standing. This study examined and correlated the rectus abdominus (RA), erector-spinae (ES), external oblique (EO), and gluteus-medius (GM) muscles’ fatigability on both sides while standing in a confined area for 30 min Methods: Median frequency EMG data were collected from 15 female clinical instructors with chronic LBP (group A) and 15 asymptomatic controls (group B) (mean age 29.53±2.4 vs. 29.07±2.4 years, weight 63.6±7 vs. 60±7.8 kg, and height 162.73±4 vs. 162.8±6 cm respectively) using a spectrum analysis program. Data were collected in the first and last 5min of the standing task. Results: Using Mixed three-way ANOVA, group A showed significantly (p<0.05) lower frequencies for the right and left ES, and right GM in the last 5 min and significantly higher frequencies for the left RA in the first and last 5min than group B. In addition, the left ES and right EO, ES and GM in group B showed significantly higher frequencies and the left ES in group A showed significantly lower frequencies in the last 5min compared with the first. Moreover, the right RA showed significantly higher frequencies than the left in the last 5min in group B. Finally, there were significant (p<0.05) correlations among the median frequencies of the tested four muscles on the same side and between both sides in both groups. Discussion/Conclusions: Clinical instructors with LBP are more liable to have higher trunk and gluteus-medius muscle fatigue than asymptomatic individuals. Thus, endurance training for these muscles should be included in the rehabilitation of such patients.

Keywords: EMG, fatigability, gluteus-medius, LBP, standing, trunk

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893 Effect of Helium and Sulfur Hexafluoride Gas Inhalation on Voice Resonances

Authors: Pallavi Marathe

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Voice is considered to be a unique biometric property of human beings. Unlike other biometric evidence, for example, fingerprints and retina scans, etc., voice can be easily changed or mimicked. The present paper talks about how the inhalation of helium and sulfur hexafluoride (SF6) gas affects the voice formant frequencies that are the resonant frequencies of the vocal tract. Helium gas is low-density gas; hence, the voice travels with a higher speed than that of air. On the other side in SF6 gas voice travels with lower speed than that of air due to its higher density. These results in decreasing the resonant frequencies of voice in helium and increasing in SF6. Results are presented with the help of Praat software, which is used for voice analysis.

Keywords: voice formants, helium, sulfur hexafluoride, gas inhalation

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892 Approaches to Vibration Analysis of Thick Plates Subjected to Different Supports, Loadings and Boundary Conditions: A Literature Review

Authors: Fazl E. Ahad, Shi Dongyan, Anees Ur Rehman

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Plates are one of the most important structural components used in many industries like aerospace, marine and various other engineering fields and thus motivate designers and engineers to study the vibrational characteristics of these structures. This paper is a review of existing literature on vibration analysis of plates. Focus has been kept on prominent studies related to isotropic plates based on Mindlin plate theory; however few citations on orthotropic plates and higher order shear deformation theories have also been included. All citations are in English language. This review is aimed to provide contemporarily relevant survey of papers on vibrational characteristics of thick plates and will be useful for scientists, designers and researchers to locate important and relevant literature/research quickly.

Keywords: mindlin plates, vibrations, arbitrary boundary conditions, mode shapes, natural frequency

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891 The Inversion of Helical Twist Sense in Liquid Crystal by Spectroscopy Methods

Authors: Anna Drzewicz, Marzena Tykarska

Abstract:

The chiral liquid crystal phases form the helicoidal structure, which is characterized by the helical pitch and the helical twist sense. In anticlinic smectic phase with antiferroelectric properties three types of helix temperature dependence have been obtained: increased helical pitch with temperature and right-handed helix, decreased helical pitch with temperature and left-handed helix and the inversion of both. The change of helical twist sense may be observed during the transition from one liquid crystal phase to another or within one phase for the same substance. According to Gray and McDonnell theory, the helical handedness depends on the absolute configuration of the assymetric carbon atom and its position related to the rigid core of the molecule. However, this theory does not explain the inversion of helical twist sense phenomenon. It is supposed, that it may be caused by the presence of different conformers with opposite handendess, which concentration may change with temperature. In this work, the inversion of helical twist sense in the chiral liquid crystals differing in the length of alkyl chain, in the substitution the benzene ring by fluorine atoms and in the type of helix handedness was tested by vibrational spectroscopy (infrared and raman spectroscopy) and by nuclear magnetic resonance spectroscopy. The results obtained from the vibrational spectroscopy confirm the presence of different conformers. Moreover, the analysis of nuclear magnetic resonance spectra is very useful to check, on which structural fragments the change of conformations are important for the change of helical twist sense.

Keywords: helical twist sense, liquid crystals, nuclear magnetic resonance spectroscopy, vibrational spectroscopy

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890 Study of the Ambiguity of Effective Hamiltonian for the Fundamental Degenerate States V3 of the Molecule 12CD4

Authors: Ouardi Okkacha, Kaarour Abedlkrim, Meskine Mohamed

Abstract:

The effective Hamiltonians are widely used in molecular spectroscopy for the interpretation of the vibration-rotation spectra. Their construction is an ambiguous procedure due to the existence of unitary transformations that change the effective Hamiltonian but do not change its eigenvalues. As a consequence of this ambiguity, it may happen that some parameters of effective Hamiltonians cannot be recovered from experimental data in a unique way. The type of admissible transformations which keeps the operator form of the effective Hamiltonian unaltered and the number of empirically determinable parameters strongly depend on the symmetry type of a molecule (asymmetric top, spherical top, and so on) and on the degeneracy of the vibrational state. In this work, we report the study of the ambiguity of effective Hamiltonian for the fundamental degenerate states v3 of the Molecule 12CD4.

Keywords: 12CD4, high-resolution infrared spectra, tetrahedral tensorial formalism, vibrational states, rovibrational line position analysis, XTDS, SPVIEW

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889 Vibrational Spectra and Nonlinear Optical Investigations of a Chalcone Derivative (2e)-3-[4-(Methylsulfanyl) Phenyl]-1-(3-Bromophenyl) Prop-2-En-1-One

Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

Abstract:

Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

Procedia PDF Downloads 185