Search results for: molecular modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2321

Search results for: molecular modeling

1961 Non-Linear Numerical Modeling of the Interaction of Twin Tunnels-Structure

Authors: A. Bayoumi, M. Abdallah, F. Hage Chehade

Abstract:

Structures on the ground surface bear impact from the tunneling-induced settlement, especially when twin tunnels are constructed. The tunneling influence on the structure is considered as a critical issue based on the construction procedure and relative position of tunnels. Lebanon is suffering from a traffic phenomenon caused by the lack of transportation systems. After several traffic counts and geotechnical investigations in Beirut city, efforts aim for the construction of tunneling systems. In this paper, we present a non-linear numerical modeling of the effect of the twin tunnels constructions on the structures located at soil surface for a particular site in Beirut. A parametric study, which concerns the geometric configuration of tunnels, the distance between their centers, the construction order, and the position of the structure, is performed. The tunnel-soil-structure interaction is analyzed by using the non-linear finite element modeling software PLAXIS 2D. The results of the surface settlement and the bending moment of the structure reveal significant influence when the structure is moved away, especially in vertical aligned tunnels.

Keywords: Bending moment, construction procedure, elastic modulus, relative position, soil, structure location, surface settlement, twin tunnels.

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1960 Modeling of Plasticity of Clays Submitted to Compression Test

Authors: Otávio J.U. Flores, Fernando A. Andrade, Dachamir Hotza, Hazim A. Al-Qureshi

Abstract:

In the forming of ceramic materials the plasticity concept is commonly used. This term is related to a particular mechanical behavior when clay is mixed with water. A plastic ceramic material shows a permanent strain without rupture when a compressive load produces a shear stress that exceeds the material-s yield strength. For a plastic ceramic body it observes a measurable elastic behavior before the yield strength and when the applied load is removed. In this work, a mathematical model was developed from applied concepts of the plasticity theory by using the stress/strain diagram under compression.

Keywords: Plasticity, clay, modeling, coefficient of friction.

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1959 Biomechanical Properties of Hen's Eggshell: Experimental Study and Numerical Modeling

Authors: A. Darvizeh, H. Rajabi, S. Fatahtooei Nejad, A. Khaheshi, P. Haghdoust

Abstract:

In this article, biomechanical aspects of hen-s eggshell as a natural ceramic structure are studied. The images, taken by a scanning electron microscope (SEM), are used to investigate the microscopic aspects of the egg. It is observed that eggshell has a three-layered microstructure with different morphological and structural characteristics. Studies on the eggshell membrane (ESM) as a prosperous tissue suggest that it is placed to prevent the penetration of microorganisms into the egg. Finally, numerical models of the egg are presented to study the stress distribution and its deformation under different loading conditions. The effects of two different types of loading (hydrostatic and point loadings) on two different shell models (with constant and variable thicknesses) are investigated in detail.

Keywords: Eggshell, biomechanical properties, Scanning electron microscope, Numerical Modeling.

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1958 Coupled Spacecraft Orbital and Attitude Modeling and Simulation in Multi-Complex Modes

Authors: Amr Abdel Azim Ali, G. A. Elsheikh, Moutaz Hegazy

Abstract:

This paper presents verification of a modeling and simulation for a Spacecraft (SC) attitude and orbit control system. Detailed formulation of coupled SC orbital and attitude equations of motion is performed in order to achieve accepted accuracy to meet the requirements of multitargets tracking and orbit correction complex modes. Correction of the target parameter based on the estimated state vector during shooting time to enhance pointing accuracy is considered. Time-optimal nonlinear feedback control technique was used in order to take full advantage of the maximum torques that the controller can deliver. This simulation provides options for visualizing SC trajectory and attitude in a 3D environment by including an interface with V-Realm Builder and VR Sink in Simulink/MATLAB. Verification data confirms the simulation results, ensuring that the model and the proposed control law can be used successfully for large and fast tracking and is robust enough to keep the pointing accuracy within the desired limits with considerable uncertainty in inertia and control torque.

Keywords: Attitude and orbit control, time-optimal nonlinear feedback control, modeling and simulation, pointing accuracy, maximum torques.

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1957 Application of Neural Network on the Loading of Copper onto Clinoptilolite

Authors: John Kabuba

Abstract:

The study investigated the implementation of the Neural Network (NN) techniques for prediction of the loading of Cu ions onto clinoptilolite. The experimental design using analysis of variance (ANOVA) was chosen for testing the adequacy of the Neural Network and for optimizing of the effective input parameters (pH, temperature and initial concentration). Feed forward, multi-layer perceptron (MLP) NN successfully tracked the non-linear behavior of the adsorption process versus the input parameters with mean squared error (MSE), correlation coefficient (R) and minimum squared error (MSRE) of 0.102, 0.998 and 0.004 respectively. The results showed that NN modeling techniques could effectively predict and simulate the highly complex system and non-linear process such as ionexchange.

Keywords: Clinoptilolite, loading, modeling, Neural network.

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1956 Modeling Studies for Electrocoagulation

Authors: A. Genç, R. Hacıoğlu, B. Bakırcı

Abstract:

Synthetic oily wastewaters were prepared from metal working fluids (MWF). Electrocoagulation experiments were performed under constant voltage application. The current, conductivity, pH, dissolved oxygen concentration and temperature were recorded on line at every 5 seconds during the experiments. Effects of applied voltage differences, electrode materials and distance between electrodes on removal efficiency have been investigated. According to the experimental results, the treatment of MWF wastewaters by iron electrodes rather than aluminum and stainless steel was much quicker; and the distance between electrodes should be less than 1cm. The electrocoagulation process was modeled by using block oriented approach and found out that it can be modeled as a single input and multiple output system. Modeling studies indicates that the electrocoagulation process has a nonlinear model structure.

Keywords: Electrocoagulation, oily wastewater, SIMO systems.

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1955 Probabilistic Modeling of Network-induced Delays in Networked Control Systems

Authors: Manoj Kumar, A.K. Verma, A. Srividya

Abstract:

Time varying network induced delays in networked control systems (NCS) are known for degrading control system-s quality of performance (QoP) and causing stability problems. In literature, a control method employing modeling of communication delays as probability distribution, proves to be a better method. This paper focuses on modeling of network induced delays as probability distribution. CAN and MIL-STD-1553B are extensively used to carry periodic control and monitoring data in networked control systems. In literature, methods to estimate only the worst-case delays for these networks are available. In this paper probabilistic network delay model for CAN and MIL-STD-1553B networks are given. A systematic method to estimate values to model parameters from network parameters is given. A method to predict network delay in next cycle based on the present network delay is presented. Effect of active network redundancy and redundancy at node level on network delay and system response-time is also analyzed.

Keywords: NCS (networked control system), delay analysis, response-time distribution, worst-case delay, CAN, MIL-STD-1553B, redundancy

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1954 Molecular Dynamics Simulation of Lubricant Adsorption and Thermal Depletion Instability

Authors: Bei Li, Qiu B. Chen, Chee H. Wong

Abstract:

In this work, we incorporated a quartic bond potential into a coarse-grained bead-spring model to study lubricant adsorption on a solid surface as well as depletion instability. The surface tension density and the number density profiles were examined to verify the solid-liquid and liquid-vapor interfaces during heat treatment. It was found that both the liquid-vapor interfacial thickness and the solid-vapor separation increase with the temperatureT* when T*is below the phase transition temperature Tc *. At high temperatures (T*>Tc *), the solid-vapor separation decreases gradually as the temperature increases. In addition, we evaluated the lubricant weight and bond loss profiles at different temperatures. It was observed that the lubricant desorption is favored over decomposition and is the main cause of the lubricant failure at the head disk interface in our simulations.

Keywords: Depletion instability, Lubricant film, Thermal adsorption, Molecular dynamics (MD).

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1953 Computer Modeling and Plant-Wide Dynamic Simulation for Industrial Flare Minimization

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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1952 Investigation of Chlorophylls a and b Interaction with Inner and Outer Surfaces of Single-Walled Carbon Nanotube Using Molecular Dynamics Simulation

Authors: M. Dehestani, M. Ghasemi-Kooch

Abstract:

In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.

Keywords: Dynamic simulation, single walled carbon nanotube, chlorophyll, adsorption.

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1951 Solving Part Type Selection and Loading Problem in Flexible Manufacturing System Using Real Coded Genetic Algorithms – Part I: Modeling

Authors: Wayan F. Mahmudy, Romeo M. Marian, Lee H. S. Luong

Abstract:

This paper and its companion (Part 2) deal with modeling and optimization of two NP-hard problems in production planning of flexible manufacturing system (FMS), part type selection problem and loading problem. The part type selection problem and the loading problem are strongly related and heavily influence the system-s efficiency and productivity. The complexity of the problems is harder when flexibilities of operations such as the possibility of operation processed on alternative machines with alternative tools are considered. These problems have been modeled and solved simultaneously by using real coded genetic algorithms (RCGA) which uses an array of real numbers as chromosome representation. These real numbers can be converted into part type sequence and machines that are used to process the part types. This first part of the papers focuses on the modeling of the problems and discussing how the novel chromosome representation can be applied to solve the problems. The second part will discuss the effectiveness of the RCGA to solve various test bed problems.

Keywords: Flexible manufacturing system, production planning, part type selection problem, loading problem, real-coded genetic algorithm

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1950 Research of Ring MEMS Rate Integrating Gyroscopes

Authors: Hui Liu, Haiyang Quan

Abstract:

This paper To get the angle value with a MEMS rate gyroscope in some specific field, the usual method is to make an integral operation to the rate output, which will lead the error cumulating effect. So the rate gyro is not suitable. MEMS rate integrating gyroscope (MRIG) will solve this problem. A DSP system has been developed to implement the control arithmetic. The system can measure the angle of rotation directly by the control loops that make the sensor work in whole-angle mode. Modeling the system with MATLAB, desirable results of angle outputs are got, which prove the feasibility of the control arithmetic.

Keywords: Rate gyroscope, Rate integrating gyroscope, Whole angle mode, MATLAB modeling, DSP control.

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1949 Impact of Combustion of Water in Fuel on Polycyclic Aromatic Hydrocarbon (Pah-s)Precursors- Formation

Authors: Abdulaziz H. El-Sinawi

Abstract:

Some of the polycyclic aromatic hydrocarbons (PAHs) are the strongest known carcinogens compounds; the majority of them are mostly produced by the incomplete combustion of fossil fuels; Motor vehicles are a significant source of polycyclic aromatic hydrocarbon (PAH) where diesel emission is one of the main sources of such compounds available in the ambient air. There is a big concern about the increasing concentration of PAHs in the environment. Researchers are trying to explore optimal methods to reduce those pollutants and improve the quality of air. Water blended fuel is one of the possible approaches to reduce emission of PAHs from the combustion of diesel in urban and domestic vehicles. In this work a modeling study was conducted using CHEMKIN-PRO software to simulate spray combustion at similar diesel engine conditions. Surrogate fuel of (80 % n-heptane and 20 % toluene) was used due to detailed kinetic and thermodynamic data needed for modeling is available for this kind of fuel but not available for diesel. An emulsified fuel with 3, 5, 8, 10 and 20 % water by volume is used as an engine feed for this study. The modeling results show that water has a significant effect on reducing engine soot and PAHs precursors formation up to certain extent.

Keywords: Polycyclic Aromatic Hydrocarbons (PAHs), DieselEngine, Emission, Surrogate Fuel, Emulsified Fuel, Soot precursors, Combustion

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1948 Modeling and Simulation of Honeycomb Steel Sandwich Panels under Blast Loading

Authors: Sayed M. Soleimani, Nader H. Ghareeb, Nourhan H. Shaker, Muhammad B. Siddiqui

Abstract:

Honeycomb sandwich panels have been widely used as protective structural elements against blast loading. The main advantages of these panels include their light weight due to the presence of voids, as well as their energy absorption capability. Terrorist activities have imposed new challenges to structural engineers to design protective measures for vital structures. Since blast loading is not usually considered in the load combinations during the design process of a structure, researchers around the world have been motivated to study the behavior of potential elements capable of resisting sudden loads imposed by the detonation of explosive materials. One of the best candidates for this objective is the honeycomb sandwich panel. Studying the effects of explosive materials on the panels requires costly and time-consuming experiments. Moreover, these type of experiments need permission from defense organizations which can become a hurdle. As a result, modeling and simulation using an appropriate tool can be considered as a good alternative. In this research work, the finite element package ABAQUS® is used to study the behavior of hexagonal and squared honeycomb steel sandwich panels under the explosive effects of different amounts of trinitrotoluene (TNT). The results of finite element modeling of a specific honeycomb configuration are initially validated by comparing them with the experimental results from literature. Afterwards, several configurations including different geometrical properties of the honeycomb wall are investigated and the results are compared with the original model. Finally, the effectiveness of the core shape and wall thickness are discussed, and conclusions are made.

Keywords: Blast loading, finite element modeling, steel honeycomb sandwich panel.

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1947 Modeling Jordan University of Science and Technology Parking Using Arena Program

Authors: T. Qasim, M. Alqawasmi, M. Hawash, M. Betar, W. Qasim

Abstract:

Over the last decade, the over population that has happened in urban areas has been reflecting on the services that various local institutions provide to car users in the form of car parks, which is becoming a daily necessity in our lives. This study focuses on car parks at Jordan University of Science and Technology, in Irbid, Jordan, to understand the university parking needs. Data regarding arrival and departure times of cars and the parking utilization were collected, to find various options that the university can implement to solve and develop an efficient car parking system. Arena software was used to simulate a parking model. This model allows measuring the different solutions that solve the parking problem at Jordan University of Science and Technology.

Keywords: Car park, modeling, service time, simulation.

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1946 Modeling and Validation of Microspheres Generation in the Modified T-Junction Device

Authors: Lei Lei, Hongbo Zhang, Donald J. Bergstrom, Bing Zhang, K. Y. Song, W. J. Zhang

Abstract:

This paper presents a model for a modified T-junction device for microspheres generation. The numerical model is developed using a commercial software package: COMSOL Multiphysics. In order to test the accuracy of the numerical model, multiple variables, such as the flow rate of cross-flow, fluid properties, structure, and geometry of the microdevice are applied. The results from the model are compared with the experimental results in the diameter of the microsphere generated. The comparison shows a good agreement. Therefore the model is useful in further optimization of the device and feedback control of microsphere generation if any.

Keywords: CFD modeling, validation, microsphere generation, modified T-junction.

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1945 Alternating Current Photovoltaic Module Model

Authors: Irtaza M. Syed, Kaamran Raahemifar

Abstract:

This paper presents modeling of an Alternating Current (AC) Photovoltaic (PV) module using Matlab/Simulink. The proposed AC-PV module model is simple, realistic, and application oriented. The model is derived on module level as compared to cell level directly from the information provided by the manufacturer data sheet. DC-PV module, MPPT control, BC, VSI and LC filter, all were treated as a single unit. The model accounts for changes in variations of both irradiance and temperature. The AC-PV module proposed model is simulated and the results are compared with the datasheet projected numbers to validate model’s accuracy and effectiveness. Implementation and results demonstrate simplicity and accuracy, as well as reliability of the model.

Keywords: AC PV Module, Datasheet, Matlab/Simulink, PV modeling.

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1944 Stochastic Modeling for Parameters of Modified Car-Following Model in Area-Based Traffic Flow

Authors: N. C. Sarkar, A. Bhaskar, Z. Zheng

Abstract:

The driving behavior in area-based (i.e., non-lane based) traffic is induced by the presence of other individuals in the choice space from the driver’s visual perception area. The driving behavior of a subject vehicle is constrained by the potential leaders and leaders are frequently changed over time. This paper is to determine a stochastic model for a parameter of modified intelligent driver model (MIDM) in area-based traffic (as in developing countries). The parametric and non-parametric distributions are presented to fit the parameters of MIDM. The goodness of fit for each parameter is measured in two different ways such as graphically and statistically. The quantile-quantile (Q-Q) plot is used for a graphical representation of a theoretical distribution to model a parameter and the Kolmogorov-Smirnov (K-S) test is used for a statistical measure of fitness for a parameter with a theoretical distribution. The distributions are performed on a set of estimated parameters of MIDM. The parameters are estimated on the real vehicle trajectory data from India. The fitness of each parameter with a stochastic model is well represented. The results support the applicability of the proposed modeling for parameters of MIDM in area-based traffic flow simulation.

Keywords: Area-based traffic, car-following model, micro-simulation, stochastic modeling.

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1943 Modeling ICT Adoption Factors for the Preservation of Indigenous Knowledge

Authors: K.M. Ngcobo, S.D. Eyono Obono

Abstract:

Indigenous Knowledge (IK) has many social and economic benefits. However, IK is at the risk of extinction due to the difficulties to preserve it as most of the IK largely remains undocumented. This study aims to design a model of the factors affecting the adoption of Information and Communication Technologies (ICTs) for the preservation of IK. The proposed model is based on theoretical frameworks on ICT adoption. It was designed following a literature review of ICT adoption theories for households, and of the factors affecting ICT adoption for IK. The theory that fitted to the best all factors was then chosen as the basis for the proposed model. This study found that the Model of Adoption of Technology in Households (MATH) is the most suitable theoretical framework for modeling ICT adoption factors for the preservation of IK.

Keywords: Adoption factors, ICT adoption theories, Indigenous knowledge.

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1942 Modeling Oxygen-transfer by Multiple Plunging Jets using Support Vector Machines and Gaussian Process Regression Techniques

Authors: Surinder Deswal

Abstract:

The paper investigates the potential of support vector machines and Gaussian process based regression approaches to model the oxygen–transfer capacity from experimental data of multiple plunging jets oxygenation systems. The results suggest the utility of both the modeling techniques in the prediction of the overall volumetric oxygen transfer coefficient (KLa) from operational parameters of multiple plunging jets oxygenation system. The correlation coefficient root mean square error and coefficient of determination values of 0.971, 0.002 and 0.945 respectively were achieved by support vector machine in comparison to values of 0.960, 0.002 and 0.920 respectively achieved by Gaussian process regression. Further, the performances of both these regression approaches in predicting the overall volumetric oxygen transfer coefficient was compared with the empirical relationship for multiple plunging jets. A comparison of results suggests that support vector machines approach works well in comparison to both empirical relationship and Gaussian process approaches, and could successfully be employed in modeling oxygen-transfer.

Keywords: Oxygen-transfer, multiple plunging jets, support vector machines, Gaussian process.

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1941 Characterization and Modeling of Packet Loss of a VoIP Communication

Authors: L. Estrada, D. Torres, H. Toral

Abstract:

In this work, a characterization and modeling of packet loss of a Voice over Internet Protocol (VoIP) communication is developed. The distributions of the number of consecutive received and lost packets (namely gap and burst) are modeled from the transition probabilities of two-state and four-state model. Measurements show that both models describe adequately the burst distribution, but the decay of gap distribution for non-homogeneous losses is better fit by the four-state model. The respective probabilities of transition between states for each model were estimated with a proposed algorithm from a set of monitored VoIP calls in order to obtain representative minimum, maximum and average values for both models.

Keywords: Packet loss, gap and burst distribution, Markovchain, VoIP measurements.

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1940 Fuzzy Based Problem-Solution Data Structureas a Data Oriented Model for ABS Controlling

Authors: Ahmad Habibizad Navin, Mehdi Naghian Fesharaki, Mohamad Teshnelab, Ehsan Shahamatnia

Abstract:

The anti-lock braking systems installed on vehicles for safe and effective braking, are high-order nonlinear and timevariant. Using fuzzy logic controllers increase efficiency of such systems, but impose a high computational complexity as well. The main concept introduced by this paper is reducing computational complexity of fuzzy controllers by deploying problem-solution data structure. Unlike conventional methods that are based on calculations, this approach is based on data oriented modeling.

Keywords: ABS, Fuzzy controller, PSDS, Time-Memory tradeoff, Data oriented modeling.

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1939 Service Identification Approach to SOA Development

Authors: Nafise Fareghzadeh

Abstract:

Service identification is one of the main activities in the modeling of a service-oriented solution, and therefore errors made during identification can flow down through detailed design and implementation activities that may necessitate multiple iterations, especially in building composite applications. Different strategies exist for how to identify candidate services that each of them has its own benefits and trade offs. The approach presented in this paper proposes a selective identification of services approach, based on in depth business process analysis coupled with use cases and existing assets analysis and goal service modeling. This article clearly emphasizes the key activities need for the analysis and service identification to build a optimized service oriented architecture. In contrast to other approaches this article mentions some best practices and steps, wherever appropriate, to point out the vagueness involved in service identification.

Keywords: SOA, service identification, service taxonomy, service layer.

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1938 Stability Issues on an Implemented All-Pass Filter Circuitry

Authors: Ákos Pintér, István Dénes

Abstract:

The so-called all-pass filter circuits are commonly used in the field of signal processing, control and measurement. Being connected to capacitive loads, these circuits tend to loose their stability; therefore the elaborate analysis of their dynamic behavior is necessary. The compensation methods intending to increase the stability of such circuits are discussed in this paper, including the socalled lead-lag compensation technique being treated in detail. For the dynamic modeling, a two-port network model of the all-pass filter is being derived. The results of the model analysis show, that effective lead-lag compensation can be achieved, alone by the optimization of the circuit parameters; therefore the application of additional electric components are not needed to fulfill the stability requirement.

Keywords: all-pass filter, frequency compensation, stability, linear modeling

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1937 Control-Oriented Enhanced Zero-Dimensional Two-Zone Combustion Modelling of Internal Combustion Engines

Authors: Razieh Arian, Hadi Adibi-Asl

Abstract:

This paper investigates an efficient combustion modeling for cycle simulation of internal combustion engine (ICE) studies. The term “efficient model” means that the models must generate desired simulation results while having fast simulation time. In other words, the efficient model is defined based on the application of the model. The objective of this study is to develop math-based models for control applications or shortly control-oriented models. This study compares different modeling approaches used to model the ICEs such as mean-value models, zero dimensional, quasi-dimensional, and multi-dimensional models for control applications. Mean-value models have been widely used for model-based control applications, but recently by developing advanced simulation tools (e.g. Maple/MapleSim) the higher order models (more complex) could be considered as control-oriented models. This paper presents the enhanced zero-dimensional cycle-by-cycle modeling and simulation of a spark ignition engine with a two-zone combustion model. The simulation results are cross-validated against the simulation results from GT-Power package and show a good agreement in terms of trends and values.

Keywords: Two-zone combustion, control-oriented model, wiebe function, internal combustion engine.

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1936 An Implicit Representation of Spherical Product for Increasing the Shape Variety of Super-quadrics in Implicit Surface Modeling

Authors: Pi-Chung Hsu

Abstract:

Super-quadrics can represent a set of implicit surfaces, which can be used furthermore as primitive surfaces to construct a complex object via Boolean set operations in implicit surface modeling. In fact, super-quadrics were developed to create a parametric surface by performing spherical product on two parametric curves and some of the resulting parametric surfaces were also represented as implicit surfaces. However, because not every parametric curve can be redefined implicitly, this causes only implicit super-elliptic and super-hyperbolic curves are applied to perform spherical product and so only implicit super-ellipsoids and hyperboloids are developed in super-quadrics. To create implicit surfaces with more diverse shapes than super-quadrics, this paper proposes an implicit representation of spherical product, which performs spherical product on two implicit curves like super-quadrics do. By means of the implicit representation, many new implicit curves such as polygonal, star-shaped and rose-shaped curves can be used to develop new implicit surfaces with a greater variety of shapes than super-quadrics, such as polyhedrons, hyper-ellipsoids, superhyperboloids and hyper-toroids containing star-shaped and roseshaped major and minor circles. Besides, the newly developed implicit surfaces can also be used to define new primitive implicit surfaces for constructing a more complex implicit surface in implicit surface modeling.

Keywords: Implicit surfaces, Soft objects, Super-quadrics.

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1935 Adsorption of H2 and CO on Iron-based Catalysts for Fischer-Tropsch Synthesis

Authors: Weixin Qian, Haitao Zhang, Hongfang Ma, Yongdi Liu, Weiyong Ying, Dingye Fang

Abstract:

The adsorption properties of CO and H2 on iron-based catalyst with addition of Zr and Ni were investigated using temperature programmed desorption process. It was found that on the carburized iron-based catalysts, molecular state and dissociative state CO existed together. The addition of Zr was preferential for the molecular state adsorption of CO on iron-based catalyst and the presence of Ni was beneficial to the dissociative adsorption of CO. On H2 reduced catalysts, hydrogen mainly adsorbs on the surface iron sites and surface oxide sites. On CO reduced catalysts, hydrogen probably existed as the most stable CH and OH species. The addition of Zr was not benefit to the dissociative adsorption of hydrogen on iron-based catalyst and the presence of Ni was preferential for the dissociative adsorption of hydrogen.

Keywords: adsorption, Fischer-Tropsch synthesis, iron-based catalysts

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1934 Modeling Methodologies for Optimization and Decision Support on Coastal Transport Information System (Co.Tr.I.S.)

Authors: Vassilios Moussas, Dimos N. Pantazis, Panagiotis Stratakis

Abstract:

The aim of this paper is to present the optimization methodology developed in the frame of a Coastal Transport Information System. The system will be used for the effective design of coastal transportation lines and incorporates subsystems that implement models, tools and techniques that may support the design of improved networks. The role of the optimization and decision subsystem is to provide the user with better and optimal scenarios that will best fulfill any constrains, goals or requirements posed. The complexity of the problem and the large number of parameters and objectives involved led to the adoption of an evolutionary method (Genetic Algorithms). The problem model and the subsystem structure are presented in detail, and, its support for simulation is also discussed.

Keywords: Coastal transport, modeling, optimization.

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1933 Optimal Model Order Selection for Transient Error Autoregressive Moving Average (TERA) MRI Reconstruction Method

Authors: Abiodun M. Aibinu, Athaur Rahman Najeeb, Momoh J. E. Salami, Amir A. Shafie

Abstract:

An alternative approach to the use of Discrete Fourier Transform (DFT) for Magnetic Resonance Imaging (MRI) reconstruction is the use of parametric modeling technique. This method is suitable for problems in which the image can be modeled by explicit known source functions with a few adjustable parameters. Despite the success reported in the use of modeling technique as an alternative MRI reconstruction technique, two important problems constitutes challenges to the applicability of this method, these are estimation of Model order and model coefficient determination. In this paper, five of the suggested method of evaluating the model order have been evaluated, these are: The Final Prediction Error (FPE), Akaike Information Criterion (AIC), Residual Variance (RV), Minimum Description Length (MDL) and Hannan and Quinn (HNQ) criterion. These criteria were evaluated on MRI data sets based on the method of Transient Error Reconstruction Algorithm (TERA). The result for each criterion is compared to result obtained by the use of a fixed order technique and three measures of similarity were evaluated. Result obtained shows that the use of MDL gives the highest measure of similarity to that use by a fixed order technique.

Keywords: Autoregressive Moving Average (ARMA), MagneticResonance Imaging (MRI), Parametric modeling, Transient Error.

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1932 Evaluation of Hydrogen Particle Volume on Surfaces of Selected Nanocarbons

Authors: M. Ziółkowska, J. T. Duda, J. Milewska-Duda

Abstract:

This paper describes an approach to the adsorption phenomena modeling aimed at specifying the adsorption mechanisms on localized or nonlocalized adsorbent sites, when applied to the nanocarbons. The concept comes from the fundamental thermodynamic description of adsorption equilibrium and is based on numerical calculations of the hydrogen adsorbed particles volume on the surface of selected nanocarbons: single-walled nanotube and nanocone. This approach enables to obtain information on adsorption mechanism and then as a consequence to take appropriate mathematical adsorption model, thus allowing for a more reliable identification of the material porous structure. Theoretical basis of the approach is discussed and newly derived results of the numerical calculations are presented for the selected nanocarbons.

Keywords: Adsorption, mathematical modeling, nanocarbons, numerical analysis.

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