Search results for: spectral fingerprints

Authors: Praveen Kumar, R. Uma, R. P. Sharma

Abstract:

This study investigates the generation of turbulence in a deep-fluid environment using a damped 1D-modified nonlinear Schrödinger equation model. The well-known damped modified nonlinear Schrödinger equation (d-MNLS) is solved using numerical methods. Artificial damping is added to the MNLS equation, and turbulence generation is investigated through a numerical simulation. The numerical simulation employs a finite difference method for temporal evolution and a pseudo-spectral approach to characterize spatial patterns. The results reveal a recurring periodic pattern in both space and time when the nonlinear Schrödinger equation is considered. Additionally, the study shows that the modified nonlinear Schrödinger equation disrupts the localization of structure and the recurrence of the Fermi-Pasta-Ulam (FPU) phenomenon. The energy spectrum exhibits a power-law behavior, closely following Kolmogorov's spectra steeper than k⁻⁵/³ in the inertial sub-range.

Keywords: water waves, modulation instability, hydrodynamics, nonlinear Schrödinger's equation

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Authors: Jesus Ruano, Francesc Xavier Trias, Asensi Oliva

Abstract:

A three-dimensional incompressible Large Eddy Simulation (LES) is performed to compute the hydrodynamic field around a pair of tandem cylinders. Symmetry-preserving schemes will be used during this simulation in conjunction with Finite Volume Method (FVM) to obtain the hydrodynamic field around the selected geometry. A set of results consisting of pressure and velocity and the combination of them will be stored at different surfaces near the cylinders as the initial input for the second part of the study. A post-processing of the obtained results based on Ffowcs-Williams and Hawkings (FWH) equation with a Fourier Transform of the acoustic sources will be used to compute noise at several probes located far away from the region where the hydrodynamics are computed. Directivities as well as spectral profile of the obtained acoustic field will be analyzed.

Keywords: far-field noise, Ffowcs-Williams and Hawkings, finite volume method, large eddy simulation, long-span bodies

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Authors: R. J. Chang

Abstract:

A cyclostationary Gaussian linearization method is formulated for investigating the time average response of nonlinear system under sinusoidal signal and white noise excitation. The quantitative measure of cyclostationary mean, variance, spectrum of mean amplitude, and mean power spectral density of noise is analyzed. The qualitative response behavior of stochastic jump and bifurcation are investigated. The validity of the present approach in predicting the quantitative and qualitative statistical responses is supported by utilizing Monte Carlo simulations. The present analysis without imposing restrictive analytical conditions can be directly derived by solving non-linear algebraic equations. The analytical solution gives reliable quantitative and qualitative prediction of mean and noise response for the Duffing system subjected to both sinusoidal signal and white noise excitation.

Keywords: cyclostationary, duffing system, Gaussian linearization, sinusoidal, white noise

Procedia PDF Downloads 468

Authors: M. Mesrouk, A. Hadj Arab

Abstract:

This work allows highlight the effect of dust on the absorption of the optical spectrum on the photovoltaic module, the effect of the particles dust presence on the photovoltaic modules have been a microscopic scale studied with COMSOL Multi-physic software simulation. In this paper, we have supposed the dust layer as a diffraction network repetitive optical structure characterized by the spacing between particle which represented by 'd' and the simulated structure (air-dust particle-glass). In this study we can observe the relationship between the wavelength and the particle spacing, the simulation shows us that the maximum wavelength transmission value corresponding, λ0 = 400nm, which represent the spacing value between the particles dust, d = 400 nm. In fact, we can observe that while increase dust layer density the wavelength transmission value decrease, there is a relationship between the density and wavelength value which can be absorbed in a dusty photovoltaic panel.

Keywords: dust effect, photovoltaic module, spectral absorption, wavelength transmission

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Authors: Humaira Khan, Mohsin Javed, Sammia Shahid

Abstract:

The reinforced photocatalytic activity of graphene oxide (GO) along with composites of ZnO nanoparticles and copper-doped ZnO nanoparticles were studied by synthesizing ZnO and copper- doped ZnO nanoparticles by co-precipitation method. Zinc acetate and copper acetate were used as precursors, whereas graphene oxide was prepared from pre-oxidized graphite in the presence of H2O2.The supernatant was collected carefully and showed high-quality single-layer characterized by FTIR (Fourier Transform Infrared Spectroscopy), TEM (Transmission Electron Microscopy), SEM (Scanning Electron Microscopy), XRD (X-ray Diffraction Analysis), EDS (Energy Dispersive Spectrometry). The degradation of methylene blue as standard pollutant under UV-Visible irradiation gave results for photocatalytic activity of dopants. It could be concluded that shrinking of optical band caused by composites of Cu-dopped nanoparticles with GO enhances the photocatalytic activity.

Keywords: degradation, graphene oxide, photocatalysis, ZnO nanoparticles and copper-doped ZnO nanoparticles

Procedia PDF Downloads 186

Authors: Fahrudin Nugroho, Halim Hamadi, Yusril Yusuf, Pekik Nurwantoro, Ari Setiawan, Yoshiki Hidaka

Abstract:

We investigate the Nikolaevskiy equation numerically using exponential time differencing method and pseudo-spectral method. This equation develops a long-wavelength modulation that behaves as a Nambu–Goldstone mode, and short-wavelength instability and exhibit turbulence. Using the autocorrelation analysis, the statistical properties of the turbulence governed by the equation are investigated. The autocorrelation then has been fitted with The Kohlrausch– Williams–Watts (KWW) expression. By varying the control parameter, we show a transition from compressed to stretched exponential for the auto-correlation function of Nikolaevskiy turbulence. The compressed exponential is an indicator of the existence of dynamical heterogeneity while the stretched indicates aging process. Thereby, we revealed the existence of dynamical heterogeneity and aging in the turbulence governed by Nikolaevskiy equation.

Keywords: compressed exponential, dynamical heterogeneity, Nikolaevskiy equation, stretched exponential, turbulence

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Authors: İsmail Kavdır, M. Burak Büyükcan, Ferhat Kurtulmuş

Abstract:

Table olive is a valuable product especially in Mediterranean countries. It is usually consumed after some fermentation process. Defects happened naturally or as a result of an impact while olives are still fresh may become more distinct after processing period. Defected olives are not desired both in table olive and olive oil industries as it will affect the final product quality and reduce market prices considerably. Therefore it is critical to sort table olives before processing or even after processing according to their quality and surface defects. However, doing manual sorting has many drawbacks such as high expenses, subjectivity, tediousness and inconsistency. Quality criterions for green olives were accepted as color and free of mechanical defects, wrinkling, surface blemishes and rotting. In this study, it was aimed to classify fresh table olives using different classifiers and NIR spectroscopy readings and also to compare the classifiers. For this purpose, green (Ayvalik variety) olives were classified based on their surface feature properties such as defect-free, with bruised defect and with fly defect using FT-NIR spectroscopy and classification algorithms such as artificial neural networks, ident and cluster. Bruker multi-purpose analyzer (MPA) FT-NIR spectrometer (Bruker Optik, GmbH, Ettlingen Germany) was used for spectral measurements. The spectrometer was equipped with InGaAs detectors (TE-InGaAs internal for reflectance and RT-InGaAs external for transmittance) and a 20-watt high intensity tungsten–halogen NIR light source. Reflectance measurements were performed with a fiber optic probe (type IN 261) which covered the wavelengths between 780–2500 nm, while transmittance measurements were performed between 800 and 1725 nm. Thirty-two scans were acquired for each reflectance spectrum in about 15.32 s while 128 scans were obtained for transmittance in about 62 s. Resolution was 8 cm⁻¹ for both spectral measurement modes. Instrument control was done using OPUS software (Bruker Optik, GmbH, Ettlingen Germany). Classification applications were performed using three classifiers; Backpropagation Neural Networks, ident and cluster classification algorithms. For these classification applications, Neural Network tool box in Matlab, ident and cluster modules in OPUS software were used. Classifications were performed considering different scenarios; two quality conditions at once (good vs bruised, good vs fly defect) and three quality conditions at once (good, bruised and fly defect). Two spectrometer readings were used in classification applications; reflectance and transmittance. Classification results obtained using artificial neural networks algorithm in discriminating good olives from bruised olives, from olives with fly defect and from the olive group including both bruised and fly defected olives with success rates respectively changing between 97 and 99%, 61 and 94% and between 58.67 and 92%. On the other hand, classification results obtained for discriminating good olives from bruised ones and also for discriminating good olives from fly defected olives using the ident method ranged between 75-97.5% and 32.5-57.5%, respectfully; results obtained for the same classification applications using the cluster method ranged between 52.5-97.5% and between 22.5-57.5%.

Keywords: artificial neural networks, statistical classifiers, NIR spectroscopy, reflectance, transmittance

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Authors: S. J. Addinell, T. Richard, B. Evans

Abstract:

The Deep Exploration Technologies Cooperative Research Centre (DET CRC) is researching and developing a new coiled tubing based greenfields mineral exploration drilling system utilising downhole water powered percussive drill tooling. This new drilling system is aimed at significantly reducing the costs associated with identifying mineral resource deposits beneath deep, barron cover. This system has shown superior rates of penetration in water-rich hard rock formations at depths exceeding 500 meters. Several key challenges exist regarding the deployment and use of these bottom hole assemblies for mineral exploration, and this paper discusses some of the key technical challenges. This paper presents experimental results obtained from the research program during laboratory and field testing of the prototype drilling system. A study of the morphological aspects of the cuttings generated during the percussive drilling process is presented and shows a strong power law relationship for particle size distributions. Several percussive drilling parameters such as RPM, applied fluid pressure and weight on bit have been shown to influence the particle size distributions of the cuttings generated. This has direct influence on other drilling parameters such as flow loop performance, cuttings dewatering, and solids control. Real-time, accurate knowledge of percussive system operating parameters will assist the driller in maximising the efficiency of the drilling process. The applied fluid flow, fluid pressure, and rock properties are known to influence the natural oscillating frequency of the percussive hammer, but this paper also shows that drill bit design, drill bit wear and the applied weight on bit can also influence the oscillation frequency. Due to the changing drilling conditions and therefore changing operating parameters, real-time understanding of the natural operating frequency is paramount to achieving system optimisation. Several techniques to understand the oscillating frequency have been investigated and presented. With a conventional top drive drilling rig, spectral analysis of applied fluid pressure, hydraulic feed force pressure, hold back pressure and drill string vibrations have shown the presence of the operating frequency of the bottom hole tooling. Unfortunately, however, with the implementation of a coiled tubing drilling rig, implementing a positive displacement downhole motor to provide drill bit rotation, these signals are not available for interrogation at the surface and therefore another method must be considered. The investigation and analysis of ground vibrations using geophone sensors, similar to seismic-while-drilling techniques have indicated the presence of the natural oscillating frequency of the percussive hammer. This method is shown to provide a robust technique for the determination of the downhole percussive oscillation frequency when used with a coiled tubing drill rig.

Keywords: cuttings characterization, drilling optimization, oscillation frequency, percussive drilling, spectral analysis

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Authors: Juan Heredia, Naci Dilekli

Abstract:

The Ecuadorian Rainforest has been polluted for almost 60 years with little to no regard to oversight, law, or regulations. The consequences have been vast environmental damage such as pollution and deforestation, as well as sickness and the death of many people and animals. The aim of this paper is to quantify and localize the polluted zones, which something that has not been conducted and is the first step for remediation. To approach this problem, multi-spectral Remote Sensing imagery was utilized using a novel algorithm developed for this study, based on four normalized indices available in the literature. The algorithm classifies the pixels in polluted or healthy ones. The results of this study include a new algorithm for pixel classification and quantification of the polluted area in the selected image. Those results were finally validated by ground control points found in the literature. The main conclusion of this work is that using hyperspectral images, it is possible to identify polluted vegetation. The future work is environmental remediation, in-situ tests, and more extensive results that would inform new policymaking.

Keywords: remote sensing, oil pollution quatification, amazon forest, hyperspectral remote sensing

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Authors: Bharti Gupta, V. K. Kukreja

Abstract:

A comprehensive numerical study is presented for the solution of time-dependent advection diffusion problems by using cubic B-spline collocation method. The linear combination of cubic B-spline basis, taken as approximating function, is evaluated using the zeros of shifted Chebyshev polynomials as collocation points in each element to obtain the best approximation. A comparison, on the basis of efficiency and accuracy, with the previous techniques is made which confirms the superiority of the proposed method. An asymptotic convergence analysis of technique is also discussed, and the method is found to be of order two. The theoretical analysis is supported with suitable examples to show second order convergence of technique. Different numerical examples are simulated using MATLAB in which the 3-D graphical presentation has taken at different time steps as well as different domain of interest.

Keywords: cubic B-spline basis, spectral norms, shifted Chebyshev polynomials, collocation points, error estimates

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Authors: Jihad S. Daba, J. P. Dubois

Abstract:

Understanding the statistics of non-isotropic scattering multipath channels that fade randomly with respect to time, frequency, and space in a mobile environment is very crucial for the accurate detection of received signals in wireless and cellular communication systems. In this paper, we derive stochastic models for the probability density function (PDF) of the shift in the carrier frequency caused by the Doppler Effect on the received illuminating signal in the presence of a dominant line of sight. Our derivation is based on a generalized Clarke’s and a two-wave partially developed scattering models, where the statistical distribution of the frequency shift is shown to be consistent with the power spectral density of the Doppler shifted signal.

Keywords: Doppler shift, filtered Poisson process, generalized Clark’s model, non-isotropic scattering, partially developed scattering, Rician distribution

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Authors: Birmohan Singh, V.K.Jain

Abstract:

Computer aided diagnosis systems provide vital opinion to radiologists in the detection of early signs of breast cancer from mammogram images. Masses and microcalcifications, architectural distortions are the major abnormalities. In this paper, a computer aided diagnosis system has been proposed for distinguishing abnormal mammograms with architectural distortion from normal mammogram. Four types of texture features GLCM texture, GLRLM texture, fractal texture and spectral texture features for the regions of suspicion are extracted. Support Vector Machine has been used as classifier in this study. The proposed system yielded an overall sensitivity of 96.47% and accuracy of 96% for the detection of abnormalities with mammogram images collected from Digital Database for Screening Mammography (DDSM) database.

Keywords: architecture distortion, mammograms, GLCM texture features, GLRLM texture features, support vector machine classifier

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Authors: Svetlana Nikitenkova, Dmitry Kovriguine

Abstract:

Stationary energy partition between waves in a one dimensional carbyne chain at ambient temperatures is investigated. The study is carried out by standard asymptotic methods of nonlinear dynamics in the framework of classical mechanics, based on a simple mathematical model, taking into account central and noncentral interactions between carbon atoms. Within the first-order nonlinear approximation analysis, triple-mode resonant ensembles of quasi-harmonic waves are revealed. Any resonant triad consists of a single primary high-frequency longitudinal mode and a pair of secondary low-frequency transverse modes of oscillations. In general, the motion of the carbyne chain is described by a superposition of resonant triads of various spectral scales. It is found that the stationary energy distribution is obeyed to the classical Rayleigh–Jeans law, at the expense of the proportional amplitude dispersion, except a shift in the frequency band, upwards the spectrum.

Keywords: resonant triplet, Rayleigh–Jeans law, amplitude dispersion, carbyne

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Authors: Irum Matloob, Shoab Ahmad Khan, Fahim Arif

Abstract:

As Indo-Pak has been the victim of heart diseases since many decades. Many surveys showed that percentage of cardiac patients is increasing in Pakistan day by day, and special attention is needed to pay on this issue. The framework is proposed for performing detailed analysis of ECG survey data which is conducted for measuring prevalence of heart diseases statistics in Pakistan. The ECG survey data is evaluated or filtered by using automated Minnesota codes and only those ECGs are used for further analysis which is fulfilling the standardized conditions mentioned in the Minnesota codes. Then feature selection is performed by applying proposed algorithm based on discernibility matrix, for selecting relevant features from the database. Clustering is performed for exposing natural clusters from the ECG survey data by applying spectral clustering algorithm using fuzzy c means algorithm. The hidden patterns and interesting relationships which have been exposed after this analysis are useful for further detailed analysis and for many other multiple purposes.

Keywords: arrhythmias, centroids, ECG, clustering, discernibility matrix

Procedia PDF Downloads 445

Authors: Ahmed Hamida Boudinar, Noureddine Benouzza, Azeddine Bendiabdellah, Mohamed El Amine Khodja

Abstract:

This paper describes a new diagnosis approach for identification of the progressive stator winding inter-turn short-circuit fault in induction motor. This approach is based on a simple monitoring of the combined information related to both magnitude and phase-angle obtained from the fundamental by the three line currents frequency analysis. In addition, to simplify the interpretation and analysis of the data; a new graphical tool based on a triangular representation is suggested. This representation, depending on its size, enables to visualize in a simple and clear manner, the existence of the stator inter-turn short-circuit fault and its discrimination with respect to a healthy stator. Experimental results show well the benefit and effectiveness of the proposed approach.

Keywords: induction motor, magnitude, phase-angle, spectral analysis, stator fault

Procedia PDF Downloads 337

Authors: Md. Khayrul Bashar, Md. Saiful Islam, Kimiko Yamashita, Yano Midori

Abstract:

Despite having some progress in human authentication, conventional biometrics (e.g., facial features, fingerprints, retinal scans, gait, voice patterns) are not robust against falsification because they are neither confidential nor secret to an individual. As a non-invasive tool, electrocardiogram (ECG) has recently shown a great potential in human recognition due to its unique rhythms characterizing the variability of human heart structures (chest geometry, sizes, and positions). Moreover, ECG has a real-time vitality characteristic that signifies the live signs, which ensure legitimate individual to be identified. However, the detection accuracy of the current ECG-based methods is not sufficient due to a high variability of the individual’s heartbeats at a different instance of time. These variations may occur due to muscle flexure, the change of mental or emotional states, and the change of sensor positions or long-term baseline shift during the recording of ECG signal. In this study, a new method is proposed for human identification, which is based on the extraction of the local roughness of ECG heartbeat signals. First ECG signal is preprocessed using a second order band-pass Butterworth filter having cut-off frequencies of 0.00025 and 0.04. A number of local binary patterns are then extracted by applying a moving neighborhood window along the ECG signal. At each instant of the ECG signal, the pattern is formed by comparing the ECG intensities at neighboring time points with the central intensity in the moving window. Then, binary weights are multiplied with the pattern to come up with the local roughness description of the signal. Finally, histograms are constructed that describe the heartbeat signals of individual subjects in the database. One advantage of the proposed feature is that it does not depend on the accuracy of detecting QRS complex, unlike the conventional methods. Supervised recognition methods are then designed using minimum distance to mean and Bayesian classifiers to identify authentic human subjects. An experiment with sixty (60) ECG signals from sixty adult subjects from National Metrology Institute of Germany (NMIG) - PTB database, showed that the proposed new method is promising compared to a conventional interval and amplitude feature-based method.

Keywords: human identification, ECG biometrics, local roughness patterns, supervised classification

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Authors: B. Siva Kumar Reddy, B. Lakshmi

Abstract:

Cognitive Radio is a turning out technology that empowers viable usage of the spectrum. Energy Detector-based Sensing is the most broadly utilized spectrum sensing strategy. Besides, it is a lot of generic as receivers does not like any information on the primary user's signals, channel data, of even the sort of modulation. This paper puts forth the execution of energy detection sensing for AM (Amplitude Modulated) signal at 710 KHz, FM (Frequency Modulated) signal at 103.45 MHz (local station frequency), Wi-Fi signal at 2.4 GHz and WiMAX signals at 6 GHz. The OFDM/OFDMA based WiMAX physical layer with convolutional channel coding is actualized utilizing USRP N210 (Universal Software Radio Peripheral) and GNU Radio based Software Defined Radio (SDR). Test outcomes demonstrated the BER (Bit Error Rate) augmentation with channel noise and BER execution is dissected for different Eb/N0 (the energy per bit to noise power spectral density ratio) values.

Keywords: BER, Cognitive Radio, GNU Radio, OFDM, SDR, WiMAX

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Authors: Jesus Ruano, Asensi Oliva

Abstract:

The hydrodynamic field generated by a jet expansion is computed via three dimensional compressible Large Eddy Simulation (LES). Finite Volume Method (FVM) will be the discretization used during this simulation as well as hybrid schemes based on Kinetic Energy Preserving (KEP) schemes and up-winding Godunov based schemes with instabilities detectors. Velocity and pressure fields will be stored at different surfaces near the jet, but far enough to enclose all the fluctuations, in order to use them as input for the acoustic solver. The acoustic field is obtained in the far-field region at several locations by means of a hybrid method based on Ffowcs-Williams and Hawkings (FWH) equation. This equation will be formulated in the spectral domain, via Fourier Transform of the acoustic sources, which are modeled from the results of the initial simulation. The obtained results will allow the study of the broadband noise generated as well as sound directivities.

Keywords: far-field noise, Ffowcs-Williams and Hawkings, finite volume method, large eddy simulation, jet noise

Procedia PDF Downloads 277

Authors: Aitor Barbero-López, Soumaya Chibily, Gerhard Scheepers, Thomas Grahn, Martti Venäläinen, Antti Haapala

Abstract:

Wood decay is addressed continuously within the wood industry through use and development of wood preservatives. The increasing awareness on the negative effects of many chemicals towards the environment is causing political restrictions in their use and creating more urgent need for research on green alternatives. This paper discusses some of the possible natural extracts for wood preserving applications and compares the analytical methods available for testing their behavior and efficiency against decay fungi. The results indicate that natural extracts have interesting chemical constituents that delay fungal growth but vary in efficiency depending on the chemical concentration and substrate used. Results also suggest that presence and redistribution of preservatives in wood during exposure trials can be assessed by spectral imaging methods although standardized methods are not available. This study concludes that, in addition to the many standard methods available, there is a need to develop new faster methods for screening potential preservative formulation while maintaining the comparability and relevance of results.

Keywords: analytics, methods, preservatives, wood decay

Procedia PDF Downloads 210

Authors: Waqas A. Toor, Anis U. Baig, Nuaman Shafqat, Raafia Irfan, Muhammad Ashraf

Abstract:

A 2.45GHz microwave plasma system and its few applications have been developed. Argon and helium plasma is produced by metallic nozzle and also in a quartz tube at atmospheric pressure, using WR-340 waveguide and its tapered version. The waveguide applicator is also simulated in HFSS and field patterns are analyzed for maximum power absorption in the load. The system is tuned to operate at less than 10% reflected power. Various experimental techniques are used to initiate and sustain the plasma at atmospheric pressure. Plasma of atmospheric air is also produced without using any other shielding gas. The plasma flame is also characterized by its spectrum. Spectral analyses of plasma flame can be used for online analysis of combustion gases produced in industry. The applications of the system include glass and quartz processing, vitrification, emission spectroscopy, plasma coating. Low pressure plasma applications of the system include intense UV light for water purification and ozone generation.

Keywords: HFSS high frequency structure simulator, Microwave plasma, UV ultraviolet, WR rectangular waveguide

Procedia PDF Downloads 244

Authors: Irum Matloob, Shoab Ahmad Khan, Fahim Arif

Abstract:

As Indo-pak has been the victim of heart diseases since many decades. Many surveys showed that percentage of cardiac patients is increasing in Pakistan day by day, and special attention is needed to pay on this issue. The framework is proposed for performing detailed analysis of ECG survey data which is conducted for measuring the prevalence of heart diseases statistics in Pakistan. The ECG survey data is evaluated or filtered by using automated Minnesota codes and only those ECGs are used for further analysis which is fulfilling the standardized conditions mentioned in the Minnesota codes. Then feature selection is performed by applying proposed algorithm based on discernibility matrix, for selecting relevant features from the database. Clustering is performed for exposing natural clusters from the ECG survey data by applying spectral clustering algorithm using fuzzy c means algorithm. The hidden patterns and interesting relationships which have been exposed after this analysis are useful for further detailed analysis and for many other multiple purposes.

Keywords: arrhythmias, centroids, ECG, clustering, discernibility matrix

Procedia PDF Downloads 330

Authors: Sungkyung Kim, Jee-Hyeon Na, Dong-Seung Kwon

Abstract:

Future mobile networks following 5th generation will be characterized by one thousand times higher gains in capacity; connections for at least one hundred billion devices; user experience capable of extremely low latency and response times. To be close to the capacity requirements and higher reliability, advanced technologies have been studied, such as multiple connectivity, small cell enhancement, heterogeneous networking, and advanced interference and mobility management. This paper is focused on the multiple connectivity in heterogeneous cellular networks. We investigate the performance of coverage and user throughput in several deployment scenarios. Using the stochastic geometry approach, the SINR distributions and the coverage probabilities are derived in case of dual connection. Also, to compare the user throughput enhancement among the deployment scenarios, we calculate the spectral efficiency and discuss our results.

Keywords: heterogeneous networks, multiple connectivity, small cell enhancement, stochastic geometry

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Authors: Han-Bin Kim, Sooim Shin, Moonsung Choi

Abstract:

There is a growing interest in introducing a desired functional group on enzymes in the field of protein engineering. In here, various redox centers were newly created using histidine tag, which is widely used for protein purification, plus cobalt in one of cupredoxins, amicyanin. The coordination of Cobalt-His tag and reactivity of the Co²⁺ loaded His-tag also were characterized. 3xHis-tag, 6xHis-tag, and 9xHis-tag were introduced on amicyanin by site-directed mutagenesis, and then Co²⁺ was loaded on each His-tagged amicyanin. The spectral changes at 330 nm corresponding to cobalt binding on His-tag site indicated the binding ratio of 3xHis-tag, 6xHis-tag, and 9xHis-tag to cobalt as 1:1, 1:2, 1:3 respectively. Based on kinetic studies of binding cobalt to 3xHis-tag, 6xHis-tag, and 9xHis-tagged amicyanin, the nature of the sites was elucidated. In addition, internal electron transfer properties between Cu¹⁺ site and engineered site of amicyanin were determined. These results provide insight into improvement of metal coordination and alternation of the redox properties of metal as a new catalytic site on proteins.

Keywords: amicyanin, cobalt, histidine, protein engineering

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Authors: B. K. Kanungo, Monika Thakur, Minati Baral

Abstract:

8-hydroxyquinoline, (8HQ), experiences a renaissance due to its utility as a building block in metallosupramolecular chemistry and its versatile use of its derivatives in various fields of analytical chemistry, materials science, and pharmaceutics. It forms stable complexes with a variety of metal ions. Assembly of more than one such unit to form a polydentate chelator enhances its coordinating ability and the related properties due to the chelate effect resulting in high stability constant. Keeping in view the above, a nonadentate chelator N-[3,5-bis(8-hydroxyquinoline-2-amido)cyclohexyl]-8-hydroxyquinoline-2-carboxamide, (TACH2OX), containing a central cis,cis-1,3,5-triaminocyclohexane appended to three 8-hydroxyquinoline at 2-position through amide linkage is developed, and its solution thermodynamics, photophysical and Density Functional Theory (DFT) studies were undertaken. The synthesis of TACH2OX was carried out by condensation of cis,cis-1,3,5-triaminocyclohexane, (TACH) with 8‐hydroxyquinoline‐2‐carboxylic acid. The brown colored solid has been fully characterized through melting point, infrared, nuclear magnetic resonance, electrospray ionization mass and electronic spectroscopy. In solution, TACH2OX forms protonated complexes below pH 3.4, which consecutively deprotonates to generate trinegative ion with the rise of pH. Nine protonation constants for the ligand were obtained that ranges between 2.26 to 7.28. The interaction of the chelator with two trivalent metal ion Fe3+ and Al3+ were studied in aqueous solution at 298 K. The metal-ligand formation constants (ML) obtained by potentiometric and spectrophotometric method agree with each other. The protonated and hydrolyzed species were also detected in the system. The in-silico studies of the ligand, as well as the complexes including their protonated and deprotonated species assessed by density functional theory technique, gave an accurate correlation with each observed properties such as the protonation constants, stability constants, infra-red, nmr, electronic absorption and emission spectral bands. The nature of electronic and emission spectral bands in terms of number and type were ascertained from time-dependent density functional theory study and the natural transition orbitals (NTO). The global reactivity indices parameters were used for comparison of the reactivity of the ligand and the complex molecules. The natural bonding orbital (NBO) analysis could successfully describe the structure and bonding of the metal-ligand complexes specifying the percentage of contribution in atomic orbitals in the creation of molecular orbitals. The obtained high value of metal-ligand formation constants indicates that the newly synthesized chelator is a very powerful synthetic chelator. The minimum energy molecular modeling structure of the ligand suggests that the ligand, TACH2OX, in a tripodal fashion firmly coordinates to the metal ion as hexa-coordinated chelate displaying distorted octahedral geometry by binding through three sets of N, O- donor atoms, present in each pendant arm of the central tris-cyclohexaneamine tripod.

Keywords: complexes, DFT, formation constant, TACH2OX

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Authors: Lekha Logu

Abstract:

The coordination behavior of the newly synthesized Schiff base ligands, 4-bromo-2-((p-tolyl imino) methyl) phenol obtained by condensing para-toluidine with 5-bromo salicylaldehyde and N-(3,4-dichloro benzylidene)-4-methylbenzenamine obtained by condensing Para-toluidine with 3,4-dichloro benzaldehyde in ethanolic medium has been explored in this current study. The synthesized Schiff’s base ligands were complexed with lanthanide nitrate salts yielding [LnL(NO3)2(H2O)2]NO3, (Ln=Pr, Sm). Elemental analysis, conductance measurement, and spectral techniques like Nuclear Magnetic Resonance (NMR), Ultraviolet-visible (UV-Vis) and Fourier Transform Infrared (FTIR) have been used to characterize Schiff’s base ligands and their lanthanide metal complexes. An attempt has been made on these complexes for their antimicrobial activity against the gram-positive and gram-negative bacterial species like Escherichia coli, Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumonia and fungal species like Canadida and Aspergillus.

Keywords: lanthanide complexes, Schiff's base, antimicrobial assay, synthesis, characterization

Procedia PDF Downloads 47

Authors: Ehsan Javanmardemamgheisi, Javad Mehr, Jason Ali-Lavroff, Damien Holloway, Michael Davis

Abstract:

During the last decades, a growing interest in faster and more efficient waterborne transportation has led to the development of high-speed vessels for both commercial and military applications. To satisfy this global demand, a wide variety of arrangements of high-speed crafts have been proposed by designers. Among them, high-speed catamarans have proven themselves to be a suitable Roll-on/Roll-off configuration for carrying passengers and cargo due to widely spaced demi hulls, a wide deck zone, and a high ratio of deadweight to displacement. To improve passenger comfort and crew workability and enhance the operability and performance of high-speed catamarans, mitigating the severity of motions and structural loads using Ride Control Systems (RCS) is essential.In this paper, a set of towing tank tests was conducted on a 2.5 m scaled model of a 112 m Incat Tasmania high-speed catamaran in irregular head seas to investigate the effect of different ride control algorithms including linear and nonlinear versions of the heave control, pitch control, and local control on motion responses and passenger comfort of the full-scale ship. The RCS included a centre bow-fitted T-Foil and two transom-mounted stern tabs. All the experiments were conducted at the Australian Maritime College (AMC) towing tank at a model speed of 2.89 m/s (37 knots full scale), a modal period of 1.5 sec (10 sec full scale) and two significant wave heights of 60 mm and 90 mm, representing full-scale wave heights of 2.7 m and 4 m, respectively. Spectral analyses were performed using Welch’s power spectral density method on the vertical motion time records of the catamaran model to calculate heave and pitch Response Amplitude Operators (RAOs). Then, noting that passenger discomfort arises from vertical accelerations and that the vertical accelerations vary at different longitudinal locations within the passenger cabin due to the variations in amplitude and relative phase of the pitch and heave motions, the vertical accelerations were calculated at three longitudinal locations (LCG, T-Foil, and stern tabs). Finally, frequency-weighted Root Mean Square (RMS) vertical accelerations were calculated to estimate Motion Sickness Dose Value (MSDV) of the ship based on ISO 2631-recommendations. It was demonstrated that in small seas, implementing a nonlinear pitch control algorithm reduces the peak pitch motions by 41%, the vertical accelerations at the forward location by 46%, and motion sickness at the forward position by around 20% which provides great potential for further improvement in passenger comfort, crew workability, and operability of high-speed catamarans.

Keywords: high-speed catamarans, ride control system, response amplitude operators, vertical accelerations, motion sickness, irregular waves, towing tank tests.

Procedia PDF Downloads 58

Authors: Saba Rahman, Arvind K. Jain, S. D. Bharti, T. K. Datta

Abstract:

Chimneys are generally tall and slender structures with circular cross-sections, due to which they are highly prone to wind forces. Wind exerts pressure on the wall of the chimneys, which produces unwanted forces. Vortex-induced oscillation is one of such excitations which can lead to the failure of the chimneys. Therefore, vortex-induced oscillation of chimneys is of great concern to researchers and practitioners since many failures of chimneys due to vortex shedding have occurred in the past. As a consequence, extensive research has taken place on the subject over decades. Many laboratory experiments have been performed to verify the theoretical models proposed to predict vortex-induced forces, including aero-elastic effects. Comparatively, very few proto-type measurement data have been recorded to verify the proposed theoretical models. Because of this reason, the theoretical models developed with the help of experimental laboratory data are utilized for analyzing the chimneys for vortex-induced forces. This calls for reliability analysis of the predictions of the responses of the chimneys produced due to vortex shedding phenomena. Although several works of literature exist on the vortex-induced oscillation of chimneys, including code provisions, the reliability analysis of chimneys against failure caused due to vortex shedding is scanty. In the present study, the reliability analysis of chimneys against vortex shedding failure is presented, assuming the uncertainty in vortex shedding phenomena to be significantly more than other uncertainties, and hence, the latter is ignored. The vortex shedding is modeled as a stationary random process and is represented by a power spectral density function (PSDF). It is assumed that the vortex shedding forces are perfectly correlated and act over the top one-third height of the chimney. The PSDF of the tip displacement of the chimney is obtained by performing a frequency domain spectral analysis using a matrix approach. For this purpose, both chimney and random wind forces are discretized over a number of points along with the height of the chimney. The method of analysis duly accounts for the aero-elastic effects. The double barrier threshold crossing level, as proposed by Vanmarcke, is used for determining the probability of crossing different threshold levels of the tip displacement of the chimney. Assuming the annual distribution of the mean wind velocity to be a Gumbel type-I distribution, the fragility curve denoting the variation of the annual probability of threshold crossing against different threshold levels of the tip displacement of the chimney is determined. The reliability estimate is derived from the fragility curve. A 210m tall concrete chimney with a base diameter of 35m, top diameter as 21m, and thickness as 0.3m has been taken as an illustrative example. The terrain condition is assumed to be that corresponding to the city center. The expression for the PSDF of the vortex shedding force is taken to be used by Vickery and Basu. The results of the study show that the threshold crossing reliability of the tip displacement of the chimney is significantly influenced by the assumed structural damping and the Gumbel distribution parameters. Further, the aero-elastic effect influences the reliability estimate to a great extent for small structural damping.

Keywords: chimney, fragility curve, reliability analysis, vortex-induced vibration

Procedia PDF Downloads 137

Authors: Muhammad Shahzad Shifa, Amna Shifa, Muhammad Omar, Aamir Shahzad, Rahmat Ali Khan

Abstract:

Many applications of remote sensing to vegetation and crop response depend on spectral properties of individual leaves and plants. Vegetation indices are usually determined to estimate crop biophysical parameters like crop canopies and crop leaf area indices with the help of remote sensing. Cotton crops assessment is performed with the help of vegetative indices. Remotely sensed images from an optical multispectral radiometer MSR5 are used in this study. The interpretation is based on the fact that different materials reflect and absorb light differently at different wavelengths. Non-normalized and normalized forms of these datasets are analyzed using two complementary data mining algorithms; K-means and K-nearest neighbor (KNN). Our analysis shows that the use of normalized reflectance data and vegetative indices are suitable for an automated assessment and decision making.

Keywords: cotton, condition assessment, KNN algorithm, clustering, MSR5, vegetation indices

Procedia PDF Downloads 306

Authors: S. H. Bae, D. W. Cho, W. B. Jeong, J. R. Cho

Abstract:

Fatigue fracture of an aluminum welded structure is a phenomenon frequently occurring from pores in a weld. In order to grasp the state of the welded structure in operation in real time, the acceleration signal of the structure is measured. At this time, the vibration characteristic of the signal according to the fatigue load is an important parameter of the state diagnosis. This paper was an experimental study on the variation of vibration characteristics of welded beams with vibration aging (especially bending vibration). First simple beams were produced according to welding conditions. Each beam was vibrated and measured beam's PSD (power spectral density) according to the degree of aging. Also, modal testing was conducted to compare the transfer functions of welded beams. Testing result shows that the natural frequencies of the beam changed with the vibration aging due to the change of stiffness in welding part and its stiffness was estimated by the finite element method.

Keywords: modal testing, natural frequency, vibration aging, welded structure

Procedia PDF Downloads 467

Authors: Angelo Lanzilotto, Martin Kuss-Petermann, Catherine E. Housecroft, Edwin C. Constable, Oliver S. Wenger

Abstract:

We recently described the synthesis of a new tetraphenylporphyrinatozinc(II)-conjugated 2,2':6',6"-terpyridine (1) in which the tpy domain enables the molecule to act as a metalloligand. The synthetic route to 1 has been optimized, the importance of selecting a particular sequence of synthetic steps will be discussed. Three homoleptic complexes have been prepared, [Zn(1)₂]²⁺, [Fe(1)₂]²⁺ and [Ru(1)₂]²⁺, and have been isolated as the hexafluoridophosphate salts. Spectroelectrochemical measurements have been performed and the spectral changes ascribed to redox processes are partitioned on either the porphyrin or the terpyridine units. Compound 1 undergoes a reversible one-electron oxidation/reduction. The removal/gain of a second electron leads to a further irreversible chemical transformation. For the homoleptic [M(1)₂]²⁺ complexes, a suitable potential can be chosen at which both the oxidation and the reduction of the {ZnTPP} core are reversible. When the homoleptic complex contains a redox active metal such as Fe or Ru, spectroelectrochemistry has been used to investigate the metal to ligand charge transfer (MLCT) transition. The latter is sensitive to the oxidation state of the metal, and electrochemical oxidation of the metal center suppresses it. Detailed spectroelectrochemical studies will be presented.

Keywords: homoleptic complexes, spectroelectrochemistry, tetraphenylporphyrinatozinc(II), 2, 2':6', 6"-terpyridine

Procedia PDF Downloads 197