Search results for: MonteCarlo simulations

Authors: Tetsiki Taniguchi, Yoshio Karasawa

Abstract:

This paper describes a subarray based low computational design method of multiuser massive multiple input multiple output (MIMO) system. In our previous works, use of large array is assumed only in transmitter, but this study considers the case both of transmitter and receiver sides are equipped with large array antennas. For this aim, receive arrays are also divided into several subarrays, and the former proposed method is modified for the synthesis of a large array from subarrays in both ends. Through computer simulations, it is verified that the performance of the proposed method is degraded compared with the original approach, but it can achieve the improvement in the aspect of complexity, namely, significant reduction of the computational load to the practical level.

Keywords: large array, massive multiple input multiple output (MIMO), multiuser, singular value decomposition, subarray, zero forcing

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Authors: Tamou Nasser, Ahmed Essadki, Ali Boukhriss

Abstract:

This paper presents the control of doubly fed induction generator (DFIG) used in the wind energy conversion systems. Maximum power point tracking (MPPT) strategy is used to extract the maximum of power during the conversion and taking care that the system does not exceed the operating limits. This is done by acting on the pitch angle to control the orientation of the turbine's blades. Having regard to its robustness and performance, active disturbance rejection control (ADRC) based on the extended state observer (ESO) is employed to achieve the control of both rotor and grid side converters. Simulations are carried out using matlab simulink.

Keywords: active disturbance rejection control, extended state observer, doubly fed induction generator, maximum power point tracking

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Authors: Tamou Nasser, Ahmed Essadki, Ali Boukhriss

Abstract:

This paper presents the control of doubly fed induction generator (DFIG) used in the wind energy conversion systems. Maximum power point tracking (MPPT) strategy is used to extract the maximum of power during the conversion and taking care that the system does not exceed the operating limits. This is done by acting on the pitch angle to control the orientation of the turbine's blades. Having regard to its robustness and performance, active disturbance rejection control (ADRC) based on the extended state observer (ESO) is employed to achieve the control of both rotor and grid side converters. Simulations are carried out using matlab simulink.

Keywords: active disturbance rejection control, extended state observer, doubly fed induction generator, maximum power point tracking

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Authors: Yeongyu Choi, Ju H. Park, S. M. Lee, Ho-Youl Jung

Abstract:

In this paper, an improved method for estimating fundamental matrix is proposed. The method is applied effectively to monocular camera based moving object detection. The method consists of corner points detection, moving object’s motion estimation and fundamental matrix calculation. The corner points are obtained by using Harris corner detector, motions of moving objects is calculated from pyramidal Lucas-Kanade optical flow algorithm. Through epipolar geometry analysis using RANSAC, the fundamental matrix is calculated. In this method, we have improved the performances of moving object detection by using two threshold values that determine inlier or outlier. Through the simulations, we compare the performances with varying the two threshold values.

Keywords: corner detection, optical flow, epipolar geometry, RANSAC

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Authors: Brando Vagenende, Marie-Anne Guerry

Abstract:

For stochastic matrices of any order, the geometric description of the convex set of eigenvalues is completely known. The purpose of this study is to investigate the subset of the monotone matrices. This type of matrix appears in contexts such as intergenerational occupational mobility, equal-input modeling, and credit ratings-based systems. Monotone matrices are stochastic matrices in which each row stochastically dominates the previous row. The monotonicity property of a stochastic matrix can be expressed by a nonnegative lower-order matrix with the same eigenvalues as the original monotone matrix (except for the eigenvalue 1). Specifically, the aim of this research is to focus on the properties of eigenvalues of monotone matrices. For those matrices up to order 3, there already exists a complete description of the convex set of eigenvalues. For monotone matrices of order at least 4, this study gives, through simulations, more insight into the geometric description of their eigenvalues. Furthermore, this research treats in a geometric and algebraic way the properties of eigenvalues of monotone matrices of order at least 4.

Keywords: eigenvalues of matrices, finite Markov chains, monotone matrices, nonnegative matrices, stochastic matrices

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Authors: Mohammadhosein Hasanbeig, Lacra Pavel

Abstract:

In this paper, we study a distributed control algorithm for the problem of unknown area coverage by a network of robots. The coverage objective is to locate a set of targets in the area and to minimize the robots’ energy consumption. The robots have no prior knowledge about the location and also about the number of the targets in the area. One efficient approach that can be used to relax the robots’ lack of knowledge is to incorporate an auxiliary learning algorithm into the control scheme. A learning algorithm actually allows the robots to explore and study the unknown environment and to eventually overcome their lack of knowledge. The control algorithm itself is modeled based on game theory where the network of the robots use their collective information to play a non-cooperative potential game. The algorithm is tested via simulations to verify its performance and adaptability.

Keywords: distributed control, game theory, multi-agent learning, reinforcement learning

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Authors: Mirza Popovac

Abstract:

This paper investigates the application of the vortex tubes towards increasing the efficiency of high temperature heat pumps based on natural refrigerants, by recovering a part of the expansion work within the refrigerant cycle. To this purpose the 3D Navier-Stokes solver is used to perform a set of numerical simulations, investigating the vortex tube performance. Firstly, the fluid flow and heat transfer characteristics are analyzed for standard configurations of vortex tubes, and the obtained results are validated against the experimental and numerical data available in literature. Subsequently, different geometry specifications are analyzed, as well as the interplay between relevant heat pump operating conditions and the properties of natural refrigerants. Finally, the characteristic curve of performance will be derived for investigated vortex tubes specifications when used within high temperature heat pumps.

Keywords: heat pump, vortex tube, CFD, natural refrigerant

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Authors: Umesh Kumar, Arun Kumar Shukla, B. V. V. Ravindra Babu

Abstract:

The paper presents a compact tri band Curved U-Slot patch antenna with improved bandwidth and isolation characteristics. The proposed antenna excited by coaxial feed resonates at tri band of 2.8 GHz, 4.1 GHz and 5.7 GHz for VSWR ≤ 1.5 with an improved bandwidth of 99.7% and also for getting high gain antenna of 11.31 dB. A 2×2 MIMO is developed using the proposed antenna giving an excellent isolation of 28 dB between the two antennas. The simulation results of return loss, Mutual Coupling, Gain, VSWR, Surface Current Distribution and Electrical Distribution are presented. By keeping the substrate thickness constant over various dielectric constants, simulations were carried out using MATLAB® and HFSS (High Frequency Structure Simulator) software.

Keywords: performance analysis, curved U-slot patch, antenna with enhanced bandwidth, isolation for mimo systems

Procedia PDF Downloads 563

Authors: Tamou Nasser, Ahmed Essadki, Ali Boukhriss

Abstract:

This paper presents the control of doubly fed induction generator (DFIG) used in the wind energy conversion systems. Maximum power point tracking (MPPT) strategy is used to extract the maximum of power during the conversion and taking care that the system does not exceed the operating limits. This is done by acting on the pitch angle to control the orientation of the turbine's blades. Having regard to its robustness and performance, active disturbance rejection control (ADRC) based on the extended state observer (ESO) is employed to achieve the control of both rotor and grid side converters. Simulations are carried out using MATLAB simulink.

Keywords: active disturbance rejection control, extended state observer, doubly fed induction generator, maximum power point tracking

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Authors: Sina Mahdavi, Faeze Noruzpur, Aysuda Noruzpur

Abstract:

This paper proposes a high linear, low power and wideband Variable Gain Amplifier (VGA) with a direct current (DC) gain range of -10.2dB to 60.7dB. By applying the proposed idea to the folded cascade amplifier, it is possible to achieve a 71dB DC gain, 35MHz (-3dB) bandwidth, accompanied by high linearity and low sensitivity as well. It is noteworthy that the proposed idea can be able to apply on every differential amplifier, too. Moreover, the total power consumption and unity gain bandwidth of the proposed VGA is 1.41mW with a power supply of 1.8 volts and 4.37GHz, respectively, and 0.8pF capacitor load is applied at the output nodes of the amplifier. Furthermore, the proposed structure is simulated in whole process corners and different temperatures in the region of -60 to +90 ºC. Simulations are performed for all corner conditions by HSPICE using the BSIM3 model of the 180nm CMOS technology and MATLAB software.

Keywords: variable gain amplifier, low power, low voltage, folded cascade, amplifier, DC gain

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Authors: Isik Cetintav, Cenk Misirli, Yilmaz Can, Damla Gunel

Abstract:

This work investigates experimental and numerical analysis of open die forging of multimetallic materials. Multimetallic material production has recently become an interesting research field. The mechanical properties of the materials to be used for the formation of multimetallic materials and the mechanical properties of the multimetallic materials produced will be compared and the material flows of the use of different lubricants will be examined. Furthermore, in this work, the mechanical properties of multimetallic metallic materials produced using different materials will be examined by using different lubricants. The advantages and disadvantages of different lubricants will be approached with the bi-metallic material to be produced. Cylindrical specimens consisting of two different materials were used in the experiments. Specimens were prepared as aluminum sleeve and copper core and upset at different reduction. This metal combination present a material model of which chemical composition is different. ABAQUS software was used for the simulations. Simulation and experimental results have also shown reasonable agreement.

Keywords: multimetallic, forging, experimental, numerical

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Authors: Anh Duc Dang, Joachim Horn

Abstract:

This paper presents a new approach to control robots, which can quickly find their swarm while tracking a moving target through the obstacles of the environment. In this approach, an artificial potential field is generated between each free-robot and the virtual attractive point of the swarm. This artificial potential field will lead free-robots to their swarm. The swarm-finding of these free-robots dose not influence the general motion of their swarm and nor other robots. When one singular robot approaches the swarm then its swarm-search will finish, and it will further participate with its swarm to reach the position of the target. The connections between member-robots with their neighbours are controlled by the artificial attractive/repulsive force field between them to avoid collisions and keep the constant distances between them in ordered formation. The effectiveness of the proposed approach has been verified in simulations.

Keywords: formation control, potential field method, obstacle avoidance, swarm intelligence, multi-agent systems

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Authors: M. Capocelli, A. Caputo, M. De Falco, D. Mazzei, V. Piemonte

Abstract:

This paper presents the experimental results and the related modeling of a thermal energy storage (TES) facility, ideated and realized by ENEA and realizing the thermocline with an innovative geometry. Firstly, the thermal energy exchange model of an equivalent shell & tube heat exchanger is described and tested to reproduce the performance of the spiral exchanger installed in the TES. Through the regression of the experimental data, a first-order thermocline model was also validated to provide an analytical function of the thermocline, useful for the performance evaluation and the comparison with other systems and implementation in simulations of integrated systems (e.g. power plants). The experimental data obtained from the plant start-up and the short-cut modeling of the system can be useful for the process analysis, for the scale-up of the thermal storage system and to investigate the feasibility of its implementation in actual case-studies.

Keywords: CSP plants, thermal energy storage, thermocline, mathematical modelling, experimental data

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Authors: Mamoun S. Ideis, Zein Salah

Abstract:

Virtual Rehabilitation (VR) refers to using Virtual Reality’s hardware and simulations as means of exercising tools to rehabilitate patients in need. These patients will undergo their treatment exercises while playing different computer games, which helps achieve greater motivation for patients undergoing their therapeutic exercises. Virtual Rehabilitation systems adopt computer games as part of the treatment therapy. In this paper, we present a preliminary proposal to using adaptive computer games in Virtual Rehabilitation therapy. We also present some tips in designing those adaptive computer games by using different machine learning algorithms in order to create a personalized experience for each patient, which in turn, increases the potential benefits of the treatment that each patient receives. Furthermore, we propose a method of comparing the results of treatment using the adaptive computer games with the results of using static and classical computer games.

Keywords: virtual rehabilitation, physiotherapy, adaptive computer games, post-stroke, game design

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Authors: Sanjay Patil, Shakil A. Kagzi, Harit K. Raval

Abstract:

Tailor Welded Blanks (TWB) are utilized in automotive industries widely because of their advantage of weight and cost reduction and maintaining required strength and structural integrity. TWB consist of two or more sheet having dissimilar or similar material and thickness; welded together to form a single sheet before forming it to desired shape. Forming of the tailor welded blank is affected by ratio of thickness of blanks, ratio of their strength, etc. mainly due to in-homogeneity of material. In the present work the relative effect of these parameters on weld line movement is studied during deep drawing of TWB using FE simulation using HYPERWORKS. The simulation is validated with results from the literature. Simulations were than performed based on Taguchi orthogonal array followed by the ANOVA analysis to determine the significance of these parameters on forming of TWB.

Keywords: ANOVA, deep drawing, Tailor Welded Blank (TWB), weld line movement

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Authors: Nguyen Van Que, Nguyen Huy The

Abstract:

This paper presents combined natural and forced convection of humid air flow. The film condensation of water vapour on a cold floor was investigated using ANSYS Fluent software. User-defined Functions(UDFs) were developed and added to address the issue of film condensation at the surface of the floor. Those UDFs were validated by analytical results on a flat plate. The film condensation model based on mass transfer was used to solve phase change. On the floor, condensation rate was obtained by mass fraction change near the floor. The study investigated effects of inlet velocity, inlet relative humidity and cold floor temperature on the condensation rate. The simulations were done in both 2D and 3D models to show the difference and need for 3D modeling of condensation.

Keywords: heat and mass transfer, convection, condensation, relative humidity, user-defined functions

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Authors: Loubna Tani, Nabih Elouzzani

Abstract:

Crosstalk among interconnects and printed-circuit board (PCB) traces is a major limiting factor of signal quality in high-speed digital and communication equipments especially when fast data buses are involved. Such a bus is considered as a planar multiconductor transmission line. This paper will demonstrate how the finite difference time domain (FDTD) method provides an exact solution of the transmission-line equations to analyze the near end and the far end crosstalk. In addition, this study makes it possible to analyze the rise time effect on the near and far end voltages of the victim conductor. The paper also discusses a statistical analysis, based upon a set of several simulations. Such analysis leads to a better understanding of the phenomenon and yields useful information.

Keywords: multiconductor transmission line, crosstalk, finite difference time domain (FDTD), printed-circuit board (PCB), rise time, statistical analysis

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Authors: Daniel Tscharnuter, Eliza Truszkiewicz, Gerald Pinter

Abstract:

High-quality surfaces of plastic parts can be achieved in a very cost-effective manner using in-mold processes, where e.g. scratch resistant or high gloss polymer films are pre-formed and subsequently receive their support structure by injection molding. The pre-forming may be done by high-pressure forming. In this process, a polymer sheet is heated and subsequently formed into the mold by pressurized air. Due to the heat transfer to the cooled mold the polymer temperature drops below its glass transition temperature. This ensures that the deformed microstructure is retained after depressurizing, giving the sheet its final formed shape. The development of a forming process relies heavily on the experience of engineers and trial-and-error procedures. Repeated mold design and testing cycles are however both time- and cost-intensive. It is, therefore, desirable to study the process using reliable computer simulations. Through simulations, the construction of the mold and the effect of various process parameters, e.g. temperature levels, non-uniform heating or timing and magnitude of pressure, on the deformation of the polymer sheet can be analyzed. Detailed knowledge of the deformation is particularly important in the forming of polymer films with integrated electro-optical functions. Care must be taken in the placement of devices, sensors and electrical and optical paths, which are far more sensitive to deformation than the polymers. Reliable numerical prediction of the deformation of the polymer sheets requires sophisticated material models. Polymer films are often either transversely isotropic or orthotropic due to molecular orientations induced during manufacturing. The anisotropic behavior affects the resulting strain field in the deformed film. For example, parts of the same shape but different strain fields may be created by varying the orientation of the film with respect to the mold. The numerical simulation of the high-pressure forming of such films thus requires material models that can capture the nonlinear anisotropic mechanical behavior. There are numerous commercial polymer grades for the engineers to choose from when developing a new part. The effort required for comprehensive material characterization may be prohibitive, especially when several materials are candidates for a specific application. We, therefore, propose a class of models for compressible hyperelasticity, which may be determined from basic experimental data and which can capture key features of the mechanical response. Invariant-based hyperelastic models with a reduced number of invariants are formulated in a semi-numerical way, such that the models are determined from a single uniaxial tensile tests for isotropic materials, or two tensile tests in the principal directions for transversely isotropic or orthotropic materials. The simulation of the high pressure forming of an orthotropic polymer film is finally done using an orthotropic formulation of the hyperelastic model.

Keywords: hyperelastic, anisotropic, polymer film, thermoforming

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Authors: P. Brinks, O. Kornadt, R. Oly

Abstract:

This research focuses on the optimization of glazed surfaces and the assessment of possible solar gains in industrial buildings. Existing window rating methods for single windows were evaluated and a new method for a simple analysis of energy gains and losses by single windows was introduced. Furthermore extensive transient building simulations were carried out to appraise the performance of low cost polycarbonate multi-cell sheets in interaction with typical buildings for industrial applications. Mainly, energy-saving potential was determined by optimizing the orientation and area of such glazing systems in dependency on their thermal qualities. Moreover the impact on critical aspects such as summer overheating and daylight illumination was considered to ensure the user comfort and avoid additional energy demand for lighting or cooling. Hereby the simulated heating demand could be reduced by up to 1/3 compared to traditional architecture of industrial halls using mainly skylights.

Keywords: solar architecture, Passive Solar Building Design, glazing, Low-Energy Buildings, industrial buildings

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Authors: Abdel-Razzaq Mugdadi, Ruqayyah Sani

Abstract:

The Kernel Distribution Function Estimator (KDFE) method is the most popular method for nonparametric estimation of the cumulative distribution function. The kernel and the bandwidth are the most important components of this estimator. In this investigation, we replace the kernel in the KDFE with a linear combination of kernels to obtain a new estimator based on the linear combination of kernels, the mean integrated squared error (MISE), asymptotic mean integrated squared error (AMISE) and the asymptotically optimal bandwidth for the new estimator are derived. We propose a new data-based method to select the bandwidth for the new estimator. The new technique is based on the Plug-in technique in density estimation. We evaluate the new estimator and the new technique using simulations and real-life data.

Keywords: estimation, bandwidth, mean square error, cumulative distribution function

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Authors: Imane Khalil, Quinn Pratt

Abstract:

In a nuclear reactor, an array of fuel rods containing stacked uranium dioxide pellets clad with zircalloy is the heat source for a thermodynamic cycle of energy conversion from heat to electricity. After fuel is used in a nuclear reactor, the assemblies are stored underwater in a spent nuclear fuel pool at the nuclear power plant while heat generation and radioactive decay rates decrease before it is placed in packages for dry storage or transportation. A computational model of a Boiling Water Reactor spent fuel assembly is modeled using FLUENT, the computational fluid dynamics package. Heat transfer simulations were performed on the two-dimensional 9x9 spent fuel assembly to predict the maximum cladding temperature for different input to the FLUENT model. Uncertainty quantification is used to predict the heat transfer and the maximum temperature profile inside the assembly.

Keywords: spent nuclear fuel, conduction, heat transfer, uncertainty quantification

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Authors: J. M. Lee, W. R. Noh, C. Y. Kim, M. G. Lee

Abstract:

Delamination of oxide scale has been often discovered at the interface between Fe carbon steel and oxide scale. Among several mechanisms of this delamination behavior, the normal tensile stress to the substrate-scale interface has been described as one of the main factors. The stress distribution at the interface is also known to be affected by thermal expansion mismatch between substrate and oxide scale, creep behavior during cooling and the geometry of the interface. In this study, stress states near the interface in a Fe carbon steel with oxide scale have been investigated using FE simulations. The thermal and mechanical properties of oxide scales are indicated in literature and Fe carbon steel is measured using tensile testing machine. In particular, the normal and shear stress components developed at the interface during bending are investigated. Preliminary numerical sensitivity analyses are provided to explain the effects of the interface geometry and oxide thickness on the delamination behavior.

Keywords: oxide scale, delamination, Fe analysis, roughness, thickness, stress state

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Authors: Bangwon Seo

Abstract:

In this paper, we consider multicast device-to-device (D2D) direct communication systems in cellular networks. In multicast D2D communications, nearby mobile devices exchanges, their data directly without going through a base station and a D2D transmitter send its data to multiple D2D receivers that compose of D2D multicast group. We consider wiretap channel where there is an eavesdropper that attempts to overhear the transmitted data of the D2D transmitter. In this paper, we propose a secure transmission scheme in D2D multicast communications in cellular networks. In order to prevent the eavesdropper from overhearing the transmitted data of the D2D transmitter, a precoding vector is employed at the D2D transmitter in the proposed scheme. We perform computer simulations to evaluate the performance of the proposed scheme. Through the simulation, we show that the secrecy rate performance can be improved by selecting an appropriate precoding vector.

Keywords: device-to-device communications, wiretap channel, secure transmission, precoding

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Authors: M. Yousefi, N. Nasirzadeh

Abstract:

In this paper, behavior of an oscillator under injection of another signal has been investigated. Also, variation of output signal amplitude versus injected signal phase variation, the effect of varying the amplitude of injected signal and quality factor of the oscillator has been investigated. The results show that the locking time depends on phase and the best locking time happens at 180-degrees phase. Also, the effect of injected lock has been discussed. Simulations show that the locking time decreases with signal injection to bulk. Locking time has been investigated versus various phase differences. The effect of phase and amplitude changes on locking time of a typical LC oscillator in 180 nm technology has been investigated.

Keywords: analysis, oscillator, injection-lock oscillator, phase modulation

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Authors: M. Adjabi, A. Amiar, P. O. Logerais

Abstract:

Flexible Alternative Current Systems Transmission (FACTS) are used since nearly four decades and present very good dynamic performances. The purpose of this work is to study the behavior of a system where Static Compensator (STATCOM) is located at the midpoint of a transmission line which is the idea of the project functioning in disturbed modes with various levels of load. The studied model and starting from the analysis of various alternatives will lead to the checking of the aptitude of the STATCOM to maintain the voltage plan and to improve the power flow in electro-energetic system which is the east region of Algerian 400 kV transmission network. The steady state performance of STATCOM’s controller is analyzed through computer simulations with Matlab/Simulink program. The simulation results have demonstrated that STATCOM can be effectively applied in power transmission systems to solve the problems of poor dynamic performance and voltage regulation.

Keywords: STATCOM, reactive power, power flow, voltage plan, Algerian network

Procedia PDF Downloads 555

Authors: M. Adjabi, A. Amiar, P. O. Logerais

Abstract:

Flexible Alternative Current Systems Transmission (FACTS) are used since nearly four decades and present very good dynamic performances. The purpose of this work is to study the behavior of a system where Static Compensator (STATCOM) is located at the midpoint of a transmission line which is the idea of the project functioning in disturbed modes with various levels of load. The studied model and starting from the analysis of various alternatives will lead to the checking of the aptitude of the STATCOM to maintain the voltage plan and to improve the power flow in electro-energetic system which is the east region of Algerian 400 kV transmission network. The steady state performance of STATCOM’s controller is analyzed through computer simulations with Matlab/Simulink program. The simulation results have demonstrated that STATCOM can be effectively applied in power transmission systems to solve the problems of poor dynamic performance and voltage regulation.

Keywords: STATCOM, reactive power, power flow, voltage plan, Algerian network

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Authors: Adel Sabry Eesa, Adnan Mohsin Abdulazeez Brifcani, Zeynep Orman

Abstract:

This paper presents a new meta-heuristic bio-inspired optimization algorithm which is called Cuttlefish Algorithm (CFA). The algorithm mimics the mechanism of color changing behavior of the cuttlefish to solve numerical global optimization problems. The colors and patterns of the cuttlefish are produced by reflected light from three different layers of cells. The proposed algorithm considers mainly two processes: reflection and visibility. Reflection process simulates light reflection mechanism used by these layers, while visibility process simulates visibility of matching patterns of the cuttlefish. To show the effectiveness of the algorithm, it is tested with some other popular bio-inspired optimization algorithms such as Genetic Algorithms (GA), Particle Swarm Optimization (PSO) and Bees Algorithm (BA) that have been previously proposed in the literature. Simulations and obtained results indicate that the proposed CFA is superior when compared with these algorithms.

Keywords: Cuttlefish Algorithm, bio-inspired algorithms, optimization, global optimization problems

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Authors: Asad Naeem, Jinkoo Kim

Abstract:

This research proposes a self-centering passive damping system consisting of a spring viscous damper linked with a preloaded tendon. The seismic performance of the spring viscous damper is evaluated by pseudo-dynamic tests, and the results are used for the formulation of an analytical model of the damper in the structural analysis program. The shaking table tests of a two-story steel frame installed with the proposed damping system are carried out using five different earthquake records. The results from the shaking table tests are verified by numerical simulation of the retrofitted structure. The results obtained from experiments and numerical simulations demonstrate that the proposed damping system with self-centering capability is effective in reducing earthquake-induced displacement and member forces.

Keywords: seismic retrofit, spring viscous damper, shaking table test, earthquake resistant structures

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Authors: Aliyu Adamu, Fahrul Huyop, Roswanira Abdul Wahab, Mohd Shahir Shamsir

Abstract:

Halogenated organic compounds occur in huge amount in biosphere. This is attributable to the diverse use of halogen-based compounds in the synthesis of various industrially important products. Halogenated compound is toxic and may persist in the environment, thereby causing serious health and environmental pollution problems. L-2-haloacid dehalogenases (EC 3.8.1.2) catalyse the specific cleavage of carbon-halogen bond in L-isomers of halogenated compounds, which consequently reverse the effects of environmental halogen-associated pollution. To enhance the efficiency and utility of these enzymes, this study investigates the catalytic amino acid residues and the molecular functional mechanism of DehL, by classical molecular dynamic simulations, MM-PBSA and ab initio fragments molecular orbital (FMO) calculations. The results of the study will serve as the basis for the molecular engineering of the enzyme.

Keywords: DehL, Functional mechanism, Catalytic residues, L-2-haloacid dehalogenase

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Authors: Pardeep Bishnoi, Mayank Srivastava, Mrityunjay Kumar Sinha

Abstract:

This article represents the numerical investigation of the pressure and velocity field variation of the dynamics of pendant drop formation through a capillary tube. Numerical simulations are executed using volume of fluid (VOF) method in the computational fluid dynamics (CFD). In this problem, Non Newtonian fluid is considered as dispersed fluid whereas air is considered as a continuous fluid. Pressure contours at various time steps expose that pressure varies nearly hydrostatically at each step of the dynamics of drop formation. A result also shows the pressure variation of the liquid droplet during free fall in the computational domain. The evacuation of the fluid from the necking region is also shown by the contour of the velocity field. The role of surface tension in the Pressure contour of the dynamics of drop formation is also studied.

Keywords: pressure contour, surface tension, volume of fluid, velocity field

Procedia PDF Downloads 384