Search results for: Computational modelling and simulation

Authors: E. Ramprasath, P. Manojkumar, P. Veena

Abstract:

Proposed paper dealt with the modelling and analysis of induction motor based on the mathematical expression using the graphical programming environment of Laboratory Virtual Instrument Engineering Workbench (LabVIEW). Induction motor modelling with the mathematical expression enables the motor to be simulated with the various required parameters. Owing to the invention of variable speed drives study about the induction motor characteristics became complex. In this simulation motor internal parameter such as stator resistance and reactance, rotor resistance and reactance, phase voltage, frequency and losses will be given as input. By varying the speed of motor corresponding parameters can be obtained they are input power, output power, efficiency, torque induced, slip and current.

Keywords: Induction motor, LabVIEW software, modelling and analysis, electrical and mechanical characteristics of motor.

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Authors: Shreya Thusoo, Karan Modi, Ankit Kumar Jha, Rajesh Kumar

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Since the evolution of computational tools and simulation software, there has been considerable increase in research on Soil Structure Interaction (SSI) to decrease the computational time and increase accuracy in the results. To aid the designer with a proper understanding of the response of structure in different soil types, the presented paper compares the deformation, shear stress, acceleration and other parameters of multi-storey building for a specific input ground motion using Response-spectrum Analysis (RSA) method. The response of all the models of different heights have been compared in different soil types. Finite Element Simulation software, ANSYS, has been used for all the computational purposes. Overall, higher response is observed with SSI, while it increases with decreasing stiffness of soil.

Keywords: Soil-structure interaction, response-spectrum analysis, finite element method, multi-storey buildings.

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Authors: Dominic Wentworth-Linton, Shian Gao

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This project was aimed at investigating the effect of velocity stacks on the intakes of internal combustion engines for motorsport applications. The intake systems in motorsport are predominantly fuel injection with a plate mounted for the stacks. Using Computational Fluid Dynamics software, the relationship between the stack length and power and torque delivery across the engine’s rev range was investigated and the results were used to choose the best option for its intended motorsport discipline. The test results are expected to vary with engine geometry and its natural manufacturer characteristics. The test was also relevant in bridging between computational data and real simulation as the results show flow, pressure and velocity readings but the behaviour of the engine is inferred from the nature of each test. The results of the data analysis were tested in a real-life simulation on a dynamometer to prove the theory of stack length on power and torque delivery, which helps determine the most suitable stack for the Vauxhall engine for rallying in the Caribbean.

Keywords: CFD simulation, internal combustion engine, intake system, dynamometer test.

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Authors: G. A. Khalid, M. D. Jones, R. Prabhu, A. Mason-Jones, W. Whittington, H. Bakhtiarydavijani, P. S. Theobald

Abstract:

Head injury in childhood is a common cause of death or permanent disability from injury. However, despite its frequency and significance, there is little understanding of how a child’s head responds during injurious loading. Whilst Infant Post Mortem Human Subject (PMHS) experimentation is a logical approach to understand injury biomechanics, it is the authors’ opinion that a lack of subject availability is hindering potential progress. Computer modelling adds great value when considering adult populations; however, its potential remains largely untapped for infant surrogates. The complexities of child growth and development, which result in age dependent changes in anatomy, geometry and physical response characteristics, present new challenges for computational simulation. Further geometric challenges are presented by the intricate infant cranial bones, which are separated by sutures and fontanelles and demonstrate a visible fibre orientation. This study presents an FE model of a newborn infant’s head, developed from high-resolution computer tomography scans, informed by published tissue material properties. To mimic the fibre orientation of immature cranial bone, anisotropic properties were applied to the FE cranial bone model, with elastic moduli representing the bone response both parallel and perpendicular to the fibre orientation. Biofiedility of the computational model was confirmed by global validation against published PMHS data, by replicating experimental impact tests with a series of computational simulations, in terms of head kinematic responses. Numerical results confirm that the FE head model’s mechanical response is in favourable agreement with the PMHS drop test results.

Keywords: Finite element analysis, impact simulation, infant head trauma, material properties, post mortem human subjects.

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Authors: D. Šedivý, S. Fialová

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The main purpose of this study is to show differences between the numerical solution of the flow through the artificial heart valve using Newtonian or non-Newtonian fluid. The simulation was carried out by a commercial computational fluid dynamics (CFD) package based on finite-volume method. An aortic bileaflet heart valve (Sorin Bicarbon) was used as a pattern for model of real heart valve replacement. Computed tomography (CT) was used to gain the accurate parameters of the valve. Data from CT were transferred in the commercial 3D designer, where the model for CFD was made. Carreau rheology model was applied as non-Newtonian fluid. Physiological data of cardiac cycle were used as boundary conditions. Outputs were taken the leaflets excursion from opening to closure and the fluid dynamics through the valve. This study also includes experimental measurement of pressure fields in ambience of valve for verification numerical outputs. Results put in evidence a favorable comparison between the computational solutions of flow through the mechanical heart valve using Newtonian and non-Newtonian fluid.

Keywords: Computational modeling, dynamic mesh, mechanical heart valve, non-Newtonian fluid, SDOF.

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Authors: Yogesh D. Bansod, Jiri Bursa

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The quantitative study of cell mechanics is of paramount interest, since it regulates the behaviour of the living cells in response to the myriad of extracellular and intracellular mechanical stimuli. The novel experimental techniques together with robust computational approaches have given rise to new theories and models, which describe cell mechanics as combination of biomechanical and biochemical processes. This review paper encapsulates the existing continuum-based computational approaches that have been developed for interpreting the mechanical responses of living cells under different loading and boundary conditions. The salient features and drawbacks of each model are discussed from both structural and biological points of view. This discussion can contribute to the development of even more precise and realistic computational models of cell mechanics based on continuum approaches or on their combination with microstructural approaches, which in turn may provide a better understanding of mechanotransduction in living cells.

Keywords: Cell mechanics, computational models, continuum approach, mechanical models.

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Authors: M. Behbahani-Nejad, A. Bagheri

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An efficient transient flow simulation for gas pipelines and networks is presented. The proposed transient flow simulation is based on the transfer function models and MATLABSimulink. The equivalent transfer functions of the nonlinear governing equations are derived for different types of the boundary conditions. Next, a MATLAB-Simulink library is developed and proposed considering any boundary condition type. To verify the accuracy and the computational efficiency of the proposed simulation, the results obtained are compared with those of the conventional finite difference schemes (such as TVD, method of lines, and other finite difference implicit and explicit schemes). The effects of the flow inertia and the pipeline inclination are incorporated in this simulation. It is shown that the proposed simulation has a sufficient accuracy and it is computationally more efficient than the other methods.

Keywords: Gas network, MATLAB-Simulink, transfer functions, transient flow.

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Authors: Susmita Sahoo, Madhumanti Datta, Rajib Kar

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Fast delay estimation methods, as opposed to simulation techniques, are needed for incremental performance driven layout synthesis. On-chip inductive effects are becoming predominant in deep submicron interconnects due to increasing clock speed and circuit complexity. Inductance causes noise in signal waveforms, which can adversely affect the performance of the circuit and signal integrity. Several approaches have been put forward which consider the inductance for on-chip interconnect modelling. But for even much higher frequency, of the order of few GHz, the shunt dielectric lossy component has become comparable to that of other electrical parameters for high speed VLSI design. In order to cope up with this effect, on-chip interconnect has to be modelled as distributed RLCG line. Elmore delay based methods, although efficient, cannot accurately estimate the delay for RLCG interconnect line. In this paper, an accurate analytical delay model has been derived, based on first and second moments of RLCG interconnection lines. The proposed model considers both the effect of inductance and conductance matrices. We have performed the simulation in 0.18μm technology node and an error of as low as less as 5% has been achieved with the proposed model when compared to SPICE. The importance of the conductance matrices in interconnect modelling has also been discussed and it is shown that if G is neglected for interconnect line modelling, then it will result an delay error of as high as 6% when compared to SPICE.

Keywords: Delay Modelling; On-Chip Interconnect; RLCGInterconnect; Ramp Input; Damping; VLSI

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Authors: Konstantinos C. Giotopoulos, Christos E. Alexakos, Grigorios N. Beligiannis, Spiridon D.Likothanassis

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In this contribution a newly developed elearning environment is presented, which incorporates Intelligent Agents and Computational Intelligence Techniques. The new e-learning environment is constituted by three parts, the E-learning platform Front-End, the Student Questioner Reasoning and the Student Model Agent. These parts are distributed geographically in dispersed computer servers, with main focus on the design and development of these subsystems through the use of new and emerging technologies. These parts are interconnected in an interoperable way, using web services for the integration of the subsystems, in order to enhance the user modelling procedure and achieve the goals of the learning process.

Keywords: E-learning environments, intelligent agents, user modeling, Bayesian Networks, computational intelligence.

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Authors: Sh. Shahhosseini, S. Alinia, M. Irani

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In this paper 2D Simulation of catalytic Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL technology has been performed utilizing computational fluid dynamics (CFD). Synthesis gas (a mixture of carbon monoxide and hydrogen) has been used as feedstock. The reactor was modeled and the model equations were solved employing finite volume method. The model was validated against the experimental data reported in literature. The comparison showed a good agreement between simulation results and the experimental data. In addition, the model was applied to predict the concentration contours of the reactants and products along the length of reactor.

Keywords: GTL, Fischer–Tropsch synthesis, Fixed Bed Reactor, CFD simulation.

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Authors: C. Patrascioiu, M. Jamali

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The paper deals with the simulation of the crude distillation process using the Unisim Design simulator. The necessity of simulating this process is argued both by considerations related to the design of the crude distillation column, but also by considerations related to the design of advanced control systems. In order to use the Unisim Design simulator to simulate the crude distillation process, the identification of the simulators used in Romania and an analysis of the PRO/II, HYSYS, and Aspen HYSYS simulators were carried out. Analysis of the simulators for the crude distillation process has allowed the authors to elaborate the conclusions of the success of the crude modelling. A first aspect developed by the authors is the implementation of specific problems of petroleum liquid-vapors equilibrium using Unisim Design simulator. The second major element of the article is the development of the methodology and the elaboration of the simulation program for the crude distillation process, using Unisim Design resources. The obtained results validate the proposed methodology and will allow dynamic simulation of the process.  

Keywords: Crude oil, distillation, simulation, Unisim Design, simulators.

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Authors: Jeong-Hwan Choi, Hyo-Sang Park, Tae-Hyung Lee

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The transmission tower is one of the crucial lifeline structures in a modern society, and it needs to be protected against extreme loading conditions. However, the transmission tower is a very complex structure and, therefore, it is very difficult to simulate the actual damage and the collapse behavior of the tower structure. In this study, the actual collapse behavior of the transmission tower due to lateral loading conditions such as wind load is evaluated through the computational simulation. For that, a progressive collapse procedure is applied to the simulation. In this procedure, after running the simulation, if a member of the tower structure fails, the failed member is removed and the simulation run again. The 154kV transmission tower is selected for this study. The simulation is performed by nonlinear static analysis procedure, namely pushover analysis, using OpenSEES, an earthquake simulation platform. Three-dimensional finite element models of those towers are developed.

Keywords: Transmission tower, OpenSEES, pushover analysis, progressive collapse.

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Authors: Gonzalo Rubio, Eusebio Valero, Sven Lanzan

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The design of a modern aircraft is based on three pillars: theoretical results, experimental test and computational simulations. As a results of this, Computational Fluid Dynamic (CFD) solvers are widely used in the aeronautical field. These solvers require the correct selection of many parameters in order to obtain successful results. Besides, the computational time spent in the simulation depends on the proper choice of these parameters. In this paper we create an expert system capable of making an accurate prediction of the number of iterations and time required for the convergence of a computational fluid dynamic (CFD) solver. Artificial neural network (ANN) has been used to design the expert system. It is shown that the developed expert system is capable of making an accurate prediction the number of iterations and time required for the convergence of a CFD solver.

Keywords: Artificial Neural Network, Computational Fluid Dynamics, Optimization

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Authors: A. Shebani, C. Pislaru

Abstract:

The wear measuring and wear modelling are fundamental issues in the industrial field, mainly correlated to the economy and safety. Therefore, there is a need to study the wear measurements and wear estimation. Pin-on-disc test is the most common test which is used to study the wear behaviour. In this paper, the pin-on-disc (AEROTECH UNIDEX 11) is used for the investigation of the effects of normal load and hardness of material on the wear under dry and sliding conditions. In the pin-on-disc rig, two specimens were used; one, a pin is made of steel with a tip, positioned perpendicular to the disc, where the disc is made of aluminium. The pin wear and disc wear were measured by using the following instruments: The Talysurf instrument, a digital microscope, and the alicona instrument. The Talysurf profilometer was used to measure the pin/disc wear scar depth, digital microscope was used to measure the diameter and width of wear scar, and the alicona was used to measure the pin wear and disc wear. After that, the Archard model, American Society for Testing and Materials model (ASTM), and neural network model were used for pin/disc wear modelling. Simulation results were implemented by using the Matlab program. This paper focuses on how the alicona can be used for wear measurements and how the neural network can be used for wear estimation.

Keywords: Wear measuring, Wear modelling, Neural Network, Alicona.

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Authors: Sherine Beshara, Khaled S. El-Kilany, Noha M. Galal

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Supply chain management has become more challenging with the emerging trend of globalization and sustainability. Lately, research related to perishable products supply chains, in particular agricultural food products, has emerged. This is attributed to the additional complexity of managing this type of supply chains with the recently increased concern of public health, food quality, food safety, demand and price variability, and the limited lifetime of these products. Inventory management for agrifood supply chains is of vital importance due to the product perishability and customers- strive for quality. This paper concentrates on developing a simulation model of a real life case study of a two echelon production-distribution system for agri-food products. The objective is to improve a set of performance measures by developing a simulation model that helps in evaluating and analysing the performance of these supply chains. Simulation results showed that it can help in improving overall system performance.

Keywords: Agri-food supply chains, inventory model, modelling and Simulation, supply chain.

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Authors: Werner Sandmann, Verena Wolf

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Stochastic models of biological networks are well established in systems biology, where the computational treatment of such models is often focused on the solution of the so-called chemical master equation via stochastic simulation algorithms. In contrast to this, the development of storage-efficient model representations that are directly suitable for computer implementation has received significantly less attention. Instead, a model is usually described in terms of a stochastic process or a "higher-level paradigm" with graphical representation such as e.g. a stochastic Petri net. A serious problem then arises due to the exponential growth of the model-s state space which is in fact a main reason for the popularity of stochastic simulation since simulation suffers less from the state space explosion than non-simulative numerical solution techniques. In this paper we present transition class models for the representation of biological network models, a compact mathematical formalism that circumvents state space explosion. Transition class models can also serve as an interface between different higher level modeling paradigms, stochastic processes and the implementation coded in a programming language. Besides, the compact model representation provides the opportunity to apply non-simulative solution techniques thereby preserving the possible use of stochastic simulation. Illustrative examples of transition class representations are given for an enzyme-catalyzed substrate conversion and a part of the bacteriophage λ lysis/lysogeny pathway.

Keywords: Computational Modeling, Biological Networks, Stochastic Models, Markov Chains, Transition Class Models.

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Authors: M. Cermak, T. Karasek, J. Rojicek

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The key role in phenomenological modelling of cyclic plasticity is good understanding of stress-strain behaviour of given material. There are many models describing behaviour of materials using numerous parameters and constants. Combination of individual parameters in those material models significantly determines whether observed and predicted results are in compliance. Parameter identification techniques such as random gradient, genetic algorithm and sensitivity analysis are used for identification of parameters using numerical modelling and simulation. In this paper genetic algorithm and sensitivity analysis are used to study effect of 4 parameters of modified AbdelKarim-Ohno cyclic plasticity model. Results predicted by Finite Element (FE) simulation are compared with experimental data from biaxial ratcheting test with semi-elliptical loading path.

Keywords: Genetic algorithm, sensitivity analysis, inverse approach, finite element method, cyclic plasticity, ratcheting.

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Authors: Adesoji T. Jaiyeola, Josiah Adeyemo

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This paper presents an extensive review of literature relevant to the modelling techniques adopted in sediment yield and hydrological modelling. Several studies relating to sediment yield are discussed. Many research areas of sedimentation in rivers, runoff and reservoirs are presented. Different types of hydrological models, different methods employed in selecting appropriate models for different case studies are analysed. Applications of evolutionary algorithms and artificial intelligence techniques are discussed and compared especially in water resources management and modelling. This review concentrates on Genetic Programming (GP) and fully discusses its theories and applications. The successful applications of GP as a soft computing technique were reviewed in sediment modelling. Some fundamental issues such as benchmark, generalization ability, bloat, over-fitting and other open issues relating to the working principles of GP are highlighted. This paper concludes with the identification of some research gaps in hydrological modelling and sediment yield.

Keywords: Artificial intelligence, evolutionary algorithm, genetic programming, sediment yield.

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Authors: Csaba Tóth, Éva Lakatos, László Pethő, Seoyoung Cho

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The temperature effect on asphalt pavement structure is a crucial factor at the design stage. In this paper, by applying the German guidelines for temperature along the asphalt depth is estimated. The aim is to consider temperature profiles in different seasons in numerical modelling. The model is built with an elastic and isotropic solid element with 19 subdivisions of asphalt layers to reflect the temperature variation. Comparison with the simple three-layer pavement system (asphalt layers, base, and subgrade layers) will be followed to see the difference in result without temperature variation along with the depth. Finally, the fatigue life calculation was checked to prove the validity of the methodology of considering the temperature in the numerical modelling.

Keywords: Temperature profile, flexible pavement modelling, finite element method, temperature modelling.

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Authors: A. W. J. Wong, I. H. Ibrahim

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Increasing urbanisation has driven building designers to incorporate natural ventilation in the designs of sustainable buildings. This project utilises Computational Fluid Dynamics (CFD) to investigate the natural ventilation of an academic building, SIT@SP, using an assessment criterion based on daily mean temperature and mean velocity. The areas of interest are the pedestrian level of first and fourth levels of the building. A reference case recommended by the Architectural Institute of Japan was used to validate the simulation model. The validated simulation model was then used for coupled simulations on SIT@SP and neighbouring geometries, under two wind speeds. Both steady and transient simulations were used to identify differences in results. Steady and transient results are agreeable with the transient simulation identifying peak velocities during flow development. Under a lower wind speed, the first level was sufficiently ventilated while the fourth level was not. The first level has excessive wind velocities in the higher wind speed and the fourth level was adequately ventilated. Fourth level flow velocity was consistently lower than those of the first level. This is attributed to either simulation model error or poor building design. SIT@SP is concluded to have a sufficiently ventilated first level and insufficiently ventilated fourth level. Future works for this project extend to modifying the urban geometry, simulation model improvements, evaluation using other assessment metrics and extending the area of interest to the entire building.

Keywords: Buildings, CFD simulation, natural ventilation, urban airflow.

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

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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: M. Hossein Ghadiri, Mohd Farid Mohamed, N. Lukman N. Ibrahim

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Wind catchers are traditional natural ventilation systems attached to buildings in order to ventilate the indoor air. The most common type of wind catcher is four sided one which is capable to catch wind in all directions. CFD simulation is the perfect way to evaluate the wind catcher performance. The accuracy of CFD results is the issue of concern, so sensitivity analyses is crucial to find out the effect of different settings of CFD on results. This paper presents a series of 3D steady RANS simulations for a generic isolated four-sided wind catcher attached to a room subjected to wind direction ranging from 0º to 180º with an interval of 45º. The CFD simulations are validated with detailed wind tunnel experiments. The influence of an extensive range of computational parameters is explored in this paper, including the resolution of the computational grid, the size of the computational domain and the turbulence model. This study found that CFD simulation is a reliable method for wind catcher study, but it is less accurate in prediction of models with non perpendicular wind directions.

Keywords: Wind catcher, CFD, natural ventilation, sensitivity study.

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Authors: Razieh Arian, Hadi Adibi-Asl

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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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Authors: P. Vazan, P. Tanuska

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The paper provides the basic overview of simulation optimization. The procedure of its practical using is demonstrated on the real example in simulator Witness. The simulation optimization is presented as a good tool for solving many problems in real praxis especially in production systems. The authors also characterize their own experiences and they mention the strengths and weakness of simulation optimization.

Keywords: discrete event simulation, simulation optimization, Witness

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Authors: Raza Abdulla Saeed

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In this study, the three-dimensional cavitating turbulent flow in a complete Francis turbine is simulated using mixture model for cavity/liquid two-phase flows. Numerical analysis is carried out using ANSYS CFX software release 12, and standard k-ε turbulence model is adopted for this analysis. The computational fluid domain consist of spiral casing, stay vanes, guide vanes, runner and draft tube. The computational domain is discretized with a threedimensional mesh system of unstructured tetrahedron mesh. The finite volume method (FVM) is used to solve the governing equations of the mixture model. Results of cavitation on the runner’s blades under three different boundary conditions are presented and discussed. From the numerical results it has been found that the numerical method was successfully applied to simulate the cavitating two-phase turbulent flow through a Francis turbine, and also cavitation is clearly predicted in the form of water vapor formation inside the turbine. By comparison the numerical prediction results with a real runner; it’s shown that the region of higher volume fraction obtained by simulation is consistent with the region of runner cavitation damage.

Keywords: Computational Fluid Dynamics, Hydraulic Francis Turbine, Numerical Simulation, Two-Phase Mixture Cavitation Model.

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Authors: Yusuf S. Dambatta, Ahmed A. D. Sarhan

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Fused deposition modelling (FDM) is one of the most prominent rapid prototyping (RP) technologies which is being used to efficiently fabricate CAD 3D geometric models. However, the process is coupled with many drawbacks, of which the surface quality of the manufactured RP parts is among. Hence, studies relating to improving the surface roughness have been a key issue in the field of RP research. In this work, a technique of modelling the surface roughness in FDM is presented. Using experimentally measured surface roughness response of the FDM parts, an ANFIS prediction model was developed to obtain the surface roughness in the FDM parts using the main critical process parameters that affects the surface quality. The ANFIS model was validated and compared with experimental test results.

Keywords: Surface roughness, fused deposition modelling, adaptive neuro fuzzy inference system, ANFIS, orientation.

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Authors: S. Kulsri, M. Jaroensutasinee, K. Jaroensutasinee

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We developed a method based on quasi-molecular modelling to simulate the fall of water drops on horizontally smooth and rough surfaces. Each quasi-molecule was a group of particles that interacted in a fashion entirely analogous to classical Newtonian molecular interactions. When a falling water droplet was simulated at low impact velocity on both smooth and rough surfaces, the droplets moved periodically (i.e. the droplets moved up and down for a certain period, finally they stopped moving and reached a steady state), spreading and recoiling without splash or break-up. Spreading rates of falling water droplets increased rapidly as time increased until the spreading rate reached its steady state at time t ~ 0.25 s for rough surface and t ~ 0.40 s for smooth surface. The droplet height above both surfaces decreased as time increased, remained constant after the droplet diameter attained a maximum value and reached its steady state at time t ~ 0.4 s. However, rough surface had higher spreading rates of falling water droplets and lower height on the surface than smooth one.

Keywords: Quasi-molecular modelling, particle modelling, molecular aggregate approach.

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Authors: M. Habchi, S.M. Mesli, M. Kotbi

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The Reverse Monte Carlo (RMC) simulation is applied in the study of an aqueous electrolyte LiCl6H2O. On the basis of the available experimental neutron scattering data, RMC computes pair radial distribution functions in order to explore the structural features of the system. The obtained results include some unrealistic features. To overcome this problem, we use the Hybrid Reverse Monte Carlo (HRMC), incorporating an energy constraint in addition to the commonly used constraints derived from experimental data. Our results show a good agreement between experimental and computed partial distribution functions (PDFs) as well as a significant improvement in pair partial distribution curves. This kind of study can be considered as a useful test for a defined interaction model for conventional simulation techniques.

Keywords: RMC simulation, HRMC simulation, energy constraint, screened potential, glassy state, liquid state, partial distribution function, pair partial distribution function.

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Authors: Alicia Y. C. Tang, Rukaini Hj. Abdullah, Sharifuddin M. Zain

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This paper discusses the development of a qualitative simulator (abbreviated QRiOM) for predicting the behaviour of organic chemical reactions. The simulation technique is based on the qualitative process theory (QPT) ontology. The modelling constructs of QPT embody notions of causality which can be used to explain the behaviour of a chemical system. The major theme of this work is that, in a qualitative simulation environment, students are able to articulate his/her knowledge through the inspection of explanations generated by software. The implementation languages are Java and Prolog. The software produces explanation in various forms that stresses on the causal theories in the chemical system which can be effectively used to support learning.

Keywords: Chemical reactions, explanation, qualitative processtheory, simulation

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Authors: Taher M. Abou-deif, Mahmoud A. Fouad, Essam E. Khalil

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The present paper was concerned primarily with the analysis, simulation of the air flow and thermal patterns in a lecture room. The paper is devoted to numerically investigate the influence of location and number of ventilation and air conditioning supply and extracts openings on air flow properties in a lecture room. The work focuses on air flow patterns, thermal behaviour in lecture room where large number of students. The effectiveness of an air flow system is commonly assessed by the successful removal of sensible and latent loads from occupants with additional of attaining air pollutant at a prescribed level to attain the human thermal comfort conditions and to improve the indoor air quality; this is the main target during the present paper. The study is carried out using computational fluid dynamics (CFD) simulation techniques as embedded in the commercially available CFD code (FLUENT 6.2). The CFD modelling techniques solved the continuity, momentum and energy conservation equations in addition to standard k – ε model equations for turbulence closure. Throughout the investigations, numerical validation is carried out by way of comparisons of numerical and experimental results. Good agreement is found among both predictions.

Keywords: Air Conditioning, CFD, Lecture Rooms, Thermal Comfort

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