Search results for: Simulation and analysis

Authors: B. Ramgopal Reddy, K. Ramji, B. Satyanarayana

Abstract:

In this paper, free vibration analysis of carbon nanotube (CNT) reinforced laminated composite panels is presented. Three types of panels such as flat, concave and convex are considered for study. Numerical simulation is carried out using commercially available finite element analysis software ANSYS. Numerical homogenization is employed to calculate the effective elastic properties of randomly distributed carbon nanotube reinforced composites. To verify the accuracy of the finite element method, comparisons are made with existing results available in the literature for conventional laminated composite panels and good agreements are obtained. The results of the CNT reinforced composite materials are compared with conventional composite materials under different boundary conditions.

Keywords: CNT Reinforced Composite Panels, Effective ElasticProperties, Finite Element Method, Natural Frequency.

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Authors: Yoshiaki Shikata, Wataru Katagiri, Yoshitaka Takahashi

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We propose a novel prioritized limited processor-sharing (PS) rule and a simulation algorithm for the performance evaluation of this rule. The performance measures of practical interest are evaluated using this algorithm. Suppose that there are two classes and that an arriving (class-1 or class-2) request encounters n1 class-1 and n2 class-2 requests (including the arriving one) in a single-server system. According to the proposed rule, class-1 requests individually and simultaneously receive m / (m * n1+ n2) of the service-facility capacity, whereas class-2 requests receive 1 / (m *n1 + n2) of it, if m * n1 + n2 ≤ C. Otherwise (m * n1 + n2 > C), the arriving request will be queued in the corresponding class waiting room or rejected. Here, m (
1) denotes the priority ratio, and C ( ∞), the service-facility capacity. In this rule, when a request arrives at [or departs from] the system, the extension [shortening] of the remaining sojourn time of each request receiving service can be calculated using the number of requests of each class and the priority ratio. Employing a simulation program to execute these events and calculations enables us to analyze the performance of the proposed prioritized limited PS rule, which is realistic in a time-sharing system (TSS) with a sufficiently small time slot. Moreover, this simulation algorithm is expanded for the evaluation of the prioritized limited PS system with N
3 priority classes.

Keywords: PS rule, priority ratio, service-facility capacity, simulation algorithm, sojourn time, performance measures

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Authors: Ahmad M. Sarhan, Omar I. Al Helalat

Abstract:

In this paper, an Arabic letter recognition system based on Artificial Neural Networks (ANNs) and statistical analysis for feature extraction is presented. The ANN is trained using the Least Mean Squares (LMS) algorithm. In the proposed system, each typed Arabic letter is represented by a matrix of binary numbers that are used as input to a simple feature extraction system whose output, in addition to the input matrix, are fed to an ANN. Simulation results are provided and show that the proposed system always produces a lower Mean Squared Error (MSE) and higher success rates than the current ANN solutions.

Keywords: ANN, Backpropagation, Gaussian, LMS, MSE, Neuron, standard deviation, Widrow-Hoff rule.

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Authors: Maziar Ahmad Sharbafi, Caro Lucas, Abolfazel Toroghi Haghighat, Omid AmirGhiasvand, Omid Aghazade

Abstract:

RoboCup Rescue simulation as a large-scale Multi agent system (MAS) is one of the challenging environments for keeping coordination between agents to achieve the objectives despite sensing and communication limitations. The dynamicity of the environment and intensive dependency between actions of different kinds of agents make the problem more complex. This point encouraged us to use learning-based methods to adapt our decision making to different situations. Our approach is utilizing reinforcement leaning. Using learning in rescue simulation is one of the current ways which has been the subject of several researches in recent years. In this paper we present an innovative learning method implemented for Police Force (PF) Agent. This method can cope with the main difficulties that exist in other learning approaches. Different methods used in the literature have been examined. Their drawbacks and possible improvements have led us to the method proposed in this paper which is fast and accurate. The Brain Emotional Learning Based Intelligent Controller (BELBIC) is our solution for learning in this environment. BELBIC is a physiologically motivated approach based on a computational model of amygdale and limbic system. The paper presents the results obtained by the proposed approach, showing the power of BELBIC as a decision making tool in complex and dynamic situation.

Keywords: Emotional learning, rescue, simulation environment, RoboCup, multi-agent system.

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Authors: Hee Suk Seo, Tae Kyung Kim

Abstract:

As network components grow larger and more diverse, and as securing them on a host-by-host basis grow more difficult, more sites are turning to a network security model. We concentrate on controlling network access to various hosts and the services they offer, rather than on securing them one by one with a network security model. We present how the policy rules from vulnerabilities stored in SVDB (Simulation based Vulnerability Data Base) are inducted, and how to be used in PBN. In the network security environment, each simulation model is hierarchically designed by DEVS (Discrete EVent system Specification) formalism.

Keywords: SVDB, PBN, DEVS, Network security.

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Authors: Narendra Kumar, Sanjiv Kumar

Abstract:

Static VAR System (SVS) is a kind of FACTS device which is used in power system primarily for the purpose of voltage and reactive power control. In this paper presents a systematic approach for designing SVS supplementary controller, which is used to improve the damping of power system oscillation. The combined bus voltage and line current (CBVLC) supplementary controller has been developed and incorporated in the SVS control system located at the middle of the series compensated long transmission line. Damping of torsional stresses due to subsynchronous resonance resulting from series capacitive compensation using CBVLC is investigated in this paper. Simulation results are carried out with MATLAB/Simulink on the IEEE first benchmark model (FBM). The simulation results show that the oscillations are satisfactorily damped out by the SVS supplementary controller. Time domain simulation is performed on power system and the results demonstrate the effectiveness of the proposed controller.

Keywords: Bus voltage and line current (BVLC), series compensation, sub synchronous resonance (SSR), supplementary controller, eigenvalue investigation.

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Authors: Shan-Jen Cheng, Jr-Ming Miao, Sheng-Ju Wu

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The purpose of this paper is applied Taguchi method on the optimization for PEMFC performance, and a representative Computational Fluid Dynamics (CFD) model is selectively performed for statistical analysis. The studied factors in this paper are pressure of fuel cell, operating temperature, the relative humidity of anode and cathode, porosity of gas diffusion electrode (GDE) and conductivity of GDE. The optimal combination for maximum power density is gained by using a three-level statistical method. The results confirmed that the robustness of the optimum design parameters influencing the performance of fuel cell are founded by pressure of fuel cell, 3atm; operating temperature, 353K; the relative humidity of anode, 50%; conductivity of GDE, 1000 S/m, but the relative humidity of cathode and porosity of GDE are pooled as error due to a small sum of squares. The present simulation results give designers the ideas ratify the effectiveness of the proposed robust design methodology for the performance of fuel cell.

Keywords: PEMFC, numerical simulation, optimization, Taguchi method.

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Authors: Yudha Prambudia, Masaru Nakano

Abstract:

Due to rapid economic growth, Indonesia's energy needs is rapidly increasing. Indonesia-s primary energy consumption has doubled in 2007 compared to 2003. Indonesia's status change from oil net-exporter to oil net-importer country recently has increased Indonesia's concern over energy security. Due to this, oil import becomes center of attention in the dynamics of Indonesia's energy security. Conventional studies addressing Indonesia's energy security have focused on energy production sector. This study explores Indonesia-s energy security considering energy import sector by modeling and simulating Indonesia-s energy-related policies using system dynamics. Simulation result of Indonesia's energy security in 2020 in Business-As-Usual scenario shows that in term of supply demand ratio, energy security will be very high, but also it poses high dependence on energy import. The Alternative scenario result shows lower energy security in term of supply demand ratio and much lower dependence on energy import. It is also found that the Alternative scenario produce lower GDP growth.

Keywords: Energy security, modeling, simulation, system dynamics.

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Authors: Vladimir S. Timofeev

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In this article the problem of distributional moments estimation is considered. The new approach of moments estimation based on usage of the characteristic function is proposed. By statistical simulation technique author shows that new approach has some robust properties. For calculation of the derivatives of characteristic function there is used numerical differentiation. Obtained results confirmed that author’s idea has a certain working efficiency and it can be recommended for any statistical applications.

Keywords: Characteristic function, distributional moments, robustness, outlier, statistical estimation problem, statistical simulation.

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Authors: Xie Kai, Laith K. Abbas, Chen Dongyang, Yang Fufeng, Rui Xiaoting

Abstract:

Effect of plunging motion on the pitch oscillating NACA0012 airfoil is investigated using computational fluid dynamics (CFD). A simulation model based on overset grid technology and k - ω shear stress transport (SST) turbulence model is established, and the numerical simulation results are compared with available experimental data and other simulations. Two cases of phase angle φ = 0, μ which represents the phase difference between the pitching and plunging motions of an airfoil are performed. Airfoil vortex generation, moving, and shedding are discussed in detail. Good agreements have been achieved with the available literature. The upward plunging motion made the equivalent angle of attack less than the actual one during pitching analysis. It is observed that the formation of the stall vortex is suppressed, resulting in a decrease in the lift coefficient and a delay of the stall angle. However, the downward plunging motion made the equivalent angle of attack higher the actual one.

Keywords: Dynamic stall, pitching-plunging, computational fluid dynamics, helicopter blade rotor, airfoil.

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Authors: Attapong T., Hong-Ming Ku, Nakarin M., Narin L., Alisa L, Jirut W.

Abstract:

The quantum mechanics simulation was applied for calculating the interaction force between 2 molecules based on atomic level. For the simple extractive distillation system, it is ternary components consisting of 2 closed boiling point components (A,lower boiling point and B, higher boiling point) and solvent (S). The quantum mechanics simulation was used to calculate the intermolecular force (interaction force) between the closed boiling point components and solvents consisting of intermolecular between A-S and B-S. The requirement of the promising solvent for extractive distillation is that solvent (S) has to form stronger intermolecular force with only one component than the other component (A or B). In this study, the systems of aromatic-aromatic, aromatic-cycloparaffin, and paraffindiolefin systems were selected as the demonstration for solvent selection. This study defined new term using for screening the solvents called relative interaction force which is calculated from the quantum mechanics simulation. The results showed that relative interaction force gave the good agreement with the literature data (relative volatilities from the experiment). The reasons are discussed. Finally, this study suggests that quantum mechanics results can improve the relative volatility estimation for screening the solvents leading to reduce time and money consuming

Keywords: Extractive distillation, Interaction force, Quamtum mechanic, Relative volatility, Solvent extraction.

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Authors: H.Seidi, M.Jalali Azizpour, S.A.Zahedi

Abstract:

Today, Hydroforming technology provides an attractive alternative to conventional matched die forming, especially for cost-sensitive, lower volume production, and for parts with irregular contours. In this study the critical fluid pressures which lead to rupture in the workpiece has been investigated by theoretical and finite element methods. The axisymmetric analysis was developed to investigate the tearing phenomenon in cylindrical Hydroforming Deep Drawing (HDD). By use of obtained equations the effect of anisotropy, drawing ratio, sheet thickness and strain hardening exponent on tearing diagram were investigated.

Keywords: Hydroforming deep drawing, Pressure path, Axisymmetric analysis, Finite element simulation.

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Authors: Seul-Kee Kim, Chi-Seung Lee, Myung-Hyun Kim, Jae-Myung Lee

Abstract:

In this study, the hydrogen transport phenomenon was numerically evaluated by using hydrogen-enhanced localized plasticity (HELP) mechanisms. Two dominant governing equations, namely, the hydrogen transport model and the elasto-plastic model, were introduced. In addition, the implicitly formulated equations of the governing equations were implemented into ABAQUS UMAT user-defined subroutines. The simulation results were compared to published results to validate the proposed method.

Keywords: Hydrogen-enhanced localized plasticity (HELP), Hydrogen embrittlement, Hydrogen transport analysis, ABAQUS UMAT, Finite element method (FEM).

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Authors: A. M. Tahsini, S. T. Mousavi

Abstract:

The purpose of this paper is to elucidate the flow unsteady behavior for moving plug in convergent-divergent variable thrust nozzle. Compressible axisymmetric Navier-Stokes equations are used to study this physical phenomenon. Different velocities are set for plug to investigate the effect of plug movement on flow unsteadiness. Variation of mass flow rate and thrust are compared under two conditions: First, the plug is placed at different positions and flow is simulated to reach the steady state (quasi steady simulation) and second, the plug is moved with assigned velocity and flow simulation is coupled with plug movement (unsteady simulation). If plug speed is high enough and its movement time scale is at the same order of the flow time scale, variation of the mass flow rate and thrust level versus plug position demonstrate a vital discrepancy under the quasi steady and unsteady conditions. This phenomenon should be considered especially from response time viewpoints in thrusters design. 

Keywords: Nozzle, Numerical study, Unsteady, Variable thrust.

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Authors: W. K. Yap, V. Karri

Abstract:

This paper presents a hybrid electric scooter model developed and simulated using Matlab/Simulink. This hybrid scooter modeled has a parallel hybrid structure. The main propulsion units consist of a two stroke internal combustion engine and a hub motor attached to the front wheel of the scooter. The methodology used to optimize the energy and fuel consumption of the hybrid electric scooter is the multi-mode approach. Various case studies were presented to check the model and were compared to the literatures. Results shown that the model developed was feasible and valuable.

Keywords: Hybrid electric scooters, modeling and simulation, hybrid scooter energy management.

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Authors: Mehrdad N. Khajavi , Golamhassan Paygane, Ali Hakima

Abstract:

Vehicle which are turning or maneuvering at high speeds are susceptible to sliding and subsequently deviate from desired path. In this paper the dynamics governing the Yaw/Roll behavior of a vehicle has been simulated. Two different simulations have been used one for the real vehicle, for which a fuzzy controller is designed to increase its directional stability property. The other simulation is for a hypothetical vehicle with much higher tire cornering stiffness which is capable of developing the required lateral forces at the tire-ground patch contact to attain the desired lateral acceleration for the vehicle to follow the desired path without slippage. This simulation model is our reference model. The logic for keeping the vehicle on the desired track in the cornering or maneuvering state is to have some braking forces on the inner or outer tires based on the direction of vehicle deviation from the desired path. The inputs to our vehicle simulation model is steer angle δ and vehicle velocity V , and the outputs can be any kinematical parameters like yaw rate, yaw acceleration, side slip angle, rate of side slip angle and so on. The proposed fuzzy controller is a feed forward controller. This controller has two inputs which are steer angle δ and vehicle velocity V, and the output of the controller is the correcting moment M, which guides the vehicle back to the desired track. To develop the membership functions for the controller inputs and output and the fuzzy rules, the vehicle simulation has been run for 1000 times and the correcting moment have been determined by trial and error. Results of the vehicle simulation with fuzzy controller are very promising and show the vehicle performance is enhanced greatly over the vehicle without the controller. In fact the vehicle performance with the controller is very near the performance of the reference ideal model.

Keywords: Vehicle, Directional Stability, Fuzzy Logic Controller, ANFIS..

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Authors: Cyril Brom, Zuzana Vlckova

Abstract:

IVE toolkit has been created for facilitating research,education and development in the ?eld of virtual storytelling andcomputer games. Primarily, the toolkit is intended for modellingaction selection mechanisms of virtual humans, investigating level-of-detail AI techniques for large virtual environments, and for exploringjoint behaviour and role-passing technique (Sec. V). Additionally, thetoolkit can be used as an AI middleware without any changes. Themain facility of IVE is that it serves for prototyping both the AI andvirtual worlds themselves. The purpose of this paper is to describeIVE?s features in general and to present our current work - includingan educational game - on this platform.Keywords? AI middleware, simulation, virtual world.

Keywords: AI middleware, simulation, virtual world

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Authors: G. Partheepan, D.K. Sehgal, R.K. Pandey

Abstract:

This paper presents a method for determining the uniaxial tensile properties such as Young-s modulus, yield strength and the flow behaviour of a material in a virtually non-destructive manner. To achieve this, a new dumb-bell shaped miniature specimen has been designed. This helps in avoiding the removal of large size material samples from the in-service component for the evaluation of current material properties. The proposed miniature specimen has an advantage in finite element modelling with respect to computational time and memory space. Test fixtures have been developed to enable the tension tests on the miniature specimen in a testing machine. The studies have been conducted in a chromium (H11) steel and an aluminum alloy (AR66). The output from the miniature test viz. load-elongation diagram is obtained and the finite element simulation of the test is carried out using a 2D plane stress analysis. The results are compared with the experimental results. It is observed that the results from the finite element simulation corroborate well with the miniature test results. The approach seems to have potential to predict the mechanical properties of the materials, which could be used in remaining life estimation of the various in-service structures.

Keywords: ABAQUS, finite element, miniature test, tensileproperties

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Authors: Y.Srinivasa Kishore Babu, G.Tulasi Ram Das

Abstract:

This paper presents a comparative study of two most popular control strategies for Induction motor (IM) drives: Field-Oriented Control (FOC) and Direct Torque Control (DTC). The comparison is based on various criteria including basic control characteristics, dynamic performance, and implementation complexity. The study is done by simulation using the Simulink Power System Block set that allows a complete representation of the power section (inverter and IM) and the control system.

Keywords: IM, FOC, DTC, Simulink

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Authors: Ch. Antonopoulos, Th. Kapourniotis, V. Triantafillou

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Optimum communication and performance in Wireless Sensor Networks, constitute multi-facet challenges due to the specific networking characteristics as well as the scarce resource availability. Furthermore, it is becoming increasingly apparent that isolated layer based approaches often do not meet the demands posed by WSNs applications due to omission of critical inter-layer interactions and dependencies. As a counterpart, cross-layer is receiving high interest aiming to exploit these interactions and increase network performance. However, in order to clearly identify existing dependencies, comprehensive performance studies are required evaluating the effect of different critical network parameters on system level performance and behavior.This paper-s main objective is to address the need for multi-parametric performance evaluations considering critical network parameters using a well known network simulator, offering useful and practical conclusions and guidelines. The results reveal strong dependencies among considered parameters which can be utilized by and drive future research efforts, towards designing and implementing highly efficient protocols and architectures.

Keywords: Wireless sensor network, Communication Systems, cross-layer architectures, simulation based performance evaluation

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Authors: K. Echchakhaoui, E. Abdelmounim, J. Zbitou, H. Bennis, N. Ababssi, M. Latrach

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In this paper a new design of a broadband microwave power limiter is presented and validated into simulation by using ADS software (Advanced Design System) from Agilent technologies. The final circuit is built on microstrip lines by using identical Zero Bias Schottky diodes. The power limiter is designed by Associating 3 stages Schottky diodes. The obtained simulation results permit to validate this circuit with a threshold input power level of 0 dBm until a maximum input power of 30 dBm.

Keywords: Limiter, microstrip, zero-biais.

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Authors: P. Satish Kumar, K. Ramakrishna, Ch. Lokeshwar Reddy, G. Sridhar

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This paper presents two different sequential switching hybrid-modulation strategies and implemented for cascaded multilevel inverters. Hybrid modulation strategies represent the combinations of Fundamental-frequency pulse width modulation (FFPWM) and Multilevel sinusoidal-modulation (MSPWM) strategies, and are designed for performance of the well-known Alternative Phase opposition disposition (APOD), Phase shifted carrier (PSC). The main characteristics of these modulations are the reduction of switching losses with good harmonic performance, balanced power loss dissipation among the devices with in a cell, and among the series-connected cells. The feasibility of these modulations is verified through spectral analysis, power loss analysis and simulation.

Keywords: Cascaded multilevel inverters, hybrid modulation, power loss analysis, pulse width modulation.

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Authors: J. Mbihi

Abstract:

This paper presents a dynamic architecture of digital duty-cycle modulation control drivers. Compared to most oversampling digital modulation schemes encountered in industrial electronics, its novelty is founded on a number of relevant merits including; embedded positive and negative feedback loops, internal modulation clock, structural simplicity, elementary building operators, no explicit need of samples of the nonlinear duty-cycle function when computing the switching modulated signal, and minimum number of design parameters. A prototyping digital control driver is synthesized and well tested within MATLAB/Simulink workspace. Then, the virtual simulation results and performance obtained under a sample of relevant instrumentation and control systems are presented, in order to show the feasibility, the reliability, and the versatility of target applications, of the proposed class of low cost and high quality digital control drivers in industrial electronics.

Keywords: Dynamic architecture, virtual simulation, duty-cycle modulation, digital control drivers, industrial electronics.

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Authors: Bu Jianhui, Bi Jinshun, Liu Mengxin, Luo Jiajun, Han Zhengsheng

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The floating body effect is a serious problem for the PDSOI MOSFET, and the H-gate layout is frequently used as the body contact to eliminate this effect. Unfortunately, most of the standard commercial SOI MOSFET model is for the device with finger gate, the necessity of the new models for the H-gate device arises. A simulation model for the H-gate PDSOI MOSFET is proposed based on the 0.35μm PDSOI process developed by the Institute of Microelectronics of the Chinese Academy of Sciences (IMECAS), and then the model is well verified by the ring-oscillator.

Keywords: PDSOI H-gate Device model Body contact.

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Authors: Muthana Saleh Alalaki, Michael Opoku Agyeman

Abstract:

The growth in the number of Intellectual Properties (IPs) or the number of cores on the same chip becomes a critical issue in System-on-Chip (SoC) due to the intra-communication problem between the chip elements. As a result, Network-on-Chip (NoC) has emerged as a system architecture to overcome intra-communication issues. This paper presents a study of recent contributions on simulation tools for NoC. Furthermore, an overview of NoC is covered as well as a comparison between some NoC simulators to help facilitate research in on-chip communication.

Keywords: Network-on-Chip, System-on-Chip, embedded systems, computer architecture.

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Authors: A. Thabet, M. Boutayeb, M. N. Abdelkrim

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This paper investigates a method for the state estimation of nonlinear systems described by a class of differential-algebraic equation (DAE) models using the extended Kalman filter. The method involves the use of a transformation from a DAE to ordinary differential equation (ODE). A relevant dynamic power system model using decoupled techniques will be proposed. The estimation technique consists of a state estimator based on the EKF technique as well as the local stability analysis. High performances are illustrated through a simulation study applied on IEEE 13 buses test system.

Keywords: Power system, Dynamic decoupled model, Extended Kalman Filter, Convergence analysis, Time computing.

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Authors: Renato Santos Paulinelli Raposo, Vinicius Resende Domingues, Manoel Porfirio Cordao Neto

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Rapid drawdown is one of the cases referred to ground stability study in dam projects. Due to the complexity generated by the combination of loads and the difficulty in determining the parameters, analyses of rapid drawdown are usually performed considering the immediate reduction of water level upstream. The proposal of a simulation, considering the gradual reduction in water level upstream, requires knowledge of parameters about consolidation and those related to unsaturated soil. In this context, the purpose of this study is to understand the methodology of collection and analysis of parameters to simulate a rapid drawdown in dams. Using a numerical tool, the study is complemented with a hypothetical case study that can assist the practical use of data compiled. The referenced dam presents homogeneous section composed of clay soil, a height of 70 meters, a width of 12 meters, and upstream slope with inclination 1V:3H.

Keywords: Dam, GeoStudio, rapid drawdown, stability analysis.

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Authors: Hadi Farhadian, Homayoon Katibeh

Abstract:

Groundwater inflow to the tunnels is one of the most important problems in tunneling operation. The objective of this study is the investigation of model dimension effects on tunnel inflow assessment in discontinuous rock masses using numerical modeling. In the numerical simulation, the model dimension has an important role in prediction of water inflow rate. When the model dimension is very small, due to low distance to the tunnel border, the model boundary conditions affect the estimated amount of groundwater flow into the tunnel and results show a very high inflow to tunnel. Hence, in this study, the two-dimensional universal distinct element code (UDEC) used and the impact of different model parameters, such as tunnel radius, joint spacing, horizontal and vertical model domain extent has been evaluated. Results show that the model domain extent is a function of the most significant parameters, which are tunnel radius and joint spacing.

Keywords: Water inflow, Tunnel, Discontinues rock, Numerical simulation.

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Authors: Diako Azizi, Ahmad Gholami, Vahid Abbasi

Abstract:

Optimal selection of electrical insulations in electrical machinery insures reliability during operation. From the insulation studies of view for electrical machines, stator is the most important part. This fact reveals the requirement for inspection of the electrical machine insulation along with the electro-thermal stresses. In the first step of the study, a part of the whole structure of machine in which covers the general characteristics of the machine is chosen, then based on the electromagnetic analysis (finite element method), the machine operation is simulated. In the simulation results, the temperature distribution of the total structure is presented simultaneously by using electro-thermal analysis. The results of electro-thermal analysis can be used for designing an optimal cooling system. In order to design, review and comparing the cooling systems, four wiring structures in the slots of Stator are presented. The structures are compared to each other in terms of electrical, thermal distribution and remaining life of insulation by using Finite Element analysis. According to the steps of the study, an optimization algorithm has been presented for selection of appropriate structure.

Keywords: Electrical field, field distribution, insulation, winding, finite element method, electro thermal

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Authors: Wenjun Zhang, Yunqing Du, Steven W. Cranford, Ming L. Wang

Abstract:

The beginning of 21st century has witnessed new advancements in the design and use of new materials for biosensing applications, from nano to macro, protein to tissue. Traditional analytical methods lack a complete toolset to describe the complexities introduced by living systems, pathological relations, discrete hierarchical materials, cross-phase interactions, and structure-property dependencies. Materiomics – via systematic molecular dynamics (MD) simulation – can provide structureprocess- property relations by using a materials science approach linking mechanisms across scales and enables oriented biosensor design. With this approach, DNA biosensors can be utilized to detect disease biomarkers present in individuals’ breath such as acetone for diabetes. Our wireless sensor array based on single-stranded DNA (ssDNA)-decorated single-walled carbon nanotubes (SWNT) has successfully detected trace amount of various chemicals in vapor differentiated by pattern recognition. Here, we present how MD simulation can revolutionize the way of design and screening of DNA aptamers for targeting biomarkers related to oral diseases and oral health monitoring. It demonstrates great potential to be utilized to build a library of DNDA sequences for reliable detection of several biomarkers of one specific disease, and as well provides a new methodology of creating, designing, and applying of biosensors.

Keywords: Biosensor, design, DNA, molecular dynamics simulation.

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