Search results for: Kinematic Simulation

Authors: S. Ariffin, K. Hasnan, R.H. Weston

Abstract:

A new generation of manufacturing machines so-called MIMCA (modular and integrated machine control architecture) capable of handling much increased complexity in manufacturing control-systems is presented. Requirement for more flexible and effective control systems for manufacturing machine systems is investigated and dimensioned-which highlights a need for improved means of coordinating and monitoring production machinery and equipment used to- transport material. The MIMCA supports simulation based on machine modeling, was conceived by the authors to address the issues. Essentially MIMCA comprises an organized unification of selected architectural frameworks and modeling methods, which include: NISTRCS, UMC and Colored Timed Petri nets (CTPN). The unification has been achieved; to support the design and construction of hierarchical and distributed machine control which realized the concurrent operation of reusable and distributed machine control components; ability to handle growing complexity; and support requirements for real- time control systems. Thus MIMCA enables mapping between 'what a machine should do' and 'how the machine does it' in a well-defined but flexible way designed to facilitate reconfiguration of machine systems.

Keywords: Machine control, architectures, Petri nets, modularity, modeling, simulation.

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Authors: Parviz Alinezhad, Ali Sanati, Koorosh Naser Momtahen

Abstract:

Square pipes (pipes with square cross sections) are being used for various industrial objectives, such as machine structure components and housing/building elements. The utilization of them is extending rapidly and widely. Hence, the out-put of those pipes is increasing and new application fields are continually developing. Due to various demands in recent time, the products have to satisfy difficult specifications with high accuracy in dimensions. The reshaping process design of pipes with square cross sections; however, is performed by trial and error and based on expert-s experience. In this paper, a computer-aided simulation is developed based on the 2-D elastic-plastic method with consideration of the shear deformation to analyze the reshaping process. Effect of various parameters such as diameter of the circular pipe and mechanical properties of metal on product dimension and quality can be evaluated by using this simulation. Moreover, design of reshaping process include determination of shrinkage of cross section, necessary number of stands, radius of rolls and height of pipe at each stand, are investigated. Further, it is shown that there are good agreements between the results of the design method and the experimental results.

Keywords: Circular Pipes, Square Pipes, Shear Deformation, Reshaping Process, Numerical Simulation.

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Authors: A.Larabi, M.S. Boucherit

Abstract:

In this paper, we investigated vector control of an induction machine taking into account discretization problems of the command. In the purpose to show how to include in a discrete model of this current control and with rotor time constant update. The results of simulation obtained are very satisfaisant. That was possible thanks to the good choice of the values of the parameters of the regulators used which shows, the founded good of the method used, for the choice of the parameters of the discrete regulators. The simulation results are presented at the end of this paper.

Keywords: Induction motor, discrete vector control, PIRegulator, transformation of park, PWM.

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Authors: Zhang Linan, Jihwan Song, Dongchoul Kim

Abstract:

In this study, a three-dimensional haptotaxis model to simulate the migration of a population of cancer cells has been proposed. The invasion of cancer cells is related with the hapto-attractant and the effect of the interface energies between the cells and the ECM. The diffuse interface model, which incorporates the haptotaxis mechanism and interface energies, is employed. The semi-implicit Fourier spectral scheme is adopted for efficient evaluation of the simulation. The simulation results thoroughly reveal the dynamics of cancer-cell migration.

Keywords: Haptotaxis, Cancer Cells, Cell Migration, Interface Energy, Diffuse Interface Model

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Authors: R. Ashok Bakkiyaraj, N. Kumarappan

Abstract:

This paper investigates the suitability of Latin Hypercube sampling (LHS) for composite electric power system reliability analysis. Each sample generated in LHS is mapped into an equivalent system state and used for evaluating the annualized system and load point indices. DC loadflow based state evaluation model is solved for each sampled contingency state. The indices evaluated are loss of load probability, loss of load expectation, expected demand not served and expected energy not supplied. The application of the LHS is illustrated through case studies carried out using RBTS and IEEE-RTS test systems. Results obtained are compared with non-sequential Monte Carlo simulation and state enumeration analytical approaches. An error analysis is also carried out to check the LHS method’s ability to capture the distributions of the reliability indices. It is found that LHS approach estimates indices nearer to actual value and gives tighter bounds of indices than non-sequential Monte Carlo simulation.

Keywords: Composite power system, Latin Hypercube sampling, Monte Carlo simulation, Reliability evaluation, Variance analysis.

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Authors: Eduardo Romero, Marcelo Costamagna, Gabriela Peretti, Carlos Marqués

Abstract:

This work evaluates the ability of OBT for detecting parametric faults in continuous-time filters. To this end, we adopt two filters with quite different topologies as cases of study and a previously reported statistical fault model. In addition, we explore the behavior of the test schemes when a particular test condition is changed. The new data reported here, obtained from a fault simulation process, reveal a lower performance of OBT not observed in previous work using single-deviation faults, even under the change in the test condition.

Keywords: Testing, analog fault simulation, analog filter test, oscillation based test.

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Authors: S.Asadi, H.Panahi

Abstract:

The Navier–Stokes equations for unsteady, incompressible, viscous fluids in the axisymmetric coordinate system are solved using a control volume method. The volume-of-fluid (VOF) technique is used to track the free-surface of the liquid. Model predictions are in good agreement with experimental measurements. It is found that the dynamic processes after impact are sensitive to the initial droplet velocity and the liquid pool depth. The time evolution of the crown height and diameter are obtained by numerical simulation. The critical We number for splashing (Wecr) is studied for Oh (Ohnesorge) numbers in the range of 0.01~0.1; the results compares well with those of the experiments.

Keywords: Droplet impingement, free surface flows, liquid crown, numerical simulation, thin liquid film.

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Authors: Young Kwon Yang, In Sung Kang, Jung Ha Hwang, Jin Chul Park

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The present study is a foundational study for performance improvements on isolation wards to prevent proliferation of secondary infection of infectious diseases such as SARS, H1N1, and MERS inside hospitals. Accordingly, the present study conducted an analysis of the effect of sealing mechanisms and filling of openings on ensuring air tightness performance in isolation wards as well as simulation on air currents in improved isolation wards. The study method is as follows. First, previous studies on aerial infection type and mechanism were reviewed, and the review results were utilized as basic data of analysis on simulation of air current. Second, national and international legislations and regulations in relation to isolation wards as well as case studies on developed nations were investigated in order to identify the problems in isolation wards in Korea and improvement plans. Third, construction and facility plans were compared and analyzed between general and isolation wards focusing on large general hospitals in Korea, thereby conducting comparison and analysis on the performance and effects of air-tightness of general and isolation wards through CFD simulations. The study results showed that isolation wards had better air-tightness performance than that of general wards.

Keywords: AII Room, air-borne infection, CFD, computational fluid dynamics.

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Authors: K. Boumediene, S. E. Belhenniche

Abstract:

This article presents a numerical analysis of a turbulent flow past DTMB 4119 marine propeller by the means of RANS approach; the propeller designed at David Taylor Model Basin in USA. The purpose of this study is to predict the hydrodynamic performance of the marine propeller, it aims also to compare the results obtained with the experiment carried out in open water tests; a periodical computational domain was created to reduce the unstructured mesh size generated. The standard kw turbulence model for the simulation is selected; the results were in a good agreement. Therefore, the errors were estimated respectively to 1.3% and 5.9% for KT and KQ.

Keywords: propeller flow, CFD simulation, hydrodynamic performance, RANS

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Authors: G. Tanapornraweekit, W. Kulsirikasem

Abstract:

This paper presents the simulation of fragmentation warhead using a hydrocode, Autodyn. The goal of this research is to determine the lethal range of such a warhead. This study investigates the lethal range of warheads with and without steel balls as preformed fragments. The results from the FE simulation, i.e. initial velocities and ejected spray angles of fragments, are further processed using an analytical approach so as to determine a fragment hit density and probability of kill of a modelled warhead. In order to simulate a plenty of preformed fragments inside a warhead, the model requires expensive computation resources. Therefore, this study attempts to model the problem in an alternative approach by considering an equivalent mass of preformed fragments to the mass of warhead casing. This approach yields approximately 7% and 20% difference of fragment velocities from the analytical results for one and two layers of preformed fragments, respectively. The lethal ranges of the simulated warheads are 42.6 m and 56.5 m for warheads with one and two layers of preformed fragments, respectively, compared to 13.85 m for a warhead without preformed fragment. These lethal ranges are based on the requirement of fragment hit density. The lethal ranges which are based on the probability of kill are 27.5 m, 61 m and 70 m for warheads with no preformed fragment, one and two layers of preformed fragments, respectively.

Keywords: Lethal Range, Natural Fragment, Preformed Fragment, Warhead.

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Authors: Ahmed Hosny Abdel-Rahman, Mohamed Abdel-Moneim

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Reinforced earth structures are generally subjected to cyclic loading generated from earthquakes. This paper presents a summary of the results and analyses of a testing program carried out in a large-scale multi-function geosynthetic testing apparatus that accommodates soil samples up to 1.0 m³. This apparatus performs different shear and pullout tests under both static and cyclic loading. The testing program was carried out to investigate the controlling factors affecting soil/geogrid interaction under cyclic loading. The extensibility of the geogrids, the applied normal stresses, the characteristics of the cyclic loading (frequency, and amplitude), and initial static load within the geogrid sheet were considered in the testing program. Based on the findings of the testing program, the effect of these parameters on the pullout resistance of geogrids, as well as the displacement mobility under cyclic loading were evaluated. Conclusions and recommendations for the design of reinforced earth walls under cyclic loading are presented.

Keywords: Geogrid, Soil, Interface, Cyclic Loading, Pullout, and Large scale Testing.

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Authors: Sedat Atmaca, Celal Ceken, Ismail Erturk

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One of the biggest drawbacks of the wireless environment is the limited bandwidth. However, the users sharing this limited bandwidth have been increasing considerably. SDMA technique which entails using directional antennas allows to increase the capacity of a wireless network by separating users in the medium. In this paper, it has been presented how the capacity can be enhanced while the mean delay is reduced by using directional antennas in wireless networks employing TDMA/FDD MAC. Computer modeling and simulation of the wireless system studied are realized using OPNET Modeler. Preliminary simulation results are presented and the performance of the model using directional antennas is evaluated and compared consistently with the one using omnidirectional antennas.

Keywords: Directional Antenna, TDMA, SDMA,

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Authors: V. Salajka, Z. Kaláb, J. Kala, P. Hradil

Abstract:

In the territories where high-intensity earthquakes are frequent is paid attention to the solving of the seismic problems. In the paper are described two computational model variants based on finite element method of the construction with different subsoil simulation (rigid or elastic subsoil) is used. For simulation and calculations program system based on method final elements ANSYS was used. Seismic responses calculations of residential building structure were effected on loading characterized by accelerogram for comparing with the responses spectra method.

Keywords: Accelerogram, ANSYS, mining induced seismic, residential building structure, spectra, subsoil.

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Authors: B. Singh, K. K. Agrawal, B. K. Nanda

Abstract:

In built-up structures, one of the effective ways of dissipating unwanted vibration is to exploit the occurrence of slip at the interfaces of structural laminates. The present work focuses on the dynamic analysis of welded structures. A mathematical formulation has been developed for the mechanism of slip damping in layered and welded mild steel beams with unequal thickness subjected to both periodic and non-periodic forces. It is observed that a number of vital parameters such as; thickness ratio, pressure distribution characteristics, relative slip and kinematic co-efficient of friction at the interfaces, nature of exciting forces, length and thickness of the beam specimen govern the damping characteristics of these structures. Experimental verification has been carried out to validate the analysis and study the effect of these parameters. The developed damping model for the structure is found to be in fairly good agreement with the measured data. Finally, the results of the analysis are discussed and rationalized.

Keywords: Slip damping, tack welded joint, thickness ratio, inplane bending stress

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Authors: Parham Azimi, Mohammad Reza Ghanbari

Abstract:

The dramatic increasing of sea-freight container transportations and the developing trends for using containers in the multimodal handling systems through the sea, rail, road and land in nowadays market cause general managers of container terminals to face challenges such as increasing demand, competitive situation, new investments and expansion of new activities and need to use new methods to fulfil effective operations both along quayside and within the yard. Among these issues, minimizing the turnaround time of vessels is considered to be the first aim of every container port system. Regarding the complex structure of container ports, this paper presents a simulation model that calculates the number of trucks needed in the Iranian Shahid Rajaee Container Port for handling containers between the berth and the yard. In this research, some important criteria such as vessel turnaround time, gantry crane utilization and truck utilization have been considered. By analyzing the results of the model, it has been shown that increasing the number of trucks to 66 units has a significant effect on the performance indices of the port and can increase the capacity of loading and unloading up to 10.8%.

Keywords: Container Terminal, Gantry Crane Utilization, Simulation, Vessel Turnaround Time

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Authors: M.K.Jeya Kumar

Abstract:

Many advanced Routing protocols for wireless sensor networks have been implemented for the effective routing of data. Energy awareness is an essential design issue and almost all of these routing protocols are considered as energy efficient and its ultimate objective is to maximize the whole network lifetime. However, the introductions of video and imaging sensors have posed additional challenges. Transmission of video and imaging data requires both energy and QoS aware routing in order to ensure efficient usage of the sensors and effective access to the gathered measurements. In this paper, the performance of the energy-aware QoS routing Protocol are analyzed in different performance metrics like average lifetime of a node, average delay per packet and network throughput. The parameters considered in this study are end-to-end delay, real time data generation/capture rates, packet drop probability and buffer size. The network throughput for realtime and non-realtime data was also has been analyzed. The simulation has been done in NS2 simulation environment and the simulation results were analyzed with respect to different metrics.

Keywords: Cluster nodes, end-to-end delay, QoS routing, routing protocols, sensor networks, least-cost-path.

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Authors: S. Boukais, A. Nekmouche, N. Khelil, A. Kezmane

Abstract:

The first intent of this study is to develop a finite element model that can predict correctly the behavior of the reinforced concrete column. Second aim is to use the finite element model to investigate and evaluate the effect of the strengthening method by jacketing of the reinforced concrete column, by considering different interface contact between the old and the new concrete. Four models were evaluated, one by considering perfect contact, the other three models by using friction coefficient of 0.1, 0.3 and 0.5. The simulation was carried out by using Abaqus software. The obtained results show that the jacketing reinforcement led to significant increase of the global performance of the behavior of the simulated reinforced concrete column.

Keywords: Strengthening, jacketing, reinforced concrete column, 3D simulation, Abaqus.

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Authors: F.H.Wee, F. Malek

Abstract:

This paper presents the utilizing of ferroelectric material on antenna application. There are two different ferroelectric had been used on the proposed antennas which include of Barium Strontium Titanate (BST) and Bismuth Titanate (BiT), suitable for Access Points operating in the WLAN IEEE 802.11 b/g and WiMAX IEEE 802.16 within the range of 2.3 GHz to 2.5 GHz application. BST, which had been tested to own a dielectric constant of εr = 15 while BiT has a dielectric constant that higher than BST which is εr = 21 and both materials are in rectangular shaped. The influence of various parameters on antenna characteristics were investigated extensively using commercial electromagnetic simulations software by Communication Simulation Technology (CST). From theoretical analysis and simulation results, it was demonstrated that ferroelectric material used have not only improved the directive emission but also enhanced the radiation efficiency.

Keywords: Ferroelectric material, WLAN, WiMAX, dielectric constant

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Authors: Adam Świtoński, Agnieszka Michalczuk, Henryk Josiński, Andrzej Polański, KonradWojciechowski

Abstract:

The method of gait identification based on the nearest neighbor classification technique with motion similarity assessment by the dynamic time warping is proposed. The model based kinematic motion data, represented by the joints rotations coded by Euler angles and unit quaternions is used. The different pose distance functions in Euler angles and quaternion spaces are considered. To evaluate individual features of the subsequent joints movements during gait cycle, joint selection is carried out. To examine proposed approach database containing 353 gaits of 25 humans collected in motion capture laboratory is used. The obtained results are promising. The classifications, which takes into consideration all joints has accuracy over 91%. Only analysis of movements of hip joints allows to correctly identify gaits with almost 80% precision.

Keywords: Biometrics, dynamic time warping, gait identification, motion capture, time series classification, quaternion distance functions, attribute ranking.

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Authors: R. K. Singh, P. K. Jain

Abstract:

In the present paper, disc loaded interaction structure for potential application in wideband Gyro-TWT amplifier has been analyzed, taking all the space and modal harmonics into consideration, for the eigenwave solutions. The analysis has been restricted to azimuthally symmetric TE0,n mode. Dispersion characteristics have been plotted by varying the structure parameters and have been validated against HFSS simulation results. The variation of eigenvalue with respect to different structure parameters has also been presented. It has been observed that disc periodicity plays very important role for wideband operation of disc-loaded Gyro-TWT.

Keywords: Broadbanding, Disc-loaded interaction structure, Eigenvalue, Gyro-TWT, HFSS.

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Authors: Shuting Ji, Yueming Zhang, Jing Zhao

Abstract:

The output error of the globoidal cam mechanism can be considered as a relevant indicator of mechanism performance, because it determines kinematic and dynamical behavior of mechanical transmission. Based on the differential geometry and the rigid body transformations, the mathematical model of surface geometry of the globoidal cam is established. Then we present the analytical expression of the output error (including the transmission error and the displacement error along the output axis) by considering different manufacture and assembly errors. The effects of the center distance error, the perpendicular error between input and output axes and the rotational angle error of the globoidal cam on the output error are systematically analyzed. A globoidal cam mechanism which is widely used in automatic tool changer of CNC machines is applied for illustration. Our results show that the perpendicular error and the rotational angle error have little effects on the transmission error but have great effects on the displacement error along the output axis. This study plays an important role in the design, manufacture and assembly of the globoidal cam mechanism.

Keywords: Globoidal cam mechanism, manufacture error, transmission error, automatic tool changer.

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Authors: Panagiotis Kyratsis, Dr. Ing. Nikolaos Bilalis, Dr. Ing. Aristomenis Antoniadis

Abstract:

Twist drills are geometrical complex tools and thus various researchers have adopted different mathematical and experimental approaches for their simulation. The present paper acknowledges the increasing use of modern CAD systems and using the API (Application Programming Interface) of a CAD system, drilling simulations are carried out. The developed DRILL3D software routine, creates parametrically controlled tool geometries and using different cutting conditions, achieves the generation of solid models for all the relevant data involved (drilling tool, cut workpiece, undeformed chip). The final data derived, consist a platform for further direct simulations regarding the determination of cutting forces, tool wear, drilling optimizations etc.

Keywords: Drilling, CAD based simulation, 3D-modelling.

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Authors: P. Sowa

Abstract:

The article reviews the current state of large-scale studies about the impact of electromagnetic field on natural environment. The scenario of investigations – simulation of natural conditions at the workplace, taking into consideration the influence both low and high frequency electromagnetic fields is shown.The biological effects of low and high frequency electromagnetic fields are below presented. Results of investigation with animals are shown. The norms and regulations concerning the levels of electromagnetic field intensity are reviewed.

Keywords: Electromagnetic field and environment, biological effects of electric field on human body, simulation of natural condition at workplace

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Authors: Afzeri, A.G.E Sujtipto, R. Muhida, M. Konneh, Darmawan

Abstract:

Increasing the demand for effectively use of the production facility requires the tools for sharing the manufacturing facility through remote operation of the machining process. This research introduces the methodology of machining technology for direct remote operation of networked milling machine. The integrated tools with virtual simulation, remote desktop protocol and Setup Free Attachment for remote operation of milling process are proposed. Accessing and monitoring of machining operation is performed by remote desktop interface and 3D virtual simulations. Capability of remote operation is supported by an auto setup attachment with a reconfigurable pin type setup free technology installed on the table of CNC milling machine to perform unattended machining process. The system is designed using a computer server and connected to a PC based controlled CNC machine for real time monitoring. A client will access the server through internet communication and virtually simulate the machine activity. The result has been presented that combination between real time virtual simulation and remote desktop tool is enabling to operate all machine tool functions and as well as workpiece setup..

Keywords: Remote Desktop, PC Based CNC, Remote Machining.

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Authors: V. B. Bastos, M. P. Lima, P. R. G. Kurka

Abstract:

This paper applies to the creation of virtual 3D environments for the study and development of mobile robot image based navigation algorithms and techniques, which need to operate robustly and efficiently. The test of these algorithms can be performed in a physical way, from conducting experiments on a prototype, or by numerical simulations. Current simulation platforms for robotic applications do not have flexible and updated models for image rendering, being unable to reproduce complex light effects and materials. Thus, it is necessary to create a test platform that integrates sophisticated simulated applications of real environments for navigation, with data and image processing. This work proposes the development of a high-level platform for building 3D model’s environments and the test of image-based navigation algorithms for mobile robots. Techniques were used for applying texture and lighting effects in order to accurately represent the generation of rendered images regarding the real world version. The application will integrate image processing scripts, trajectory control, dynamic modeling and simulation techniques for physics representation and picture rendering with the open source 3D creation suite - Blender.

Keywords: Simulation, visual navigation, mobile robot, data visualization.

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Authors: Sujing Wang, Song Wang, Jian Zhang, Qiang Xu

Abstract:

Flaring emissions during abnormal operating conditions such as plant start-ups, shut-downs, and upsets in chemical process industries (CPI) are usually significant. Flare minimization can help to save raw material and energy for CPI plants, and to improve local environmental sustainability. In this paper, a systematic methodology based on plant-wide dynamic simulation is presented for CPI plant flare minimizations under abnormal operating conditions. Since off-specification emission sources are inevitable during abnormal operating conditions, to significantly reduce flaring emission in a CPI plant, they must be either recycled to the upstream process for online reuse, or stored somewhere temporarily for future reprocessing, when the CPI plant manufacturing returns to stable operation. Thus, the off-spec products could be reused instead of being flared. This can be achieved through the identification of viable design and operational strategies during normal and abnormal operations through plant-wide dynamic scheduling, simulation, and optimization. The proposed study includes three stages of simulation works: (i) developing and validating a steady-state model of a CPI plant; (ii) transiting the obtained steady-state plant model to the dynamic modeling environment; and refining and validating the plant dynamic model; and (iii) developing flare minimization strategies for abnormal operating conditions of a CPI plant via a validated plant-wide dynamic model. This cost-effective methodology has two main merits: (i) employing large-scale dynamic modeling and simulations for industrial flare minimization, which involves various unit models for modeling hundreds of CPI plant facilities; (ii) dealing with critical abnormal operating conditions of CPI plants such as plant start-up and shut-down. Two virtual case studies on flare minimizations for start-up operation (over 50% of emission savings) and shut-down operation (over 70% of emission savings) of an ethylene plant have been employed to demonstrate the efficacy of the proposed study.

Keywords: Flare minimization, large-scale modeling and simulation, plant shut-down, plant start-up.

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Authors: Santosh Kr. Choudhary

Abstract:

In this article, LQR based PID controller design for 3DOF helicopter system is investigated. The 3-DOF helicopter system is a benchmark laboratory model having strongly nonlinear characteristics and unstable dynamics which make the control of such system a challenging task. This article first presents the mathematical model of the 3DOF helicopter system and then illustrates the basic idea and technical formulation for controller design. The paper explains the simple approach for the approximation of PID design parameters from the LQR controller gain matrix. The simulation results show that the investigated controller has both static and dynamic performance, therefore the stability and the quick control effect can be obtained simultaneously for the 3DOF helicopter system.

Keywords: 3DOF helicopter system, PID controller, LQR controller, modeling, simulation.

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Authors: Abdolamir Nekoubin

Abstract:

In this paper the behavior of fixed series compensated extra high voltage transmission lines during faults is simulated. Many over-voltage protection schemes for series capacitors are limited in terms of size and performance, and are easily affected by environmental conditions. While the need for more compact and environmentally robust equipment is required. use of series capacitors for compensating part of the inductive reactance of long transmission lines increases the power transmission capacity. Emphasis is given on the impact of modern capacitor protection techniques (MOV protection). The simulation study is performed using MATLAB/SIMULINK®and results are given for a three phase and a single phase to ground fault.

Keywords: Series compensation, MOV - protected series capacitors, balanced and unbalanced faults

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Authors: N. Massoum, B. Bouazza, H. Tahir, C. Sayah, A. Guen Bouazza

Abstract:

to simulate the phenomenon of electronic transport in semiconductors, we try to adapt a numerical method, often and most frequently it’s that of Monte Carlo. In our work, we applied this method in the case of a ternary alloy semiconductor GaInP in its cubic form; The Calculations are made using a non-parabolic effective-mass energy band model. We consider a band of conduction to three valleys (ΓLX), major of the scattering mechanisms are taken into account in this modeling, as the interactions with the acoustic phonons (elastic collisions) and optics (inelastic collisions). The polar optical phonons cause anisotropic collisions, intra-valleys, very probable in the III-V semiconductors. Other optical phonons, no polar, allow transitions inter-valleys. Initially, we present the full results obtained by the simulation of Monte Carlo in GaInP in stationary regime. We consider thereafter the effects related to the application of an electric field varying according to time, we thus study the transient phenomenon which make their appearance in ternary material

Keywords: Monte Carlo simulation, steady-state electron transport, transient electron transport, alloy scattering.

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Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

Abstract:

The present models and simulation algorithms of intracellular stochastic kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work a mathematical treatment of diffusion that can be incorporated in a stochastic algorithm simulating the dynamics of a reaction-diffusion system is presented. The movement of a molecule A from a region i to a region j of the space is represented as a first order reaction Ai k- ! Aj , where the rate constant k depends on the diffusion coefficient. The diffusion coefficients are modeled as function of the local concentration of the solutes, their intrinsic viscosities, their frictional coefficients and the temperature of the system. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the intrinsic reaction kinetics and diffusion dynamics. To demonstrate the method the simulation results of the reaction-diffusion system of chaperoneassisted protein folding in cytoplasm are shown.

Keywords: Reaction-diffusion systems, diffusion coefficient, stochastic simulation algorithm.

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