Search results for: Computational modelling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1671

Search results for: Computational modelling

1581 3D Shape Modelling of Left Ventricle: Towards Correlation of Myocardial Scintigraphy Data and Coronarography Result

Authors: A. Ben Abdallah, H. Essabbah, M. H. Bedoui

Abstract:

The myocardial sintigraphy is an imaging modality which provides functional informations. Whereas, coronarography modality gives useful informations about coronary arteries anatomy. In case of coronary artery disease (CAD), the coronarography can not determine precisely which moderate lesions (artery reduction between 50% and 70%), known as the “gray zone", are haemodynamicaly significant. In this paper, we aim to define the relationship between the location and the degree of the stenosis in coronary arteries and the observed perfusion on the myocardial scintigraphy. This allows us to model the impact evolution of these stenoses in order to justify a coronarography or to avoid it for patients suspected being in the gray zone. Our approach is decomposed in two steps. The first step consists in modelling a coronary artery bed and stenoses of different location and degree. The second step consists in modelling the left ventricle at stress and at rest using the sphercical harmonics model and myocardial scintigraphic data. We use the spherical harmonics descriptors to analyse left ventricle model deformation between stress and rest which permits us to conclude if ever an ischemia exists and to quantify it.

Keywords: Spherical harmonics model, vascular bed, 3D reconstruction, left ventricle, myocardial scintigraphy.

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1580 Business Domain Modelling Using an Integrated Framework

Authors: Mohammed Salahat, Steve Wade

Abstract:

This paper presents an application of a “Systematic Soft Domain Driven Design Framework” as a soft systems approach to domain-driven design of information systems development. The framework use SSM as a guiding methodology within which we have embedded a sequence of design tasks based on the UML leading to the implementation of a software system using the Naked Objects framework. This framework have been used in action research projects that have involved the investigation and modelling of business processes using object-oriented domain models and the implementation of software systems based on those domain models. Within this framework, Soft Systems Methodology (SSM) is used as a guiding methodology to explore the problem situation and to develop the domain model using UML for the given business domain. The framework is proposed and evaluated in our previous works, and a real case study “Information Retrieval System for academic research” is used, in this paper, to show further practice and evaluation of the framework in different business domain. We argue that there are advantages from combining and using techniques from different methodologies in this way for business domain modelling. The framework is overviewed and justified as multimethodology using Mingers multimethodology ideas.

Keywords: SSM, UML, domain-driven design, soft domaindriven design, naked objects, soft language, information retrieval, multimethodology.

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1579 Big Data Analytics and Data Security in the Cloud via Fully Homomorphic Encryption

Authors: Victor Onomza Waziri, John K. Alhassan, Idris Ismaila, Moses Noel Dogonyaro

Abstract:

This paper describes the problem of building secure computational services for encrypted information in the Cloud Computing without decrypting the encrypted data; therefore, it meets the yearning of computational encryption algorithmic aspiration model that could enhance the security of big data for privacy, confidentiality, availability of the users. The cryptographic model applied for the computational process of the encrypted data is the Fully Homomorphic Encryption Scheme. We contribute a theoretical presentations in a high-level computational processes that are based on number theory and algebra that can easily be integrated and leveraged in the Cloud computing with detail theoretic mathematical concepts to the fully homomorphic encryption models. This contribution enhances the full implementation of big data analytics based cryptographic security algorithm.

Keywords: Data Analytics, Security, Privacy, Bootstrapping, and Fully Homomorphic Encryption Scheme.

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1578 Dislocation Modelling of the 1997-2009 High-Precision Global Positioning System Displacements in Darjiling- Sikkim Himalaya, India

Authors: Kutubuddin Ansari, Malay Mukul, Sridevi Jade

Abstract:

We used high-precision Global Positioning System (GPS) to geodetically constrain the motion of stations in the Darjiling-Sikkim Himalayan (DSH) wedge and examine the deformation at the Indian-Tibetan plate boundary using IGS (International GPS Service) fiducial stations. High-precision GPS based displacement and velocity field was measured in the DSH between 1997 and 2009. To obtain additional insight north of the Indo-Tibetan border and in the Darjiling-Sikkim-Tibet (DaSiT) wedge, published velocities from four stations J037, XIGA, J029 and YADO were also included in the analysis. India-fixed velocities or the back-slip was computed relative to the pole of rotation of the Indian Plate (Latitude 52.97 ± 0.22º, Longitude - 0.30 ± 3.76º, and Angular Velocity 0.500 ± 0.008º/ Myr) in the DaSiT wedge. Dislocation modelling was carried out with the back-slip to model the best possible solution of a finite rectangular dislocation or the causative fault based on dislocation theory that produced the observed back-slip using a forward modelling approach. To find the best possible solution, three different models were attempted. First, slip along a single thrust fault, then two thrust faults and in finally, three thrust faults were modelled to simulate the back-slip in the DaSiT wedge. The three-fault case bests the measured displacements and is taken as the best possible solution.

Keywords: Global Positioning System, Darjiling-Sikkim Himalaya, Dislocation modelling.

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1577 CFD Simulation of the Hydrodynamic Vibrator for Stuck - Pipe Liquidation

Authors: L. Grinis, V. Haslavsky

Abstract:

Stuck-pipe in drilling operations is one of the most pressing and expensive problems in the oil industry. This paper describes a computational simulation and an experimental study of the hydrodynamic vibrator, which may be used for liquidation of stuck-pipe problems during well drilling. The work principle of the vibrator is based upon the known phenomena of Vortex Street of Karman and the resulting generation of vibrations. We will discuss the computational simulation and experimental investigations of vibrations in this device. The frequency of the vibration parameters has been measured as a function of the wide range Reynolds Number. The validity of the computational simulation and of the assumptions on which it is based has been proved experimentally. The computational simulation of the vibrator work and its effectiveness was carried out using FLUENT software. The research showed high degree of congruence with the results of the laboratory tests and allowed to determine the effect of the granular material features upon the pipe vibration in the well. This study demonstrates the potential of using the hydrodynamic vibrator in a well drilling system.

Keywords: Drilling, stuck-pipe, vibration, vortex shedding.

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1576 Virtual Mechanical Engineering Education – A Case Study

Authors: S. H. R. Lo

Abstract:

Virtual engineering technology has undergone rapid progress in recent years and is being adopted increasingly by manufacturing companies of many engineering disciplines. There is an increasing demand from industry for qualified virtual engineers. The qualified virtual engineers should have the ability of applying engineering principles and mechanical design methods within the commercial software package environment. It is a challenge to the engineering education in universities which traditionally tends to lack the integration of knowledge and skills required for solving real world problems. In this paper, a case study shows some recent development of a MSc Mechanical Engineering course at Department of Engineering and Technology in MMU, and in particular, two units Simulation of Mechanical Systems(SMS) and Computer Aided Fatigue Analysis(CAFA) that emphasize virtual engineering education and promote integration of knowledge acquisition, skill training and industrial application.

Keywords: Computational modelling and simulation, mechanical engineering education.

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1575 Numerical Modelling of Surface Waves Generated by Low Frequency Electromagnetic Field for Silicon Refinement Process

Authors: V. Geza, J. Vencels, G. Zageris, S. Pavlovs

Abstract:

One of the most perspective methods to produce SoG-Si is refinement via metallurgical route. The most critical part of this route is refinement from boron and phosphorus. Therefore, a new approach could address this problem. We propose an approach of creating surface waves on silicon melt’s surface in order to enlarge its area and accelerate removal of boron via chemical reactions and evaporation of phosphorus. A two dimensional numerical model is created which includes coupling of electromagnetic and fluid dynamic simulations with free surface dynamics. First results show behaviour similar to experimental results from literature.

Keywords: Numerical modelling, silicon refinement, surface waves, VOF method.

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1574 Investigation of the Physical Computing in Computational Thinking Practices, Computer Programming Concepts and Self-Efficacy for Crosscutting Ideas in STEM Content Environments

Authors: Sarantos Psycharis

Abstract:

Physical Computing, as an instructional model, is applied in the framework of the Engineering Pedagogy to teach “transversal/cross-cutting ideas” in a STEM content approach. Labview and Arduino were used in order to connect the physical world with real data in the framework of the so called Computational Experiment. Tertiary prospective engineering educators were engaged during their course and Computational Thinking (CT) concepts were registered before and after the intervention across didactic activities using validated questionnaires for the relationship between self-efficacy, computer programming, and CT concepts when STEM content epistemology is implemented in alignment with the Computational Pedagogy model. Results show a significant change in students’ responses for self-efficacy for CT before and after the instruction. Results also indicate a significant relation between the responses in the different CT concepts/practices. According to the findings, STEM content epistemology combined with Physical Computing should be a good candidate as a learning and teaching approach in university settings that enhances students’ engagement in CT concepts/practices.

Keywords: STEM, computational thinking, physical computing, Arduino, Labview, self-efficacy.

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1573 Modelling Sudoku Puzzles as Block-world Problems

Authors: Cecilia Nugraheni, Luciana Abednego

Abstract:

Sudoku is a kind of logic puzzles. Each puzzle consists of a board, which is a 9×9 cells, divided into nine 3×3 subblocks and a set of numbers from 1 to 9. The aim of this puzzle is to fill in every cell of the board with a number from 1 to 9 such that in every row, every column, and every subblock contains each number exactly one. Sudoku puzzles belong to combinatorial problem (NP complete). Sudoku puzzles can be solved by using a variety of techniques/algorithms such as genetic algorithms, heuristics, integer programming, and so on. In this paper, we propose a new approach for solving Sudoku which is by modelling them as block-world problems. In block-world problems, there are a number of boxes on the table with a particular order or arrangement. The objective of this problem is to change this arrangement into the targeted arrangement with the help of two types of robots. In this paper, we present three models for Sudoku. We modellized Sudoku as parameterized multi-agent systems. A parameterized multi-agent system is a multi-agent system which consists of several uniform/similar agents and the number of the agents in the system is stated as the parameter of this system. We use Temporal Logic of Actions (TLA) for formalizing our models.

Keywords: Sudoku puzzle, block world problem, parameterized multi agent systems modelling, Temporal Logic of Actions.

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1572 Equivalent Circuit Modelling of Active Reflectarray Antenna

Authors: M. Y. Ismail, M. Inam

Abstract:

This paper presents equivalent circuit modeling of active planar reflectors which can be used for the detailed analysis and characterization of reflector performance in terms of lumped components. Equivalent circuit representation has been proposed for PIN diodes and liquid crystal based active planar reflectors designed within X-band frequency range. A very close agreement has been demonstrated between equivalent circuit results, 3D EM simulated results as well as measured scattering parameter results. In the case of measured results, a maximum discrepancy of 1.05dB was observed in the reflection loss performance, which can be attributed to the losses occurred during measurement process.

Keywords: Equivalent circuit modelling, planar reflectors, reflectarray antenna, PIN diode, liquid crystal.

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1571 Design Modelling Control and Simulation of DC/DC Power Buck Converter

Authors: H. Abaali

Abstract:

The power buck converter is the most widely used DC/DC converter topology. They have a very large application area such as DC motor drives, photovoltaic power system which require fast transient responses and high efficiency over a wide range of load current. This work proposes, the modelling of DC/DC power buck converter using state-space averaging method and the current-mode control using a proportional-integral controller. The efficiency of the proposed model and control loop are evaluated with operating point changes. The simulation results proved the effectiveness of the linear model of DC/DC power buck converter.

Keywords: DC/DC power buck converter, Linear current control, State-space averaging method.

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1570 Experimental and Computational Analysis of Hygrothermal Performance of an Interior Thermal Insulation System

Authors: Z. Pavlík, J. Kočí, M. Pavlíková, R. Černý

Abstract:

Combined experimental and computational analysis of hygrothermal performance of an interior thermal insulation system applied on a brick wall is presented in the paper. In the experimental part, the functionality of the insulation system is tested at simulated difference climate conditions using a semi-scale device. The measured temperature and relative humidity profiles are used for the calibration of computer code HEMOT that is finally applied for a long-term hygrothermal analysis of the investigated structure.

Keywords: Additional thermal insulation, hygrothermal analysis, semi-scale testing, long-term computational analysis

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1569 Thermal Modelling and Experimental Comparison for a Moving Pantograph Strip

Authors: Nicolas Delcey, Philippe Baucour, Didier Chamagne, Geneviève Wimmer, Auditeau Gérard, Bausseron Thomas, Bouger Odile, Blanvillain Gérard

Abstract:

This paper proposes a thermal study of the catenary/pantograph interface for a train in motion. A 2.5D complex model of the pantograph strip has been defined and created by a coupling between a 1D and a 2D model. Experimental and simulation results are presented and with a comparison allow validating the 2.5D model. Some physical phenomena are described and presented with the help of the model such as the stagger motion thermal effect, particular heats and the effect of the material characteristics. Finally it is possible to predict the critical thermal configuration during a train trip.

Keywords: 2.5D modelling, pantograph/catenary liaison, sliding contact, Joule effect, moving heat source.

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1568 Managing Handheld Devices in Ad-Hoc Collaborative Computing Environments

Authors: Alaa Alwani, Hassan Artail, Haidar Safa, Ayman Abi Abdallah, Bashir Basha, Tarek Abdel Khalek

Abstract:

The noticeable advance in the area of computer technology has paved the way for the invention of powerful mobile devices. However, limited storage, short battery life, and relatively low computational power define the major problems of such devices. Due to the ever increasing computational requirements, such devices may fail to process needed tasks under certain constraints. One of the proposed solutions to this drawback is the introduction of Collaborative Computing, a new concept dealing with the distribution of computational tasks amongst several handhelds. This paper introduces the basics of Collaborative Computing, and proposes a new protocol that aims at managing and optimizing computing tasks in Ad-Hoc Collaborative Computing Environments.

Keywords: Handheld devices, Collaborative Computing, mainprocess, Collaboration Table.

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1567 Simulation on Influence of Environmental Conditions on Part Distortion in Fused Deposition Modelling

Authors: Anto Antony Samy, Atefeh Golbang, Edward Archer, Alistair McIlhagger

Abstract:

Fused Deposition Modelling (FDM) is one of the additive manufacturing techniques that has become highly attractive in the industrial and academic sectors. However, parts fabricated through FDM are highly susceptible to geometrical defects such as warpage, shrinkage, and delamination that can severely affect their function. Among the thermoplastic polymer feedstock for FDM, semi-crystalline polymers are highly prone to part distortion due to polymer crystallization. In this study, the influence of FDM processing conditions such as chamber temperature and print bed temperature on the induced thermal residual stress and resulting warpage are investigated using 3D transient thermal model for a semi-crystalline polymer. The thermo-mechanical properties and the viscoelasticity of the polymer, as well as the crystallization physics which considers the crystallinity of the polymer, are coupled with the evolving temperature gradient of the print model. From the results it was observed that increasing the chamber temperature from 25 °C to 75 °C leads to a decrease of 3.3% residual stress and increase of 0.4% warpage, while decreasing bed temperature from 100 °C to 60 °C resulted in 27% increase in residual stress and a significant rise of 137% in warpage. The simulated warpage data are validated by comparing it with the measured warpage values of the samples using 3D scanning.

Keywords: Finite Element Analysis, FEA, Fused Deposition Modelling, residual stress, warpage.

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1566 Some Computational Results on MPI Parallel Implementation of Dense Simplex Method

Authors: El-Said Badr, Mahmoud Moussa, Konstantinos Paparrizos, Nikolaos Samaras, Angelo Sifaleras

Abstract:

There are two major variants of the Simplex Algorithm: the revised method and the standard, or tableau method. Today, all serious implementations are based on the revised method because it is more efficient for sparse linear programming problems. Moreover, there are a number of applications that lead to dense linear problems so our aim in this paper is to present some computational results on parallel implementation of dense Simplex Method. Our implementation is implemented on a SMP cluster using C programming language and the Message Passing Interface MPI. Preliminary computational results on randomly generated dense linear programs support our results.

Keywords: Linear Programming, MPI, Parallel Implementation, Simplex Algorithm.

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1565 Thermal Analysis of a Transport Refrigeration Power Pack Unit Using a Coupled 1D/3D Simulation Approach

Authors: A. Kospach, A. Mladek, M. Waltenberger, F. Schilling

Abstract:

In this work, a coupled 1D/3D simulation approach for thermal protection and optimization of a trailer refrigeration power pack unit was developed. With the developed 1D/3D simulation approach thermal critical scenarios, such as summer, high-load scenarios are investigated. The 1D thermal model was built up consisting of the thermal network, which includes different point masses and associated heat transfers, the coolant and oil circuits, as well as the fan unit. The 3D computational fluid dynamics (CFD) model was developed to model the air flow through the power pack unit considering convective heat transfer effects. In the 1D thermal model the temperatures of the individual point masses were calculated, which served as input variables for the 3D CFD model. For the calculation of the point mass temperatures in the 1D thermal model, the convective heat transfer rates from the 3D CFD model were required as input variables. These two variables (point mass temperatures and convective heat transfer rates) were the main couple variables for the coupled 1D/3D simulation model. The coupled 1D/3D model was validated with measurements under normal operating conditions. Coupled simulations for summer high-load case were than performed and compared with a reference case under normal operation conditions. Hot temperature regions and components could be identified. Due to the detailed information about the flow field, temperatures and heat fluxes, it was possible to directly derive improvement suggestions for the cooling design of the transport refrigeration power pack unit.

Keywords: Coupled thermal simulation, thermal analysis, transport refrigeration unit, 3D computational fluid dynamics, 1D thermal modelling, thermal management systems.

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1564 Unconventional Calculus Spreadsheet Functions

Authors: Chahid K. Ghaddar

Abstract:

The spreadsheet engine is exploited via a non-conventional mechanism to enable novel worksheet solver functions for computational calculus. The solver functions bypass inherent restrictions on built-in math and user defined functions by taking variable formulas as a new type of argument while retaining purity and recursion properties. The enabling mechanism permits integration of numerical algorithms into worksheet functions for solving virtually any computational problem that can be modelled by formulas and variables. Several examples are presented for computing integrals, derivatives, and systems of deferential-algebraic equations. Incorporation of the worksheet solver functions with the ubiquitous spreadsheet extend the utility of the latter as a powerful tool for computational mathematics.

Keywords: Calculus functions, nonlinear systems, differential algebraic equations, solvers, spreadsheet.

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1563 A Modelling Study of the Photochemical and Particulate Pollution Characteristics above a Typical Southeast Mediterranean Urban Area

Authors: Kiriaki-Maria Fameli, Vasiliki D. Assimakopoulos, Vasiliki Kotroni

Abstract:

The Greater Athens Area (GAA) faces photochemical and particulate pollution episodes as a result of the combined effects of local pollutant emissions, regional pollution transport, synoptic circulation and topographic characteristics. The area has undergone significant changes since the Athens 2004 Olympic Games because of large scale infrastructure works that lead to the shift of population to areas previously characterized as rural, the increase of the traffic fleet and the operation of highways. However, few recent modelling studies have been performed due to the lack of an accurate, updated emission inventory. The photochemical modelling system MM5/CAMx was applied in order to study the photochemical and particulate pollution characteristics above the GAA for two distinct ten-day periods in the summer of 2006 and 2010, where air pollution episodes occurred. A new updated emission inventory was used based on official data. Comparison of modeled results with measurements revealed the importance and accuracy of the new Athens emission inventory as compared to previous modeling studies. The model managed to reproduce the local meteorological conditions, the daily ozone and particulates fluctuations at different locations across the GAA. Higher ozone levels were found at suburban and rural areas as well as over the sea at the south of the basin. Concerning PM10, high concentrations were computed at the city centre and the southeastern suburbs in agreement with measured data. Source apportionment analysis showed that different sources contribute to the ozone levels, the local sources (traffic, port activities) affecting its formation.

Keywords: Photochemical modelling, urban pollution, greater Athens area, MM5/CAMx.

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1562 Modelling the Occurrence of Defects and Change Requests during User Acceptance Testing

Authors: Kevin McDaid, Simon P. Wilson

Abstract:

Software developed for a specific customer under contract typically undergoes a period of testing by the customer before acceptance. This is known as user acceptance testing and the process can reveal both defects in the system and requests for changes to the product. This paper uses nonhomogeneous Poisson processes to model a real user acceptance data set from a recently developed system. In particular a split Poisson process is shown to provide an excellent fit to the data. The paper explains how this model can be used to aid the allocation of resources through the accurate prediction of occurrences both during the acceptance testing phase and before this activity begins.

Keywords: User acceptance testing. Software reliability growth modelling. Split Poisson process. Bayesian methods.

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1561 Application of the Virtual Reality Modeling Language for Design of Automated Workplaces

Authors: Jozef Novak-Marcincin

Abstract:

Virtual Reality Modelling Language (VRML) is description language, which belongs to a field Window on World virtual reality system. The file, which is in VRML format, can be interpreted by VRML explorer in three-dimensional scene. VRML was created with aim to represent virtual reality on Internet easier. Development of 3D graphic is connected with Silicon Graphic Corporation. VRML 2.0 is the file format for describing interactive 3D scenes and objects. It can be used in collaboration with www, can be used for 3D complex representations creating of scenes, products or VR applications VRML 2.0 enables represent static and animated objects too. Interesting application of VRML is in area of manufacturing systems presentation.

Keywords: Virtual reality, virtual reality modelling language, design of workplaces, technological workplaces.

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1560 Computational Algorithm for Obtaining Abelian Subalgebras in Lie Algebras

Authors: Manuel Ceballos, Juan Nunez, Angel F. Tenorio

Abstract:

The set of all abelian subalgebras is computationally obtained for any given finite-dimensional Lie algebra, starting from the nonzero brackets in its law. More concretely, an algorithm is described and implemented to compute a basis for each nontrivial abelian subalgebra with the help of the symbolic computation package MAPLE. Finally, it is also shown a brief computational study for this implementation, considering both the computing time and the used memory.

Keywords: Solvable Lie algebra, maximal abelian dimension, algorithm.

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1559 Nonlinear Observer Design and Sliding Mode Control of Four Rotors Helicopter

Authors: H. Bouadi, M. Tadjine

Abstract:

In this paper; we are interested in dynamic modelling of quadrotor while taking into account the high-order nonholonomic constraints as well as the various physical phenomena, which can influence the dynamics of a flying structure. These permit us to introduce a new state-space representation and new control scheme. We present after the development and the synthesis of a stabilizing control laws design based on sliding mode in order to perform best tracking results. It ensures locally asymptotic stability and desired tracking trajectories. Nonlinear observer is then synthesized in order to estimate the unmeasured states and the effects of the external disturbances such as wind and noise. Finally simulation results are also provided in order to illustrate the performances of the proposed controllers.

Keywords: Dynamic modelling, nonholonomic constraints, sliding mode, nonlinear observer.

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1558 Computational Fluid Dynamics Simulation and Comparison of Flow through Mechanical Heart Valve Using Newtonian and Non-Newtonian Fluid

Authors: D. Šedivý, S. Fialová

Abstract:

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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1557 Integrating E-learning Environments with Computational Intelligence Assessment Agents

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

Abstract:

In this contribution an innovative platform is being presented that integrates intelligent agents in legacy e-learning environments. It introduces the design and development of a scalable and interoperable integration platform supporting various assessment agents for e-learning environments. The agents are implemented in order to provide intelligent assessment services to computational intelligent techniques such as Bayesian Networks and Genetic Algorithms. The utilization of new and emerging technologies like web services allows integrating the provided services to any web based legacy e-learning environment.

Keywords: Bayesian Networks, Computational Intelligence techniques, E-learning legacy systems, Service Oriented Integration, Intelligent Agents

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1556 The Extension of Monomeric Computational Results to Polymeric Measurable Properties: An Introductory Computational Chemistry Experiment

Authors: Zhao Jing, Bai Yongqing, Shi Qiaofang, Zang Yang, Zhang Huaihao

Abstract:

Advances in software technology enable the computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: Upper-division undergraduate, computer-based learning, laboratory instruction, amides, molecular modeling, spectroscopy.

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1555 Study of Flow Behavior of Aqueous Solution of Rhodamine B in Annular Reactor Using Computational Fluid Dynamics

Authors: Jatinder Kumar, Ajay Bansal

Abstract:

The present study deals with the modeling and simulation of flow through an annular reactor at different hydrodynamic conditions using computational fluid dynamics (CFD) to investigate the flow behavior. CFD modeling was utilized to predict velocity distribution and average velocity in the annular geometry. The results of CFD simulations were compared with the mathematically derived equations and already developed correlations for validation purposes. CFD modeling was found suitable for predicting the flow characteristics in annular geometry under laminar flow conditions. It was observed that CFD also provides local values of the parameters of interest in addition to the average values for the simulated geometry.

Keywords: Annular reactor, computational fluid dynamics (CFD), hydrodynamics, Rhodamine B

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1554 Modelling of the Fire Pragmatism in the Area of Military Management and Its Experimental Verification

Authors: Ivana Mokrá

Abstract:

The article deals with modelling of the fire pragmatism in the area of military management and its experimental verification. Potential approaches are based on the synergy of mathematical and theoretical ideas, operational and tactical requirements and the military decision-making process. This issue has taken on importance in recent times, particularly with the increasing trend of digitized battlefield, the development of C4ISR systems and intention to streamline the command and control process at the lowest levels of command. From fundamental and philosophical point of view, these new approaches seek to significantly upgrade and enhance the decision-making process of the tactical commanders.

Keywords: Military management, decision-making process, strike modeling, experimental evaluation, pragmatism, tactical strike modeling

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1553 Modelling of Hydric Behaviour of Textiles

Authors: A. Marolleau, F. Salaun, D. Dupont, H. Gidik, S. Ducept.

Abstract:

The goal of this study is to analyze the hydric behaviour of textiles which can impact significantly the comfort of the wearer. Indeed, fabrics can be adapted for different climate if hydric and thermal behaviors are known. In this study, fabrics are only submitted to hydric variations. Sorption and desorption isotherms obtained from the dynamic vapour sorption apparatus (DVS) are fitted with the parallel exponential kinetics (PEK), the Hailwood-Horrobin (HH) and the Brunauer-Emmett-Teller (BET) models. One of the major finding is the relationship existing between PEK and HH models. During slow and fast processes, the sorption of water molecules on the polymer can be in monolayer and multilayer form. According to the BET model, moisture regain, a physical property of textiles, show a linear correlation with the total amount of water taken in monolayer. This study provides potential information of the end uses of these fabrics according to the selected activity level.

Keywords: Comfort, hydric properties, modelling, underwear.

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1552 An Optimal Load Shedding Approach for Distribution Networks with DGs considering Capacity Deficiency Modelling of Bulked Power Supply

Authors: A. R. Malekpour, A.R. Seifi

Abstract:

This paper discusses a genetic algorithm (GA) based optimal load shedding that can apply for electrical distribution networks with and without dispersed generators (DG). Also, the proposed method has the ability for considering constant and variable capacity deficiency caused by unscheduled outages in the bulked generation and transmission system of bulked power supply. The genetic algorithm (GA) is employed to search for the optimal load shedding strategy in distribution networks considering DGs in two cases of constant and variable modelling of bulked power supply of distribution networks. Electrical power distribution systems have a radial network and unidirectional power flows. With the advent of dispersed generations, the electrical distribution system has a locally looped network and bidirectional power flows. Therefore, installed DG in the electrical distribution systems can cause operational problems and impact on existing operational schemes. Introduction of DGs in electrical distribution systems has introduced many new issues in operational and planning level. Load shedding as one of operational issue has no exempt. The objective is to minimize the sum of curtailed load and also system losses within the frame-work of system operational and security constraints. The proposed method is tested on a radial distribution system with 33 load points for more practical applications.

Keywords: DG, Load shedding, Optimization, Capacity Deficiency Modelling.

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