Search results for: geometrical nonlinearity
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 552

Search results for: geometrical nonlinearity

402 Numerical Analysis of Charge Exchange in an Opposed-Piston Engine

Authors: Zbigniew Czyż, Adam Majczak, Lukasz Grabowski

Abstract:

The paper presents a description of geometric models, computational algorithms, and results of numerical analyses of charge exchange in a two-stroke opposed-piston engine. The research engine was a newly designed internal Diesel engine. The unit is characterized by three cylinders in which three pairs of opposed-pistons operate. The engine will generate a power output equal to 100 kW at a crankshaft rotation speed of 3800-4000 rpm. The numerical investigations were carried out using ANSYS FLUENT solver. Numerical research, in contrast to experimental research, allows us to validate project assumptions and avoid costly prototype preparation for experimental tests. This makes it possible to optimize the geometrical model in countless variants with no production costs. The geometrical model includes an intake manifold, a cylinder, and an outlet manifold. The study was conducted for a series of modifications of manifolds and intake and exhaust ports to optimize the charge exchange process in the engine. The calculations specified a swirl coefficient obtained under stationary conditions for a full opening of intake and exhaust ports as well as a CA value of 280° for all cylinders. In addition, mass flow rates were identified separately in all of the intake and exhaust ports to achieve the best possible uniformity of flow in the individual cylinders. For the models under consideration, velocity, pressure and streamline contours were generated in important cross sections. The developed models are designed primarily to minimize the flow drag through the intake and exhaust ports while the mass flow rate increases. Firstly, in order to calculate the swirl ratio [-], tangential velocity v [m/s] and then angular velocity ω [rad / s] with respect to the charge as the mean of each element were calculated. The paper contains comparative analyses of all the intake and exhaust manifolds of the designed engine. Acknowledgement: This work has been realized in the cooperation with The Construction Office of WSK "PZL-KALISZ" S.A." and is part of Grant Agreement No. POIR.01.02.00-00-0002/15 financed by the Polish National Centre for Research and Development.

Keywords: computational fluid dynamics, engine swirl, fluid mechanics, mass flow rates, numerical analysis, opposed-piston engine

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401 Burnishing Effect on the Mechanical Characteristics of 100C6

Authors: Ouahiba Taamallah, Tarek Litim

Abstract:

This work relates to the physico-geometrical aspect of the surface layers of 100C6 steel having undergone the burnishing treatment by hard steel ball. The application of tip diamond burnishing promotes better roughness compared to turning. In addition, it allows the surface layers to be consolidated by work hardening phenomena. The optimal effects are closely related to the parameters of the treatment and the active part of the device. With an 80% improvement in roughness resulting from the treatment, burnishing can be defined as a finishing operation within the machining range. With a 40% gain in consolidation rate, this treatment is an efficient process for material consolidation.

Keywords: 100C6 steel, burnishing, hardening, roughness

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400 Solving the Nonlinear Heat Conduction in a Spherical Coordinate with Electrical Simulation

Authors: A. M. Gheitaghy, H. Saffari, G. Q. Zhang

Abstract:

Numerical approach based on the electrical simulation method is proposed to solve a nonlinear transient heat conduction problem with nonlinear boundary for a spherical body. This problem represents a strong nonlinearity in both the governing equation for temperature dependent thermal property and the boundary condition for combined convective and radiative cooling. By analysing the equivalent electrical model using the electrical circuit simulation program HSPICE, transient temperature and heat flux distributions at sphere can be obtained easily and fast. The solutions clearly illustrate the effect of the radiation-conduction parameter Nrc, the Biot number and the linear coefficient of temperature dependent conductivity and heat capacity. On comparing the results with corresponding numerical solutions, the accuracy and efficiency of this computational method are found to be good.

Keywords: convective and radiative boundary, electrical simulation method, nonlinear heat conduction, spherical coordinate

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399 Correction Requirement to AISC Design Guide 31: Case Study of Web Post Buckling Design for Castellated Beams

Authors: Kitjapat Phuvoravan, Phattaraphong Ponsorn

Abstract:

In the design of Castellated beams (CB), the web post buckling acted by horizontal shear force is one of the important failure modes that have to be considered. It is also a dominant governing mode when design following the AISC 31 design guideline which is just published. However, the equation of the web post buckling given by the guideline is still questionable for most of the engineers. So the purpose of this paper is to study and provide a proposed equation for design the web post buckling with more simplified and convenient to use. The study is also including the improper of the safety factor given by the guideline. The proposed design equation is acquired by regression method based on the results of finite element analysis. An amount of Cellular beam simulated to study is modelled by using shell element, analysis with both geometric and material nonlinearity. The results of the study show that the use of the proposed equation to design the web post buckling in Castellated beams is more simple and precise for computation than the equations provided from the guideline.

Keywords: castellated beam, web opening, web post buckling, design equation

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398 Relational Attention Shift on Images Using Bu-Td Architecture and Sequential Structure Revealing

Authors: Alona Faktor

Abstract:

In this work, we present a NN-based computational model that can perform attention shifts according to high-level instruction. The instruction specifies the type of attentional shift using explicit geometrical relation. The instruction also can be of cognitive nature, specifying more complex human-human interaction or human-object interaction, or object-object interaction. Applying this approach sequentially allows obtaining a structural description of an image. A novel data-set of interacting humans and objects is constructed using a computer graphics engine. Using this data, we perform systematic research of relational segmentation shifts.

Keywords: cognitive science, attentin, deep learning, generalization

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397 Optimizing the Field Emission Performance of SiNWs-Based Heterostructures: Controllable Synthesis, Core-Shell Structure, 3D ZnO/Si Nanotrees and Graphene/SiNWs

Authors: Shasha Lv, Zhengcao Li

Abstract:

Due to the CMOS compatibility, silicon-based field emission (FE) devices as potential electron sources have attracted much attention. The geometrical arrangement and dimensional features of aligned silicon nanowires (SiNWs) have a determining influence on the FE properties. We discuss a multistep template replication process of Ag-assisted chemical etching combined with polystyrene (PS) spheres to fabricate highly periodic and well-aligned silicon nanowires, then their diameter, aspect ratio and density were further controlled via dry oxidation and post chemical treatment. The FE properties related to proximity and aspect ratio were systematically studied. A remarkable improvement of FE propertiy was observed with the average nanowires tip interspace increasing from 80 to 820 nm. On the basis of adjusting SiNWs dimensions and morphology, addition of a secondary material whose properties complement the SiNWs could yield a combined characteristic. Three different nanoheterostructures were fabricated to control the FE performance, they are: NiSi/Si core-shell structures, ZnO/Si nanotrees, and Graphene/SiNWs. We successfully fabricated the high-quality NiSi/Si heterostructured nanowires with excellent conformality. First, nickle nanoparticles were deposited onto SiNWs, then rapid thermal annealing process were utilized to form NiSi shell. In addition, we demonstrate a new and simple method for creating 3D nanotree-like ZnO/Si nanocomposites with a spatially branched hierarchical structure. Compared with the as-prepared SiNRs and ZnO NWs, the high-density ZnO NWs on SiNRs have exhibited predominant FE characteristics, and the FE enhancement factors were attributed to band bending effect and geometrical morphology. The FE efficiency from flat sheet structure of graphene is low. We discussed an effective approach towards full control over the diameter of uniform SiNWs to adjust the protrusions of large-scale graphene sheet deposited on SiNWs. The FE performance regarding the uniformity and dimensional control of graphene protrusions supported on SiNWs was systematically clarified. Therefore, the hybrid SiNWs/graphene structures with protrusions provide a promising class of field emission cathodes.

Keywords: field emission, silicon nanowires, heterostructures, controllable synthesis

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396 Numerical Computation of Generalized Rosenau Regularized Long-Wave Equation via B-Spline Over Butcher’s Fifth Order Runge-Kutta Approach

Authors: Guesh Simretab Gebremedhin, Saumya Rajan Jena

Abstract:

In this work, a septic B-spline scheme has been used to simplify the process of solving an approximate solution of the generalized Rosenau-regularized long-wave equation (GR-RLWE) with initial boundary conditions. The resulting system of first-order ODEs has dealt with Butcher’s fifth order Runge-Kutta (BFRK) approach without using finite difference techniques for discretizing the time-dependent variables at each time level. Here, no transformation or any kind of linearization technique is employed to tackle the nonlinearity of the equation. Two test problems have been selected for numerical justifications and comparisons with other researchers on the basis of efficiency, accuracy, and results of the two invariants Mᵢ (mass) and Eᵢ (energy) of some motion that has been used to test the conservative properties of the proposed scheme.

Keywords: septic B-spline scheme, Butcher's fifth order Runge-Kutta approach, error norms, generalized Rosenau-RLW equation

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395 Implemented Cascade with Feed Forward by Enthalpy Balance Superheated Steam Temperature Control for a Boiler with Distributed Control System

Authors: Kanpop Saion, Sakreya Chitwong

Abstract:

Control of superheated steam temperature in the steam generation is essential for the efficiency safety and increment age of the boiler. Conventional cascade PID temperature control in the super heater is known to be efficient to compensate disturbance. However, the complex of thermal power plant due to nonlinearity, load disturbance and time delay of steam of superheater system is bigger than other control systems. The cascade loop with feed forward steam temperature control with energy balance compensator using thermodynamic model has been used for the compensation the complex structure of superheater. In order to improve the performance of steam temperature control. The experiment is implemented for 100% load steady and load changing state. The cascade with feed forward with energy balance steam temperature control has stabilized the system as well.

Keywords: cascade with feed forward, boiler, superheated steam temperature control, enthalpy balance

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394 A Constitutive Model of Ligaments and Tendons Accounting for Fiber-Matrix Interaction

Authors: Ratchada Sopakayang, Gerhard A. Holzapfel

Abstract:

In this study, a new constitutive model is developed to describe the hyperelastic behavior of collagenous tissues with a parallel arrangement of collagen fibers such as ligaments and tendons. The model is formulated using a continuum approach incorporating the structural changes of the main tissue components: collagen fibers, proteoglycan-rich matrix and fiber-matrix interaction. The mechanical contribution of the interaction between the fibers and the matrix is simply expressed by a coupling term. The structural change of the collagen fibers is incorporated in the constitutive model to describe the activation of the fibers under tissue straining. Finally, the constitutive model can easily describe the stress-stretch nonlinearity which occurs when a ligament/tendon is axially stretched. This study shows that the interaction between the fibers and the matrix contributes to the mechanical tissue response. Therefore, the model may lead to a better understanding of the physiological mechanisms of ligaments and tendons under axial loading.

Keywords: constitutive model, fiber-matrix, hyperelasticity, interaction, ligament, tendon

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393 Unveiling Special Policy Regime, Judgment, and Taylor Rules in Tunisia

Authors: Yosra Baaziz, Moez Labidi

Abstract:

Given limited research on monetary policy rules in revolutionary countries, this paper challenges the suitability of the Taylor rule in characterizing the monetary policy behavior of the Tunisian Central Bank (BCT), especially in turbulent times. More specifically, we investigate the possibility that the Taylor rule should be formulated as a threshold process and examine the validity of such nonlinear Taylor rule as a robust rule for conducting monetary policy in Tunisia. Using quarterly data from 1998:Q4 to 2013:Q4 to analyze the movement of nominal short-term interest rate of the BCT, we find that the nonlinear Taylor rule improves its performance with the advent of special events providing thus a better description of the Tunisian interest rate setting. In particular, our results show that the adoption of an appropriate nonlinear approach leads to a reduction in the errors of 150 basis points in 1999 and 2009, and 60 basis points in 2011, relative to the linear approach.

Keywords: policy rule, central bank, exchange rate, taylor rule, nonlinearity

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392 A Method for Processing Unwanted Target Caused by Reflection in Secondary Surveillance Radar

Authors: Khanh D.Do, Loi V.Nguyen, Thanh N.Nguyen, Thang M.Nguyen, Vu T.Tran

Abstract:

Along with the development of Secondary surveillance radar (SSR) in air traffic surveillance systems, the Multipath phenomena has always been a noticeable problem. This following article discusses the geometrical aspect and power aspect of the Multipath interference caused by reflection in SSR and proposes a method to deal with these unwanted multipath targets (ghosts) by false-target position predicting and adaptive target suppressing. A field-experiment example is mentioned at the end of the article to demonstrate the efficiency of this measure.

Keywords: multipath, secondary surveillance radar, digital signal processing, reflection

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391 Thulium Laser Design and Experimental Verification for NIR and MIR Nonlinear Applications in Specialty Optical Fibers

Authors: Matej Komanec, Tomas Nemecek, Dmytro Suslov, Petr Chvojka, Stanislav Zvanovec

Abstract:

Nonlinear phenomena in the near- and mid-infrared region are attracting scientific attention mainly due to the supercontinuum generation possibilities and subsequent utilizations for ultra-wideband applications like e.g. absorption spectroscopy or optical coherence tomography. Thulium-based fiber lasers provide access to high-power ultrashort pump pulses in the vicinity of 2000 nm, which can be easily exploited for various nonlinear applications. The paper presents a simulation and experimental study of a pulsed thulium laser based for near-infrared (NIR) and mid-infrared (MIR) nonlinear applications in specialty optical fibers. In the first part of the paper the thulium laser is discussed. The thulium laser is based on a gain-switched seed-laser and a series of amplification stages for obtaining output peak powers in the order of kilowatts for pulses shorter than 200 ps in full-width at half-maximum. The pulsed thulium laser is first studied in a simulation software, focusing on seed-laser properties. Afterward, a pre-amplification thulium-based stage is discussed, with the focus of low-noise signal amplification, high signal gain and eliminating pulse distortions during pulse propagation in the gain medium. Following the pre-amplification stage a second gain stage is evaluated with incorporating a thulium-fiber of shorter length with increased rare-earth dopant ratio. Last a power-booster stage is analyzed, where the peak power of kilowatts should be achieved. Examples of analytical study are further validated by the experimental campaign. The simulation model is further corrected based on real components – parameters such as real insertion-losses, cross-talks, polarization dependencies, etc. are included. The second part of the paper evaluates the utilization of nonlinear phenomena, their specific features at the vicinity of 2000 nm, compared to e.g. 1550 nm, and presents supercontinuum modelling, based on the thulium laser pulsed output. Supercontinuum generation simulation is performed and provides reasonably accurate results, once fiber dispersion profile is precisely defined and fiber nonlinearity is known, furthermore input pulse shape and peak power must be known, which is assured thanks to the experimental measurement of the studied thulium pulsed laser. The supercontinuum simulation model is put in relation to designed and characterized specialty optical fibers, which are discussed in the third part of the paper. The focus is placed on silica and mainly on non-silica fibers (fluoride, chalcogenide, lead-silicate) in their conventional, microstructured or tapered variants. Parameters such as dispersion profile and nonlinearity of exploited fibers were characterized either with an accurate model, developed in COMSOL software or by direct experimental measurement to achieve even higher precision. The paper then combines all three studied topics and presents a possible application of such a thulium pulsed laser system working with specialty optical fibers.

Keywords: nonlinear phenomena, specialty optical fibers, supercontinuum generation, thulium laser

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390 Developed CNN Model with Various Input Scale Data Evaluation for Bearing Faults Prognostics

Authors: Anas H. Aljemely, Jianping Xuan

Abstract:

Rolling bearing fault diagnosis plays a pivotal issue in the rotating machinery of modern manufacturing. In this research, a raw vibration signal and improved deep learning method for bearing fault diagnosis are proposed. The multi-dimensional scales of raw vibration signals are selected for evaluation condition monitoring system, and the deep learning process has shown its effectiveness in fault diagnosis. In the proposed method, employing an Exponential linear unit (ELU) layer in a convolutional neural network (CNN) that conducts the identical function on positive data, an exponential nonlinearity on negative inputs, and a particular convolutional operation to extract valuable features. The identification results show the improved method has achieved the highest accuracy with a 100-dimensional scale and increase the training and testing speed.

Keywords: bearing fault prognostics, developed CNN model, multiple-scale evaluation, deep learning features

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389 Acid Fuchsin Dye Based PMMA Film for Holographic Investigations

Authors: G. Vinitha, A. Ramalingam

Abstract:

In view of a possible application in optical data storage devices, diffraction grating efficiency of an organic dye, Acid Fuchsin doped in PMMA matrix was studied under excitation with CW diode pumped Nd: YAG laser at 532 nm. The open aperture Z-scan of dye doped polymer displayed saturable absorption and the closed aperture Z-scan of the samples exhibited negative nonlinearity. The diffraction efficiency of the grating is the ratio of the intensity of the first order diffracted power to the incident read beam power. The dye doped polymer films were found to be good media for recording. It is observed that the formation of gratings strongly depend on the concentration of dye in the polymer film, the intensity ratios of the writing beams and the angle between the writing beams. It has been found that efficient writing can be made at an angle of 20° and when the intensity ratio of the writing beams is unity.

Keywords: diffraction efficiency, nonlinear optical material, saturable absorption, surface-relief-gratings

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388 Experimental Study on Drying Parameters of Freeze Drying Systems

Authors: Ali Osman Suiçmez, Emrah Deniz

Abstract:

In this study, control experiments were made on a freeze drying system of which were built a prototype. In experiments, apple slices in different geometrical shapes were dried and drying curves were gained. Then, the shapes which were the fastest for drying were determined. Twenty samples for each apple shapes were put in the prototype and dried. After the experiments, the humidity ratio of the samples and water activity values of the samples have been obtained. Obtained results show that the prototype is working and by comparing the results the shape which dried fastest was determined.

Keywords: freeze drying, vacuum, energy consumption, drying process, apple

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387 Bifurcation Curve for Semipositone Problem with Minkowski-Curvature Operator

Authors: Shao-Yuan Huang

Abstract:

We study the shape of the bifurcation curve of positive solutions for the semipositone problem with the Minkowski-curvature operator. The Minkowski-curvature problem plays an important role in certain fundamental issues in differential geometry and in the special theory of relativity. In addition, it is well known that studying the multiplicity of positive solutions is equivalent to studying the shape of the bifurcation curve. By the shape of the bifurcation curve, we can understand the change in the multiplicity of positive solutions with varying parameters. In this paper, our main technique is a time-map method used in Corsato's PhD Thesis. By this method, studying the shape of the bifurcation curve is equivalent to studying the shape of a certain function T with improper integral. Generally speaking, it is difficult to study the shape of T. So, in this paper, we consider two cases that the nonlinearity is convex or concave. Thus we obtain the following results: (i) If f''(u) < 0 for u > 0, then the bifurcation curve is C-shaped. (ii) If f''(u) > 0 for u > 0, then there exists η>β such that the bifurcation curve does not exist for 0 η. Furthermore, we prove that the bifurcation is C-shaped for L > η under a certain condition.

Keywords: bifurcation curve, Minkowski-curvature problem, positive solution, time-map method

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386 Axisymmetric Nonlinear Analysis of Point Supported Shallow Spherical Shells

Authors: M. Altekin, R. F. Yükseler

Abstract:

Geometrically nonlinear axisymmetric bending of a shallow spherical shell with a point support at the apex under linearly varying axisymmetric load was investigated numerically. The edge of the shell was assumed to be simply supported or clamped. The solution was obtained by the finite difference and the Newton-Raphson methods. The thickness of the shell was considered to be uniform and the material was assumed to be homogeneous and isotropic. Sensitivity analysis was made for two geometrical parameters. The accuracy of the algorithm was checked by comparing the deflection with the solution of point supported circular plates and good agreement was obtained.

Keywords: Bending, Nonlinear, Plate, Point support, Shell.

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385 Numerical Analysis of Dynamic Responses of the Plate Subjected to Impulsive Loads

Authors: Behzad Mohammadzadeh, Huyk Chun Noh

Abstract:

The plate is one of the popular structural elements used in a wide range of industries and structures. They may be subjected to blast loads during explosion events, missile attacks or aircraft attacks. This study is to investigate dynamic responses of the rectangular plate subjected to explosive loads. The effects of material properties and plate thickness on responses of the plate are to be investigated. The compressive pressure is applied to the surface of the plate. Different amounts of thickness in the range from 10mm to 30mm are considered for the plate to evaluate the changes in responses of the plate with respect to the plate thickness. Two different properties are considered for the steel. First, the analysis is performed by considering only the elastic-plastic properties for the steel plate. Later on damping is considered to investigate its effects on the responses of the plate. To do analysis, the numerical method using a finite element based package ABAQUS is applied. Finally, dynamic responses and graphs showing the relation between maximum displacement of the plate and aim parameters are provided.

Keywords: impulsive loaded plates, dynamic analysis, ABAQUS, material nonlinearity

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384 Artificial Neural Networks Face to Sudden Load Change for Shunt Active Power Filter

Authors: Dehini Rachid, Ferdi Brahim

Abstract:

The shunt active power filter (SAPF) is not destined only to improve the power factor, but also to compensate the unwanted harmonic currents produced by nonlinear loads. This paper presents a SAPF with identification and control method based on artificial neural network (ANN). To identify harmonics, many techniques are used, among them the conventional p-q theory and the relatively recent one the artificial neural network method. It is difficult to get satisfied identification and control characteristics by using a normal (ANN) due to the nonlinearity of the system (SAPF + fast nonlinear load variations). This work is an attempt to undertake a systematic study of the problem to equip the (SAPF) with the harmonics identification and DC link voltage control method based on (ANN). The latter has been applied to the (SAPF) with fast nonlinear load variations. The results of computer simulations and experiments are given, which can confirm the feasibility of the proposed active power filter.

Keywords: artificial neural networks (ANN), p-q theory, harmonics, total harmonic distortion

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383 The Prediction of Effective Equation on Drivers' Behavioral Characteristics of Lane Changing

Authors: Khashayar Kazemzadeh, Mohammad Hanif Dasoomi

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According to the increasing volume of traffic, lane changing plays a crucial role in traffic flow. Lane changing in traffic depends on several factors including road geometrical design, speed, drivers’ behavioral characteristics, etc. A great deal of research has been carried out regarding these fields. Despite of the other significant factors, the drivers’ behavioral characteristics of lane changing has been emphasized in this paper. This paper has predicted the effective equation based on personal characteristics of lane changing by regression models.

Keywords: effective equation, lane changing, drivers’ behavioral characteristics, regression models

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382 H∞ Fuzzy Integral Power Control for DFIG Wind Energy System

Authors: N. Chayaopas, W. Assawinchaichote

Abstract:

In order to maximize energy capturing from wind energy, controlling the doubly fed induction generator to have optimal power from the wind, generator speed and output electrical power control in wind energy system have a great importance due to the nonlinear behavior of wind velocities. In this paper purposes the design of a control scheme is developed for power control of wind energy system via H∞ fuzzy integral controller. Firstly, the nonlinear system is represented in term of a TS fuzzy control design via linear matrix inequality approach to find the optimal controller to have an H∞ performance are derived. The proposed control method extract the maximum energy from the wind and overcome the nonlinearity and disturbances problems of wind energy system which give good tracking performance and high efficiency power output of the DFIG.

Keywords: doubly fed induction generator, H-infinity fuzzy integral control, linear matrix inequality, wind energy system

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381 Geometrical Based Unequal Droplet Splitting Using Microfluidic Y-Junction

Authors: Bahram Talebjedi, Amirmohammad Sattari, Ahmed Zoher Sihorwala, Mina Hoorfar

Abstract:

Among different droplet manipulations, controlled droplet-splitting is of great significance due to its ability to increase throughput and operational capability. Furthermore, unequal droplet-splitting can provide greater flexibility and a wider range of dilution factors. In this study, we developed two-dimensional, time-dependent complex fluid dynamics simulations to model droplet formation in a flow focusing device, followed by splitting in a Y-shaped junction with sub-channels of unequal widths. From the results obtained from the numerical study, we correlated the diameters of the droplets in the sub-channels to the Weber number, thereby demarcating the droplet splitting and non-splitting regimes.

Keywords: microfluidics, unequal droplet splitting, two phase flow, flow focusing device

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380 Innovative Dissipative Bracings for Seismic-Resistant Automated Rack Supported Warehouses

Authors: Agnese Natali, Francesco Morelli, Walter Salvatore

Abstract:

Automated Rack Supported Warehouses (ARSWs) are storage buildings whose structure is made of the same racks where goods are placed. The possibility of designing dissipative seismic-resistant ARSWs is investigated. Diagonals are the dissipative elements, arranged as tense-only X bracings. Local optimization is numerically performed to satisfy the over-resistant connection request for the dissipative element, that is hard to be reached due the geometrical limits of the thin-walled diagonals and must be balanced with resistance, the limit of slenderness, and ductility requests.

Keywords: steel racks, thin-walled cold-formed elements, structural optimization, hierarchy rules, dog-bone philosophy

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379 The Aromaticity of P-Substituted O-(N-Dialkyl)Aminomethylphenols

Authors: Khodzhaberdi Allaberdiev

Abstract:

Aromaticity, one of the most important concepts in organic chemistry, has attracted considerable interest from both experimentalists and theoreticians. The geometry optimization of p-substituted o-(N-dialkyl)aminomethylphenols, o-DEAMPH XC₆ H₅CH ₂Y (X=p-OCH₃, CH₃, H, F, Cl, Br, COCH₃, COOCH₃, CHO, CN and NO₂, Y=o-N (C₂H₅)₂, o-DEAMPHs have been performed in the gas phase using the B3LYP/6-311+G(d,p) level. Aromaticities of the considered molecules were investigated using different indices included geometrical (HOMA and Bird), electronic (FLU, PDI and SA) magnetic (NICS(0), NICS(1) and NICS(1)zz indices. The linear dependencies were obtained between some aromaticity indices. The best correlation is observed between the Bird and PDI indices (R² =0.9240). However, not all types of indices or even different indices within the same type correlate well among each other. Surprisingly, for studied molecules in which geometrical and electronic cannot correctly give the aromaticity of ring, the magnetism based index successfully predicts the aromaticity of systems. 1H NMR spectra of compounds were obtained at B3LYP/6–311+G(d,p) level using the GIAO method. Excellent linear correlation (R²= 0.9996) between values the chemical shift of hydrogen atom obtained experimentally of 1H NMR and calculated using B3LYP/6–311+G(d,p) demonstrates a good assignment of the experimental values chemical shift to the calculated structures of o-DEAMPH. It is found that the best linear correlation with the Hammett substituent constants is observed for the NICS(1)zz index in comparison with the other indices: NICS(1)zz =-21.5552+1,1070 σp- (R²=0.9394). The presence intramolecular hydrogen bond in the studied molecules also revealed changes the aromatic character of substituted o-DEAMPHs. The HOMA index predicted for R=NO2 the reduction in the π-electron delocalization of 3.4% was about double that observed for p-nitrophenol. The influence intramolecular H-bonding on aromaticity of benzene ring in the ground state (S0) are described by equations between NICS(1)zz and H-bond energies: experimental, Eₑₓₚ, predicted IR spectroscopical, Eν and topological, EQTAIM with correlation coefficients R² =0.9666, R² =0.9028 and R² =0.8864, respectively. The NICS(1)zz index also correlates with usual descriptors of the hydrogen bond, while the other indices do not give any meaningful results. The influence of the intramolecular H-bonding formation on the aromaticity of some substituted o-DEAMPHs is criteria to consider the multidimensional character of aromaticity. The linear relationships as well as revealed between NICS(1)zz and both pyramidality nitrogen atom, ΣN(C₂H₅)₂ and dihedral angle, φ CAr – CAr -CCH₂ –N, to characterizing out-of-plane properties.These results demonstrated the nonplanar structure of o-DEAMPHs. Finally, when considering dependencies of NICS(1)zz, were excluded data for R=H, because the NICS(1) and NICS(1)zz values are the most negative for unsubstituted DEAMPH, indicating its highest aromaticity; that was not the case for NICS(0) index.

Keywords: aminomethylphenols, DFT, aromaticity, correlations

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378 Classifying and Analysis 8-Bit to 8-Bit S-Boxes Characteristic Using S-Box Evaluation Characteristic

Authors: Muhammad Luqman, Yusuf Kurniawan

Abstract:

S-Boxes is one of the linear parts of the cryptographic algorithm. The existence of S-Box in the cryptographic algorithm is needed to maintain non-linearity of the algorithm. Nowadays, modern cryptographic algorithms use an S-Box as a part of algorithm process. Despite the fact that several cryptographic algorithms today reuse theoretically secure and carefully constructed S-Boxes, there is an evaluation characteristic that can measure security properties of S-Boxes and hence the corresponding primitives. Analysis of an S-Box usually is done using manual mathematics calculation. Several S-Boxes are presented as a Truth Table without any mathematical background algorithm. Then, it’s rather difficult to determine the strength of Truth Table S-Box without a mathematical algorithm. A comprehensive analysis should be applied to the Truth Table S-Box to determine the characteristic. Several important characteristics should be owned by the S-Boxes, they are Nonlinearity, Balancedness, Algebraic degree, LAT, DAT, differential delta uniformity, correlation immunity and global avalanche criterion. Then, a comprehensive tool will be present to automatically calculate the characteristics of S-Boxes and determine the strength of S-Box. Comprehensive analysis is done on a deterministic process to produce a sequence of S-Boxes characteristic and give advice for a better S-Box construction.

Keywords: cryptographic properties, Truth Table S-Boxes, S-Boxes characteristic, deterministic process

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377 Synthesis, Growth, Characterization and Quantum Chemical Investigations of an Organic Single Crystal: 2-Amino- 4-Methylpyridinium Quinoline- 2-Carboxylate

Authors: Anitha Kandasamy, Thirumurugan Ramaiah

Abstract:

Interestingly, organic materials exhibit large optical nonlinearity with quick responses and having the flexibility of molecular tailoring using computational modelling and favourable synthetic methodologies. Pyridine based organic compounds and carboxylic acid contained aromatic compounds play a crucial role in crystal engineering of NCS complexes that displays admirable optical nonlinearity with fast response and favourable physicochemical properties such as low dielectric constant, wide optical transparency and large laser damage threshold value requires for optoelectronics device applications. Based on these facts, it was projected to form an acentric molecule of π-conjugated system interaction with appropriately replaced electron donor and acceptor groups for achieving higher SHG activity in which quinoline-2-carboyxlic acid is chosen as an electron acceptor and capable of acting as an acid as well as a base molecule, while 2-amino-4-methylpyridine is used as an electron donor and previously employed in numerous proton transfer complexes for synthesis of NLO materials for optoelectronic applications. 2-amino-4-mehtylpyridinium quinoline-2-carboxylate molecular complex (2AQ) is having π-donor-acceptor groups in which 2-amino-4-methylpyridine donates one of its electron to quinoline -2-carboxylic acid thereby forming a protonated 2-amino-4-methyl pyridinium moiety and mono ionized quinoline-2-carboxylate moiety which are connected via N-H…O intermolecular interactions with non-centrosymmetric crystal packing arrangement at microscopic scale is accountable to the enhancement of macroscopic second order NLO activity. The 2AQ crystal was successfully grown by a slow evaporation solution growth technique and its structure was determined in orthorhombic crystal system with acentric, P212121, space group. Hirshfeld surface analysis reveals that O…H intermolecular interactions primarily contributed with 31.0 % to the structural stabilization of 2AQ. The molecular structure of title compound has been confirmed by 1H and 13C NMR spectral studies. The vibrational modes of functional groups present in 2AQ have been assigned by using FTIR and FT-Raman spectroscopy. The grown 2AQ crystal exhibits high optical transparency with lower cut-off wavelength (275 nm) within the region of 275-1500 nm. The laser study confirmed that 2AQ exhibits high SHG efficiency of 12.6 times greater than that of KDP. TGA-DTA analysis revealed that 2AQ crystal had a thermal stability of 223 °C. The low dielectric constant and low dielectric loss at higher frequencies confirmed good crystalline nature with fewer defects of grown 2AQ crystal. The grown crystal exhibits soft material and positive photoconduction behaviour. Mulliken atomic distribution and FMOs analysis suggested that the strong intermolecular hydrogen bonding which lead to the enhancement of NLO activity. These properties suggest that 2AQ crystal is a suitable material for optoelectronic and laser frequency conversion applications.

Keywords: crystal growth, NLO activity, proton transfer complex, quantum chemical investigation

Procedia PDF Downloads 101
376 Simulation of I–V Characteristics of Lateral PIN Diode on Polysilicon Films

Authors: Abdelaziz Rabhi, Mohamed Amrani, Abderrazek Ziane, Nabil Belkadi, Abdelraouf Hocini

Abstract:

In this paper, a bedimensional simulation program of the electric characteristics of reverse biased lateral polysilicon PIN diode is presented. In this case we have numerically solved the system of partial differential equations formed by Poisson's equation and both continuity equations that take into account the effect of impact ionization. Therefore we will obtain the current-voltage characteristics (I-V) of the reverse-biased structure which may include the effect of breakdown.The geometrical model assumes that the polysilicon layer is composed by a succession of defined mean grain size crystallites, separated by lateral grain boundaries which are parallel to the metallurgic junction.

Keywords: breakdown, polycrystalline silicon, PIN, grain, impact ionization

Procedia PDF Downloads 345
375 Numerical and Experimental Investigation of Pulse Combustion for Fabric Drying

Authors: Dan Zhao, Y. W. Sheng

Abstract:

The present work considers a convection-driven T-shaped pulse combustion system. Both experimental and numerical investigations are conducted to study the mechanism of pulse combustion and its potential application in fabric drying. To gain insight on flame-acoustic dynamic interaction and pulsating flow characteristics, 3D numerical simulation of the pulse combustion process of a premixed turbulent flame in a Rijke-type combustor is performed. Two parameters are examined: (1) fuel-air ratio, (2) inlet flow velocity. Their effects on triggering pulsating flow and Nusselt number are studied. As each of the parameters is varied, Nusselt number characterizing the heat transfer rate and the heat-driven pulsating flow signature is found to change. The main nonlinearity is identified in the heat fluxes. To validate our numerical findings, a cylindrical T-shaped Rijke-type combustor made of quartz-glass with a Bunsen burner is designed and tested.

Keywords: pulse combustion, fabric drying, heat transfer, combustion oscillations, pressure oscillations

Procedia PDF Downloads 224
374 Modeling Thin Shell Structures by a New Flat Shell Finite Element

Authors: Djamal Hamadi, Ashraf Ayoub, Ounis Abdelhafid, Chebili Rachid

Abstract:

In this paper, a new computationally-efficient rectangular flat shell finite element named 'ACM_RSBEC' is presented. The formulated element is obtained by superposition of a new rectangular membrane element 'RSBEC' based on the strain approach and the well known plate bending element 'ACM'. This element can be used for the analysis of thin shell structures, no matter how the geometrical shape might be. Tests on standard problems have been examined. The convergence of the new formulated element is also compared to other types of quadrilateral shell elements. The presented shell element ‘ACM_RSBEC’ has been demonstrated to be effective and useful in analysing thin shell structures.

Keywords: finite element, flat shell element, strain based approach, static condensation

Procedia PDF Downloads 396
373 Substrate Coupling in Millimeter Wave Frequencies

Authors: Vasileios Gerakis, Fontounasios Christos, Alkis Hatzopoulos

Abstract:

A study of the impact of metal guard rings on the coupling between two square metal pads is presented. The structure is designed over a bulk silicon substrate with epitaxial layer, so the coupling through the substrate is also involved. A lightly doped profile is adopted and is simulated by means of an electromagnetic simulator for various pad distances and different metal layers, assuming a 65 nm bulk CMOS technology. The impact of various guard ring design (geometrical) parameters is examined. Furthermore, the increase of isolation (resulting in reduction of the noise coupling) between the pads by cutting the ring, or by using multiple rings, is also analyzed. S parameters are used to compare the various structures.

Keywords: guard rings, metal pad coupling, millimeter wave frequencies, substrate noise,

Procedia PDF Downloads 516