Search results for: Quantum Computer Simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4726

Search results for: Quantum Computer Simulation

4516 Compact Model of Dual-Drain MAGFETs Simulation

Authors: E. Yosry, W. Fikry, A. El-henawy, M. Marzouk

Abstract:

This work offers a study of new simple compact model of dual-drain Magnetic Field Effect Transistor (MAGFET) including geometrical effects and biasing dependency. An explanation of the sensitivity is investigated, involving carrier deflection as the dominant operating principle. Finally, model verification with simulation results is introduced to ensure that acceptable error of 2% is achieved.

Keywords: MAGFET, Modeling, Simulation, Split-drain.

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4515 A Genetic-Neural-Network Modeling Approach for Self-Heating in GaN High Electron Mobility Transistors

Authors: Anwar Jarndal

Abstract:

In this paper, a genetic-neural-network (GNN) based large-signal model for GaN HEMTs is presented along with its parameters extraction procedure. The model is easy to construct and implement in CAD software and requires only DC and S-parameter measurements. An improved decomposition technique is used to model self-heating effect. Two GNN models are constructed to simulate isothermal drain current and power dissipation, respectively. The two model are then composed to simulate the drain current. The modeling procedure was applied to a packaged GaN-on-Si HEMT and the developed model is validated by comparing its large-signal simulation with measured data. A very good agreement between the simulation and measurement is obtained.

Keywords: GaN HEMT, computer-aided design & modeling, neural networks, genetic optimization.

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4514 Cities Simulation and Representation in Locative Games from the Perspective of Cultural Studies

Authors: B. A. A. Paixão, J. V. B. Gomide

Abstract:

This work aims to analyze the locative structure used by the locative games of the company Niantic. To fulfill this objective, a literature review on the representation and simulation of cities was developed; interviews with Ingress players and playing Ingress. Relating these data, it was possible to deepen the relationship between the virtual and the real to create the simulation of cities and their cultural objects in locative games. Cities representation associates geo-location provided by the Global Positioning System (GPS), with augmented reality and digital image, and provides a new paradigm in the city interaction with its parts and real and virtual world elements, homeomorphic to real world. Bibliographic review of papers related to the representation and simulation study and their application in locative games was carried out and is presented in the present paper. The cities representation and simulation concepts in locative games, and how this setting enables the flow and immersion in urban space, are analyzed. Some examples of games are discussed for this new setting development, which is a mix of real and virtual world. Finally, it was proposed a Locative Structure for electronic games using the concepts of heterotrophic representations and isotropic representations conjoined with immediacy and hypermediacy.

Keywords: Cities representation, city simulation, games simulation, locative games.

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4513 Forest Growth Simulation: Tropical Rain Forest Stand Table Projection

Authors: Yasmin Yahya, Roslan Ismail, Samreth Vanna, Khorn Saret

Abstract:

The study on the tree growth for four species groups of commercial timber in Koh Kong province, Cambodia-s tropical rainforest is described. The simulation for these four groups had been successfully developed in the 5-year interval through year-60. Data were obtained from twenty permanent sample plots in the duration of thirteen years. The aim for this study was to develop stand table simulation system of tree growth by the species group. There were five steps involved in the development of the tree growth simulation: aggregate the tree species into meaningful groups by using cluster analysis; allocate the trees in the diameter classes by the species group; observe the diameter movement of the species group. The diameter growth rate, mortality rate and recruitment rate were calculated by using some mathematical formula. Simulation equation had been created by combining those parameters. Result showed the dissimilarity of the diameter growth among species groups.

Keywords: cluster analysis, diameter growth, simulation

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4512 CFD Simulation of Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL Technology

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

Abstract:

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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4511 Particle Swarm Optimization and Quantum Particle Swarm Optimization to Multidimensional Function Approximation

Authors: Diogo Silva, Fadul Rodor, Carlos Moraes

Abstract:

This work compares the results of multidimensional function approximation using two algorithms: the classical Particle Swarm Optimization (PSO) and the Quantum Particle Swarm Optimization (QPSO). These algorithms were both tested on three functions - The Rosenbrock, the Rastrigin, and the sphere functions - with different characteristics by increasing their number of dimensions. As a result, this study shows that the higher the function space, i.e. the larger the function dimension, the more evident the advantages of using the QPSO method compared to the PSO method in terms of performance and number of necessary iterations to reach the stop criterion.

Keywords: PSO, QPSO, function approximation, AI, optimization, multidimensional functions.

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4510 Predicting and Mitigating Dredging DispersionImpact: A Case of Phuket Port, Thailand

Authors: Cherdvong Saengsupavanich

Abstract:

Dredging activities inevitably cause sediment dispersion. In certain locations, where there are important ecological areas such as mangroves or coral reefs, carefully planning the dredging can significantly reduce negative impacts. This article utilizes the dredging at Phuket port, Thailand, as a case study to demonstrate how computer simulations can be helpful to protect existing coral reefs. A software package named MIKE21 was applied. Necessary information required by the simulations was gathered. After calibrating and verifying the model, various dredging scenario were simulated to predict spoil movement. The simulation results were used as guidance to setting up an environmental measure. Finally, the recommendation to dredge during flood tide with silt curtains installed was made.

Keywords: Coastal simulation, Dredging, Environmentalprotection, Port. Coastal engineering, Thailand

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4509 A Physical Theory of Information vs. a Mathematical Theory of Communication

Authors: Manouchehr Amiri

Abstract:

This article presents a general notion of physical bit information that is compatible with the basics of quantum mechanics and incorporates the Shannon entropy as a special case. This notion of physical information leads to the Binary Data Matrix model (BDM), which predicts the basic results of quantum mechanics, general relativity, and black hole thermodynamics. The compatibility of the model with holographic, information conservation, and Landauer’s principle is investigated. After deriving the “Bit Information principle” as a consequence of BDM, the fundamental equations of Planck, De Broglie, Bekenstein, and mass-energy equivalence are derived.

Keywords: Physical theory of information, binary data matrix model, Shannon information theory, bit information principle.

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4508 Aspen Plus Simulation of Saponification of Ethyl Acetate in the Presence of Sodium Hydroxide in a Plug Flow Reactor

Authors: U. P. L. Wijayarathne, K. C. Wasalathilake

Abstract:

This work presents the modelling and simulation of saponification of ethyl acetate in the presence of sodium hydroxide in a plug flow reactor using Aspen Plus simulation software. Plug flow reactors are widely used in the industry due to the non-mixing property. The use of plug flow reactors becomes significant when there is a need for continuous large scale reaction or fast reaction. Plug flow reactors have a high volumetric unit conversion as the occurrence for side reactions is minimum. In this research Aspen Plus V8.0 has been successfully used to simulate the plug flow reactor. In order to simulate the process as accurately as possible HYSYS Peng- Robinson EOS package was used as the property method. The results obtained from the simulation were verified by the experiment carried out in the EDIBON plug flow reactor module. The correlation coefficient (r2) was 0.98 and it proved that simulation results satisfactorily fit for the experimental model. The developed model can be used as a guide for understanding the reaction kinetics of a plug flow reactor.

Keywords: Aspen Plus, Modelling, Plug Flow Reactor, Simulation.

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4507 Practical Application of Simulation of Business Processes

Authors: Markéta Gregušová, Vladimíra Schindlerová, Ivana Šajdlerová, Petr Mohyla, Jan Kedroň

Abstract:

Company managers are always looking for more and more opportunities to succeed in today's fiercely competitive market. To maintain your place among the successful companies on the market today or to come up with a revolutionary business idea is much more difficult than before. Each new or improved method, tool, or approach that can improve the functioning of business processes or even of the entire system is worth checking and verification. The use of simulation in the design of manufacturing systems and their management in practice is one of the ways without increased risk, which makes it possible to find the optimal parameters of manufacturing processes and systems. The paper presents an example of use of simulation for solution of the bottleneck problem in the concrete company.

Keywords: Practical applications, business processes, systems, simulation.

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4506 Numerical Simulation of Liquid Nitrogen Spray Equipment for Space Environmental Simulation Facility

Authors: He Chao, Zhang Lei, Liu Ran, Li Ang

Abstract:

Temperature regulating system by gaseous nitrogen is of importance to the space environment simulator, which keeps the shrouds in the temperature range from -150°C to +150°C. Liquid nitrogen spray equipment is one of the most critical parts in the temperature regulating system by gaseous nitrogen. Y type jet atomizer and internal mixing atomizer of the liquid nitrogen spray equipment are studied in this paper, 2D/3D atomizer model was established and grid division was conducted respectively by the software of Catia and ICEM. Based on the above preparation, numerical simulation on the spraying process of the atomizer by FLUENT is performed. Using air and water as the medium, comparison between the tests and numerical simulation was conducted and the results of two ways match well. Hence, it can be conclude that this atomizer model can be applied in the numerical simulation of liquid nitrogen spray equipment.

Keywords: Space environmental simulator, liquid nitrogen spray, Y type jet atomizer, internal mixing atomizer, numerical simulation, fluent.

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4505 Simulation of Sample Paths of Non Gaussian Stationary Random Fields

Authors: Fabrice Poirion, Benedicte Puig

Abstract:

Mathematical justifications are given for a simulation technique of multivariate nonGaussian random processes and fields based on Rosenblatt-s transformation of Gaussian processes. Different types of convergences are given for the approaching sequence. Moreover an original numerical method is proposed in order to solve the functional equation yielding the underlying Gaussian process autocorrelation function.

Keywords: Simulation, nonGaussian, random field, multivariate, stochastic process.

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4504 Dynamic Modeling and Simulation of Threephase Small Power Induction Motor

Authors: Nyein Nyein Soe, Thet Thet Han Yee, Soe Sandar Aung

Abstract:

This paper is proposed the dynamic simulation of small power induction motor based on Mathematical modeling. The dynamic simulation is one of the key steps in the validation of the design process of the motor drive systems and it is needed for eliminating inadvertent design mistakes and the resulting error in the prototype construction and testing. This paper demonstrates the simulation of steady-state performance of induction motor by MATLAB Program Three phase 3 hp induction motor is modeled and simulated with SIMULINK model.

Keywords: Squirrel cage induction motor, modeling andsimulation, MATLAB software, torque, speed.

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4503 IMLFQ Scheduling Algorithm with Combinational Fault Tolerant Method

Authors: MohammadReza EffatParvar, Akbar Bemana, Mehdi EffatParvar

Abstract:

Scheduling algorithms are used in operating systems to optimize the usage of processors. One of the most efficient algorithms for scheduling is Multi-Layer Feedback Queue (MLFQ) algorithm which uses several queues with different quanta. The most important weakness of this method is the inability to define the optimized the number of the queues and quantum of each queue. This weakness has been improved in IMLFQ scheduling algorithm. Number of the queues and quantum of each queue affect the response time directly. In this paper, we review the IMLFQ algorithm for solving these problems and minimizing the response time. In this algorithm Recurrent Neural Network has been utilized to find both the number of queues and the optimized quantum of each queue. Also in order to prevent any probable faults in processes' response time computation, a new fault tolerant approach has been presented. In this approach we use combinational software redundancy to prevent the any probable faults. The experimental results show that using the IMLFQ algorithm results in better response time in comparison with other scheduling algorithms also by using fault tolerant mechanism we improve IMLFQ performance.

Keywords: IMLFQ, Fault Tolerant, Scheduling, Queue, Recurrent Neural Network.

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4502 Finite Element Simulation of Deep Drawing Process to Minimize Earing

Authors: Pawan S. Nagda, Purnank S. Bhatt, Mit K. Shah

Abstract:

Earing defect in drawing process is highly undesirable not only because it adds on an additional trimming operation but also because the uneven material flow demands extra care. The objective of this work is to study the earing problem in the Deep Drawing of circular cup and to optimize the blank shape to reduce the earing. A finite element model is developed for 3-D numerical simulation of cup forming process in ABAQUS. Extra-deep-drawing (EDD) steel sheet has been used for simulation. Properties and tool design parameters were used as input for simulation. Earing was observed in the simulated cup and it was measured at various angles with respect to rolling direction. To reduce the earing defect initial blank shape was modified with the help of anisotropy coefficient. Modified blanks showed notable reduction in earing.

Keywords: Finite element simulation, deep drawing, earing, anisotropy.

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4501 A Tutorial on Dynamic Simulation of DC Motor and Implementation of Kalman Filter on a Floating Point DSP

Authors: Padmakumar S., Vivek Agarwal, Kallol Roy

Abstract:

With the advent of inexpensive 32 bit floating point digital signal processor-s availability in market, many computationally intensive algorithms such as Kalman filter becomes feasible to implement in real time. Dynamic simulation of a self excited DC motor using second order state variable model and implementation of Kalman Filter in a floating point DSP TMS320C6713 is presented in this paper with an objective to introduce and implement such an algorithm, for beginners. A fractional hp DC motor is simulated in both Matlab® and DSP and the results are included. A step by step approach for simulation of DC motor in Matlab® and “C" routines in CC Studio® is also given. CC studio® project file details and environmental setting requirements are addressed. This tutorial can be used with 6713 DSK, which is based on floating point DSP and CC Studio either in hardware mode or in simulation mode.

Keywords: DC motor, DSP, Dynamic simulation, Kalman Filter

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4500 Energy Consumption and GHG Production in Railway and Road Passenger Regional Transport

Authors: Martin Kendra, Tomas Skrucany, Jozef Gnap, Jan Ponicky

Abstract:

Paper deals with the modeling and simulation of energy consumption and GHG production of two different modes of regional passenger transport – road and railway. These two transport modes use the same type of fuel – diesel. Modeling and simulation of the energy consumption in transport is often used due to calculation satisfactory accuracy and cost efficiency. Paper deals with the calculation based on EN standards and information collected from technical information from vehicle producers and characteristics of tracks. Calculation included maximal theoretical capacity of bus and train and real passenger’s measurement from operation. Final energy consumption and GHG production is calculated by using software simulation. In evaluation of the simulation is used system “well to wheel”.

Keywords: Bus, energy consumption, GHG, production, simulation, train.

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4499 Metaphorical Perceptions of Middle School Students Regarding Computer Games

Authors: Ismail Celik, Ismail Sahin, Fetah Eren

Abstract:

The computer, among the most important inventions of the twentieth century, has become an increasingly important component in our everyday lives. Computer games also have become increasingly popular among people day-by-day, owing to their features based on realistic virtual environments, audio and visual features, and the roles they offer players. In the present study, the metaphors students have for computer games are investigated, as well as an effort to fill the gap in the literature. Students were asked to complete the sentence—‘Computer game is like/similar to….because….’— to determine the middle school students’ metaphorical images of the concept for ‘computer game’. The metaphors created by the students were grouped in six categories, based on the source of the metaphor. These categories were ordered as ‘computer game as a means of entertainment’, ‘computer game as a beneficial means’, ‘computer game as a basic need’, ‘computer game as a source of evil’, ‘computer game as a means of withdrawal’, and ‘computer game as a source of addiction’, according to the number of metaphors they included.

Keywords: Computer game, metaphor, middle school students.

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4498 Implication of the Exchange-Correlation on Electromagnetic Wave Propagation in Single-Wall Carbon Nanotubes

Authors: A. Abdikian

Abstract:

Using the linearized quantum hydrodynamic model (QHD) and by considering the role of quantum parameter (Bohm’s potential) and electron exchange-correlation potential in conjunction with Maxwell’s equations, electromagnetic wave propagation in a single-walled carbon nanotubes was studied. The electronic excitations are described. By solving the mentioned equations with appropriate boundary conditions and by assuming the low-frequency electromagnetic waves, two general expressions of dispersion relations are derived for the transverse magnetic (TM) and transverse electric (TE) modes, respectively. The dispersion relations are analyzed numerically and it was found that the dependency of dispersion curves with the exchange-correlation effects (which have been ignored in previous works) in the low frequency would be limited. Moreover, it has been realized that asymptotic behaviors of the TE and TM modes are similar in single wall carbon nanotubes (SWCNTs). The results show that by adding the function of electron exchange-correlation potential lead to the phenomena and make to extend the validity range of QHD model. The results can be important in the study of collective phenomena in nanostructures.

Keywords: Transverse magnetic, transverse electric, quantum hydrodynamic model, electron exchange-correlation potential, single-wall carbon nanotubes.

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4497 CFD Simulation of Hydrodynamic Behaviors and Gas-Liquid Mass Transfer in a Stirred Airlift Bioreactor

Authors: Sérgio S. de Jesus, Edgar Leonardo Martínez, Aulus R.R. Binelli, Aline Santana, Rubens Maciel Filho

Abstract:

The speed profiles, gas holdup (eG) and global oxygen transfer coefficient (kLa) from a stirred airlift bioreactor using water as the fluid model, was investigated by computational fluid dynamics modeling. The parameters predicted by the computer model were validated with the experimental dates. The CFD results were very close to those obtained experimentally. During the simulation it was verified a prevalent impeller effect at low speeds, propelling a large volume of fluid against the walls of the vessel, which without recirculation, results in low values of eG and kLa; however, by increasing air velocity, the impeller effect is smaller with the air flow being greater, in the region of the riser, causing fluid recirculation, which explains the increase in eG and kLa.

Keywords: CFD, Hydrodynamics, Mass transfer, Stirred airlift bioreactor.

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4496 Business Skills Laboratory in Action: Combining a Practice Enterprise Model and an ERP-Simulation to a Comprehensive Business Learning Environment

Authors: Karoliina Nisula, Samuli Pekkola

Abstract:

Business education has been criticized for being too theoretical and distant from business life. Different types of experiential learning environments ranging from manual role-play to computer simulations and enterprise resource planning (ERP) systems have been used to introduce the realistic and practical experience into business learning. Each of these learning environments approaches business learning from a different perspective. The implementations tend to be individual exercises supplementing the traditional courses. We suggest combining them into a business skills laboratory resembling an actual workplace. In this paper, we present a concrete implementation of an ERP-supported business learning environment that is used throughout the first year undergraduate business curriculum. We validate the implementation by evaluating the learning outcomes through the different domains of Bloom’s taxonomy. We use the role-play oriented practice enterprise model as a comparison group. Our findings indicate that using the ERP simulation improves the poor and average students’ lower-level cognitive learning. On the affective domain, the ERP-simulation appears to enhance motivation to learn as well as perceived acquisition of practical hands-on skills.

Keywords: Business simulations, experiential learning, ERP systems, learning environments.

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4495 Line Balancing in the Hard Disk Drive Process Using Simulation Techniques

Authors: Teerapun Saeheaw, Nivit Charoenchai, Wichai Chattinnawat

Abstract:

Simulation model is an easy way to build up models to represent real life scenarios, to identify bottlenecks and to enhance system performance. Using a valid simulation model may give several advantages in creating better manufacturing design in order to improve the system performances. This paper presents result of implementing a simulation model to design hard disk drive manufacturing process by applying line balancing to improve both productivity and quality of hard disk drive process. The line balance efficiency showed 86% decrease in work in process, output was increased by an average of 80%, average time in the system was decreased 86% and waiting time was decreased 90%.

Keywords: line balancing, arena, hard disk drive process, simulation, work in process (WIP)

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4494 Numerical Simulation of Deoilin Hydrocyclones

Authors: Reza Maddahian, Bijan Farhanieh, Simin Dokht Saemi

Abstract:

In this research the separation efficiency of deoiling hydrocyclone is evaluated using three-dimensional simulation of multiphase flow based on Eulerian-Eulerian finite volume method. The mixture approach of Reynolds Stress Model is also employed to capture the features of turbulent multiphase swirling flow. The obtained separation efficiency of Colman's design is compared with available experimental data and showed that the separation curve of deoiling hydrocyclones can be predicted using numerical simulation.

Keywords: Deoiling hydrocyclone, Eulerian-Eulerian Model, Numerical simulation, Separation efficiency, Reynolds Stress Model

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4493 Using Simulation Modeling Approach to Predict USMLE Steps 1 and 2 Performances

Authors: Chau-Kuang Chen, John Hughes, Jr., A. Dexter Samuels

Abstract:

The prediction models for the United States Medical Licensure Examination (USMLE) Steps 1 and 2 performances were constructed by the Monte Carlo simulation modeling approach via linear regression. The purpose of this study was to build robust simulation models to accurately identify the most important predictors and yield the valid range estimations of the Steps 1 and 2 scores. The application of simulation modeling approach was deemed an effective way in predicting student performances on licensure examinations. Also, sensitivity analysis (a/k/a what-if analysis) in the simulation models was used to predict the magnitudes of Steps 1 and 2 affected by changes in the National Board of Medical Examiners (NBME) Basic Science Subject Board scores. In addition, the study results indicated that the Medical College Admission Test (MCAT) Verbal Reasoning score and Step 1 score were significant predictors of the Step 2 performance. Hence, institutions could screen qualified student applicants for interviews and document the effectiveness of basic science education program based on the simulation results.

Keywords: Prediction Model, Sensitivity Analysis, Simulation Method, USMLE.

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4492 Simulation for Input-Output Energy Structure in Agriculture: Bangladesh

Authors: M. S. Alam, M. R. Alam, Nusrat Jahan Imu

Abstract:

This paper presents a computer simulation model based on system dynamics methodology for analyzing the dynamic characteristics of input energy structure in agriculture and Bangladesh is used here as a case study for model validation. The model provides an input energy structure linking the major energy flows with human energy and draft energy from cattle as well as tractors and/or power tillers, irrigation, chemical fertilizer and pesticide. The evaluation is made in terms of different energy dependent indicators. During the simulation period, the energy input to agriculture increased from 6.1 to 19.15 GJ/ha i.e. 2.14 fold corresponding to energy output in terms of food, fodder and fuel increase from 71.55 to 163.58 GJ/ha i.e. 1.28 fold from the base year. This result indicates that the energy input in Bangladeshi agricultural production is increasing faster than the energy output. Problems such as global warming, nutrient loading and pesticide pollution can associate with this increasing input. For an assessment, a comparative statement of input energy use in agriculture of developed countries (DCs) and least developed countries (LDCs) including Bangladesh has been made. The performance of the model is found satisfactory to analyze the agricultural energy system for LDCs

Keywords: Agriculture, energy indicator, system dynamics, energy flows.

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4491 A Computational Stochastic Modeling Formalism for Biological Networks

Authors: Werner Sandmann, Verena Wolf

Abstract:

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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4490 Evaluation of Introductory Programming Course for Non-Computer Science Majored Students

Authors: H. Varol

Abstract:

Although students’ interest level in pursuing Computer Science and related degrees are lower than previous decade, fundamentals of computers, specifically introductory level programming courses are either listed as core or elective courses for a number of non-computer science majors. Universities accommodate these non-computer science majored students either via creating separate sections of a class for them or simply offering mixed-body classroom solutions, in which both computer science and non-computer science students take the courses together. In this work, we demonstrated how we handle introductory level programming course at Sam Houston State University and also provide facts about our observations on students’ success during the coursework. Moreover, we provide suggestions and methodologies that are based on students’ major and skills to overcome the deficiencies of mix-body type of classes.

Keywords: Computer science, non-computer science major, programming, programming education.

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4489 Coding Considerations for Standalone Molecular Dynamics Simulations of Atomistic Structures

Authors: R. O. Ocaya, J. J. Terblans

Abstract:

The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Keywords: C-language, molecular dynamics, simulation, embedded atom method.

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4488 Load Modeling for Power Flow and Transient Stability Computer Studies at BAKHTAR Network

Authors: M. Sedighizadeh, A. Rezazadeh

Abstract:

A method has been developed for preparing load models for power flow and stability. The load modeling (LOADMOD) computer software transforms data on load class mix, composition, and characteristics into the from required for commonly–used power flow and transient stability simulation programs. Typical default data have been developed for load composition and characteristics. This paper defines LOADMOD software and describes the dynamic and static load modeling techniques used in this software and results of initial testing for BAKHTAR power system.

Keywords: Load Modelling, Static, Power Flow.

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4487 Surface Roughness of Flange Contact to the 25A-size Metal Gasket by using FEM Simulation

Authors: Shigeyuki Haruyama , Didik Nurhadiyanto, Moch Agus Choiron, Ken Kaminishi

Abstract:

The previous study of new metal gasket that contact width and contact stress an important design parameter for optimizing metal gasket performance. The optimum design based on an elastic and plastic contact stress was founded. However, the influence of flange surface roughness had not been investigated thoroughly. The flange has many kinds of surface roughness. In this study, we conducted a gasket model include a flange surface roughness effect. A finite element method was employed to develop simulation solution. A uniform quadratic mesh used for meshing the gasket material and a gradually quadrilateral mesh used for meshing the flange. The gasket model was simulated by using two simulation stages which is forming and tightening simulation. A simulation result shows that a smoother of surface roughness has higher slope for force per unit length. This mean a squeezed against between flange and gasket will be strong. The slope of force per unit length for gasket 400-MPa mode was higher than the gasket 0-MPa mode.

Keywords: Surface roughness, flange, metal gasket, leakage, simulation.

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