Search results for: Quantum Computer Simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4704

Search results for: Quantum Computer Simulation

3624 Mathematical modeling of Bi-Substrate Enzymatic Reactions with Ping-Pong Mechanism in the Presence of Competitive Inhibitors

Authors: Rafayel A. Azizyan, Aram E. Gevogyan, Valeri B. Arakelyan, Emil S. Gevorgyan

Abstract:

The mathematical modeling of different biological processes is usually used to predict or assess behavior of systems in which these processes take place. This study deals with mathematical and computer modeling of bi-substrate enzymatic reactions with ping-pong mechanism, which play an important role in different biochemical pathways. Besides that, three models of competitive inhibition were designed using different software packages. The main objective of this study is to represent the results from in silico investigation of bi-substrate enzymatic reactions with ordered pingpong mechanism in the presence of competitive inhibitors, as well as to describe in details the inhibition effects. The simulation of the models with certain kinetic parameters allowed investigating the behavior of reactions as well as determined some interesting aspects concerning influence of different cases of competitive inhibition. Simultaneous presence of two inhibitors, competitive to the S1 and S2 substrates have been studied. Moreover, we have found the pattern of simultaneous influence of both inhibitors.

Keywords: Mathematical modeling, bi-substrate enzymatic reactions, ping-pong mechanism, competitive inhibition.

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3623 FEM and Experimental Modal Analysis of Computer Mount

Authors: Vishwajit M. Ghatge, David Looper

Abstract:

Over the last few decades, oilfield service rolling equipment has significantly increased in weight, primarily because of emissions regulations, which require larger/heavier engines, larger cooling systems, and emissions after-treatment systems, in some cases, etc. Larger engines cause more vibration and shock loads, leading to failure of electronics and control systems. If the vibrating frequency of the engine matches the system frequency, high resonance is observed on structural parts and mounts. One such existing automated control equipment system comprising wire rope mounts used for mounting computers was designed approximately 12 years ago. This includes the use of an industrialgrade computer to control the system operation. The original computer had a smaller, lighter enclosure. After a few years, a newer computer version was introduced, which was 10 lbm heavier. Some failures of internal computer parts have been documented for cases in which the old mounts were used. Because of the added weight, there is a possibility of having the two brackets impact each other under off-road conditions, which causes a high shock input to the computer parts. This added failure mode requires validating the existing mount design to suit the new heavy-weight computer. This paper discusses the modal finite element method (FEM) analysis and experimental modal analysis conducted to study the effects of vibration on the wire rope mounts and the computer. The existing mount was modelled in ANSYS software, and resultant mode shapes and frequencies were obtained. The experimental modal analysis was conducted, and actual frequency responses were observed and recorded. Results clearly revealed that at resonance frequency, the brackets were colliding and potentially causing damage to computer parts. To solve this issue, spring mounts of different stiffness were modeled in ANSYS software, and the resonant frequency was determined. Increasing the stiffness of the system increased the resonant frequency zone away from the frequency window at which the engine showed heavy vibrations or resonance. After multiple iterations in ANSYS software, the stiffness of the spring mount was finalized, which was again experimentally validated.

Keywords: Experimental Modal Analysis, FEM Modal Analysis, Frequency, Modal Analysis, Resonance, Vibration.

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3622 Finite Element Modeling of Rotating Mixing of Toothpaste

Authors: Inamullah Bhatti, Ahsanullah Baloch, Khadija Qureshi

Abstract:

The objective of this research is to examine the shear thinning behaviour of mixing flow of non-Newtonian fluid like toothpaste in the dissolution container with rotating stirrer. The problem under investigation is related to the chemical industry. Mixing of fluid is performed in a cylindrical container with rotating stirrer, where stirrer is eccentrically placed on the lid of the container. For the simulation purpose the associated motion of the fluid is considered as revolving of the container, with stick stirrer. For numerical prediction, a time-stepping finite element algorithm in a cylindrical polar coordinate system is adopted based on semi-implicit Taylor-Galerkin/pressure-correction scheme. Numerical solutions are obtained for non-Newtonian fluids employing power law model. Variations with power law index have been analysed, with respect to the flow structure and pressure drop.

Keywords: finite element simulation, mixing fluid, rheology, rotating flow, toothpaste

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3621 Effects of Synthetic Jet in Suppressing Cavity Oscillations

Authors: S. Sarkar, R. Mandal

Abstract:

The three-dimensional incompressible flow past a rectangular open cavity is investigated, where the aspect ratio of the cavity is considered as 4. The principle objective is to use large-eddy simulation to resolve and control the large-scale structures, which are largely responsible for flow oscillations in a cavity. The flow past an open cavity is very common in aerospace applications and can be a cause of acoustic source due to hydrodynamic instability of the shear layer and its interactions with the downstream edge. The unsteady Navier-stokes equations have been solved on a staggered mesh using a symmetry-preserving central difference scheme. Synthetic jet has been used as an active control to suppress the cavity oscillations in wake mode for a Reynolds number of ReD = 3360. The effect of synthetic jet has been studied by varying the jet amplitude and frequency, which is placed at the upstream wall of the cavity. The study indicates that there exits a frequency band, which is larger than a critical value, is effective in attenuating cavity oscillations when blowing ratio is more than 1.0.

Keywords: Cavity oscillation, Large Eddy Simulation, Synthetic Jet, Flow Control, Turbulence

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3620 Development of a Comprehensive Electricity Generation Simulation Model Using a Mixed Integer Programming Approach

Authors: Erik Delarue, David Bekaert, Ronnie Belmans, William D'haeseleer

Abstract:

This paper presents the development of an electricity simulation model taking into account electrical network constraints, applied on the Belgian power system. The base of the model is optimizing an extensive Unit Commitment (UC) problem through the use of Mixed Integer Linear Programming (MILP). Electrical constraints are incorporated through the implementation of a DC load flow. The model encloses the Belgian power system in a 220 – 380 kV high voltage network (i.e., 93 power plants and 106 nodes). The model features the use of pumping storage facilities as well as the inclusion of spinning reserves in a single optimization process. Solution times of the model stay below reasonable values.

Keywords: Electricity generation modeling, Unit Commitment(UC), Mixed Integer Linear Programming (MILP), DC load flow.

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3619 Providing Energy Management of a Fuel Cell-Battery Hybrid Electric Vehicle

Authors: Fatma Keskin Arabul, Ibrahim Senol, Ahmet Yigit Arabul, Ali Rifat Boynuegri

Abstract:

On account of the concern of the fossil fuel is depleting and its negative effects on the environment, interest in alternative energy sources is increasing day by day. However, considering the importance of transportation in human life, instead of oil and its derivatives fueled vehicles with internal combustion engines, electric vehicles which are sensitive to the environment and working with electrical energy has begun to develop. In this study, simulation was carried out for providing energy management and recovering regenerative braking in fuel cell-battery hybrid electric vehicle. The main power supply of the vehicle is fuel cell on the other hand not only instantaneous power is supplied by the battery but also the energy generated due to regenerative breaking is stored in the battery. Obtained results of the simulation is analyzed and discussed.

Keywords: Electric vehicles, fuel cell, battery, regenerative braking, energy management.

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3618 Combine Duration and "Select the Priority Trip" to Improve the Number of Boats

Authors: Liu Shu, Dong Shangjia

Abstract:

Our goal is to effectively increase the number of boats in the river during a six month period. The main factors of determining the number of boats are duration and “select the priority trip". In the microcosmic simulation model, the best result is 4 to 24 nights with DSCF, and the number of boats is 812 with an increasing ratio of 9.0% related to the second best result. However, the number of boats is related to 31.6% less than the best one in 6 to 18 nights with FCFS. In the discrete duration model, we get from 6 to 18 nights, the numbers of boats have increased to 848 with an increase ratio of 29.7% than the best result in model I for the same time range. Moreover, from 4 to 24 nights, the numbers of boats have increase to 1194 with an increase ratio of 47.0% than the best result in model I for the same time range.

Keywords: Discrete duration model, “select the priority trip”, microcosmic simulation model.

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3617 A Study on the Effects of Thermodynamic Nonideality and Mass Transfer on Multi-phase Hydrodynamics Using CFD Methods

Authors: Irani, Mohammad, Bozorgmehry Boozarjomehry, Ramin, Pishvaie Mahmoud Reza, Ahmad Tavasoli

Abstract:

Considering non-ideal behavior of fluids and its effects on hydrodynamic and mass transfer in multiphase flow is very essential. Simulations were performed that takes into account the effects of mass transfer and mixture non-ideality on hydrodynamics reported by Irani et al. In this paper, by assuming the density of phases to be constant and Raullt-s law instead of using EOS and fugacity coefficient definition, respectively for both the liquid and gas phases, the importance of non-ideality effects on mass transfer and hydrodynamic behavior was studied. The results for a system of octane/propane (T=323 K, P =445 kpa) also indicated that the assumption of constant density in simulation had major role to diverse from experimental data. Furthermore, comparison between obtained results and the previous report indicated significant differences between experimental data and simulation results with more ideal assumptions.

Keywords: Multiphase flow, VOF, mass transfer, Raoult's law, non-ideal thermodynamic, CFD.

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3616 Numerical Simulation of Effect of Various Rib Configurations on Enhancing Heat Transfer of Matrix Cooling Channel

Authors: Seok Min Choi, Minho Bang, Seuong Yun Kim, Hyungmin Lee, Won-Gu Joo, Hyung Hee Cho

Abstract:

The matrix cooling channel was used for gas turbine blade cooling passage. The matrix cooling structure is useful for the structure stability however the cooling performance of internal cooling channel was not enough for cooling. Therefore, we designed the rib configurations in the matrix cooling channel to enhance the cooling performance. The numerical simulation was conducted to analyze cooling performance of rib configured matrix cooling channel. Three different rib configurations were used which are vertical rib, angled rib and c-type rib. Three configurations were adopted in two positions of matrix cooling channel which is one fourth and three fourth of channel. The result shows that downstream rib has much higher cooling performance than upstream rib. Furthermore, the angled rib in the channel has much higher cooling performance than vertical rib. This is because; the angled rib improves the swirl effect of matrix cooling channel more effectively. The friction factor was increased with the installation of rib. However, the thermal performance was increased with the installation of rib in the matrix cooling channel.

Keywords: Matrix cooling, rib, heat transfer, gas turbine.

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3615 Dynamic Behaviors of a Floating Bridge with Mooring Lines under Wind and Wave Excitations

Authors: Chungkuk Jin, Moohyun Kim, Woo Chul Chung

Abstract:

This paper presents global performance and dynamic behaviors of a discrete-pontoon-type floating bridge with mooring lines in time domain under wind and wave excitations. The structure is designed for long-distance and deep-water crossing and consists of the girder, columns, pontoons, and mooring lines. Their functionality and behaviors are investigated by using elastic-floater/mooring fully-coupled dynamic simulation computer program. Dynamic wind, first- and second-order wave forces, and current loads are considered as environmental loads. Girder’s dynamic responses and mooring tensions are analyzed under different analysis methods and environmental conditions. Girder’s lateral responses are highly influenced by the second-order wave and wind loads while the first-order wave load mainly influences its vertical responses.

Keywords: Floating bridge, elastic dynamic response, coupled dynamics, mooring line, pontoon, wave/wind excitation, resonance, second-order effect.

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3614 Simulation of Sloshing behavior using Moving Grid and Body Force Methods

Authors: Tadashi Watanabe

Abstract:

The flow field and the motion of the free surface in an oscillating container are simulated numerically to assess the numerical approach for studying two-phase flows under oscillating conditions. Two numerical methods are compared: one is to model the oscillating container directly using the moving grid of the ALE method, and the other is to simulate the effect of container motion using the oscillating body force acting on the fluid in the stationary container. The two-phase flow field in the container is simulated using the level set method in both cases. It is found that the calculated results by the body force method coinsides with those by the moving grid method and the sloshing behavior is predicted well by both the methods. Theoretical back ground and limitation of the body force method are discussed, and the effects of oscillation amplitude and frequency are shown.

Keywords: Two-phase flow, simulation, oscillation, moving grid, body force

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3613 Video Based Ambient Smoke Detection By Detecting Directional Contrast Decrease

Authors: Omair Ghori, Anton Stadler, Stefan Wilk, Wolfgang Effelsberg

Abstract:

Fire-related incidents account for extensive loss of life and material damage. Quick and reliable detection of occurring fires has high real world implications. Whereas a major research focus lies on the detection of outdoor fires, indoor camera-based fire detection is still an open issue. Cameras in combination with computer vision helps to detect flames and smoke more quickly than conventional fire detectors. In this work, we present a computer vision-based smoke detection algorithm based on contrast changes and a multi-step classification. This work accelerates computer vision-based fire detection considerably in comparison with classical indoor-fire detection.

Keywords: Contrast analysis, early fire detection, video smoke detection, video surveillance.

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3612 Non-contact Gaze Tracking with Head Movement Adaptation based on Single Camera

Authors: Ying Huang, Zhiliang Wang, An Ping

Abstract:

With advances in computer vision, non-contact gaze tracking systems are heading towards being much easier to operate and more comfortable for use, the technique proposed in this paper is specially designed for achieving these goals. For the convenience in operation, the proposal aims at the system with simple configuration which is composed of a fixed wide angle camera and dual infrared illuminators. Then in order to enhance the usability of the system based on single camera, a self-adjusting method which is called Real-time gaze Tracking Algorithm with head movement Compensation (RTAC) is developed for estimating the gaze direction under natural head movement and simplifying the calibration procedure at the same time. According to the actual evaluations, the average accuracy of about 1° is achieved over a field of 20×15×15 cm3.

Keywords: computer vision, gaze tracking, human-computer interaction.

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3611 Numerical Simulation of Flow and Combustionin an Axisymmetric Internal Combustion Engine

Authors: Nureddin Dinler, Nuri Yucel

Abstract:

Improving the performance of internal combustion engines is one of the major concerns of researchers. Experimental studies are more expensive than computational studies. Also using computational techniques allows one to obtain all the required data for the cylinder, some of which could not be measured. In this study, an axisymmetric homogeneous charged spark ignition engine was modeled. Fluid motion and combustion process were investigated numerically. Turbulent flow conditions were considered. Standard k- ε turbulence model for fluid flow and eddy break-up model for turbulent combustion were utilized. The effects of valve angle on the fluid flow and combustion are analyzed for constant air/fuel and compression ratios. It is found that, velocities and strength of tumble increases in-cylinder flow and due to increase in turbulence strength, the flame propagation is faster for small valve angles.

Keywords: CFD simulation, eddy break-up model, k-εturbulence model, reciprocating engine flow and combustion.

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3610 Electroencephalography Based Brain-Computer Interface for Cerebellum Impaired Patients

Authors: Young-Seok Choi

Abstract:

In healthy humans, the cortical brain rhythm shows specific mu (~6-14 Hz) and beta (~18-24 Hz) band patterns in the cases of both real and imaginary motor movements. As cerebellar ataxia is associated with impairment of precise motor movement control as well as motor imagery, ataxia is an ideal model system in which to study the role of the cerebellocortical circuit in rhythm control. We hypothesize that the EEG characteristics of ataxic patients differ from those of controls during the performance of a Brain-Computer Interface (BCI) task. Ataxia and control subjects showed a similar distribution of mu power during cued relaxation. During cued motor imagery, however, the ataxia group showed significant spatial distribution of the response, while the control group showed the expected decrease in mu-band power (localized to the motor cortex).

Keywords: Brain-computer interface, EEG, modulation, ataxia.

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3609 Numerical Simulation of Convective Heat Transfer and Fluid Flow through Porous Media with Different Moving and Heated Walls

Authors: Laith Jaafer Habeeb

Abstract:

The present study is concerned with the free convective two dimensional flow and heat transfer, within the framework of Boussinesq approximation, in anisotropic fluid filled porous rectangular enclosure subjected to end-to-end temperature difference have been investigated using Lattice Boltzmann method fornon-Darcy flow model. Effects of the moving lid direction (top, bottom, left, and right wall moving in the negative and positive x&ydirections), number of moving walls (one or two opposite walls), the sliding wall velocity, and four different constant temperatures opposite walls cases (two surfaces are being insulated and the twoother surfaces areimposed to be at constant hot and cold temperature)have been conducted. The results obtained are discussed in terms of the Nusselt number, vectors, contours, and isotherms.

Keywords: Numerical simulation, lid-driven cavity flow, saturated porous medium, different velocity and heated walls.

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3608 Incident Shock Wave Interaction with an Axisymmetric Cone Body Placed in Shock Tube

Authors: Rabah Haoui

Abstract:

This work presents a numerical simulation of the interaction of an incident shock wave propagates from the left to the right with a cone placed in a tube at shock. The Mathematical model is based on a non stationary, viscous and axisymmetric flow. The Discretization of the Navier-stokes equations is carried out by the finite volume method in the integral form along with the Flux Vector Splitting method of Van Leer. Here, adequate combination of time stepping parameter, CFL coefficient and mesh size level is selected to ensure numerical convergence. The numerical simulation considers a shock tube filled with air. The incident shock wave propagates to the right with a determined Mach number and crosses the cone by leaving behind it a stationary detached shock wave in front of the nose cone. This type of interaction is observed according to the time of flow.

Keywords: Supersonic flow, viscous flow, finite volume, cone body

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3607 Abrupt Scene Change Detection

Authors: Priyadarshinee Adhikari, Neeta Gargote, Jyothi Digge, B.G. Hogade

Abstract:

A number of automated shot-change detection methods for indexing a video sequence to facilitate browsing and retrieval have been proposed in recent years. This paper emphasizes on the simulation of video shot boundary detection using one of the methods of the color histogram wherein scaling of the histogram metrics is an added feature. The difference between the histograms of two consecutive frames is evaluated resulting in the metrics. Further scaling of the metrics is performed to avoid ambiguity and to enable the choice of apt threshold for any type of videos which involves minor error due to flashlight, camera motion, etc. Two sample videos are used here with resolution of 352 X 240 pixels using color histogram approach in the uncompressed media. An attempt is made for the retrieval of color video. The simulation is performed for the abrupt change in video which yields 90% recall and precision value.

Keywords: Abrupt change, color histogram, ground-truthing, precision, recall, scaling, threshold.

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3606 Modelling Medieval Vaults: Digital Simulation of the North Transept Vault of St Mary, Nantwich, England

Authors: N. Webb, A. Buchanan

Abstract:

Digital and virtual heritage is often associated with the recreation of lost artefacts and architecture; however, we can also investigate works that were not completed, using digital tools and techniques. Here we explore physical evidence of a fourteenth-century Gothic vault located in the north transept of St Mary’s church in Nantwich, Cheshire, using existing springer stones that are built into the walls as a starting point. Digital surveying tools are used to document the architecture, followed by an analysis process to hypothesise and simulate possible design solutions, had the vault been completed. A number of options, both two-dimensionally and three-dimensionally, are discussed based on comparison with examples of other contemporary vaults, thus adding another specimen to the corpus of vault designs. Dissemination methods such as digital models and 3D prints are also explored as possible resources for demonstrating what the finished vault might have looked like for heritage interpretation and other purposes.

Keywords: Digital simulation, heritage interpretation, medieval vaults, virtual heritage, 3D scanning.

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3605 Study of Explicit Finite Difference Method in One Dimensional System

Authors: Azizollah Khormali, Seyyed Shahab Tabatabaee Moradi, Dmitry Petrakov

Abstract:

One of the most important parameters in petroleum reservoirs is the pressure distribution along the reservoir, as the pressure varies with the time and location. A popular method to determine the pressure distribution in a reservoir in the unsteady state regime of flow is applying Darcy’s equation and solving this equation numerically. The numerical simulation of reservoirs is based on these numerical solutions of different partial differential equations (PDEs) representing the multiphase flow of fluids. Pressure profile has obtained in a one dimensional system solving Darcy’s equation explicitly. Changes of pressure profile in three situations are investigated in this work. These situations include section length changes, step time changes and time approach to infinity. The effects of these changes in pressure profile are shown and discussed in the paper.

Keywords: Explicit solution, Numerical simulation, Petroleum reservoir, Pressure distribution.

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3604 Oscillation Effect of the Multi-stage Learning for the Layered Neural Networks and Its Analysis

Authors: Isao Taguchi, Yasuo Sugai

Abstract:

This paper proposes an efficient learning method for the layered neural networks based on the selection of training data and input characteristics of an output layer unit. Comparing to recent neural networks; pulse neural networks, quantum neuro computation, etc, the multilayer network is widely used due to its simple structure. When learning objects are complicated, the problems, such as unsuccessful learning or a significant time required in learning, remain unsolved. Focusing on the input data during the learning stage, we undertook an experiment to identify the data that makes large errors and interferes with the learning process. Our method devides the learning process into several stages. In general, input characteristics to an output layer unit show oscillation during learning process for complicated problems. The multi-stage learning method proposes by the authors for the function approximation problems of classifying learning data in a phased manner, focusing on their learnabilities prior to learning in the multi layered neural network, and demonstrates validity of the multi-stage learning method. Specifically, this paper verifies by computer experiments that both of learning accuracy and learning time are improved of the BP method as a learning rule of the multi-stage learning method. In learning, oscillatory phenomena of a learning curve serve an important role in learning performance. The authors also discuss the occurrence mechanisms of oscillatory phenomena in learning. Furthermore, the authors discuss the reasons that errors of some data remain large value even after learning, observing behaviors during learning.

Keywords: data selection, function approximation problem, multistage leaning, neural network, voluntary oscillation.

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3603 Optimal Design of Motorcycle Crash Bar Using CAD and Finite Element Analysis

Authors: Sharon S. Wu, Yong S. Park

Abstract:

This project aims to study and evaluate the motorcycle crash bar, which is used to reduce injuries caused by side impacts to the motorcycle, and then develop an improved design using the engineering design process theory based on the current benchmark crash bar in order to lower the severity of motorcycle crash injuries. For this purpose, simulations for the crash bar are set up so that it travels at an angle towards a fixed concrete wall and collides at certain velocities. 3D CAD models are first designed in SolidWorks and dynamic crash simulations are then carried out using ANSYS to determine the lowest maximum Von-Mises stress over time and deformations by adjusting the parameters used in manufacturing the crash bar, including the velocity of the crash, material used, geometries with various radius fillets, and different thicknesses for the bar. The results of the simulation are used to determine the optimum parameters for a safer crash bar to withstand higher stress and deformation. Specifically, the von-Mises stress was reduced by at least 75% compared with the benchmark design by choosing aluminum alloy and a true unibar design.

Keywords: Crash bar, crash simulation, engineering design, motorcycle safety.

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3602 Systematic Analysis of Dynamic Association of Health Outcomes with Computer Usage for Office Staff

Authors: Xiaoshu Lu, Esa-Pekka Takala, Risto Toivonen

Abstract:

This paper systematically investigates the timedependent health outcomes for office staff during computer work using the developed mathematical model. The model describes timedependent health outcomes in multiple body regions associated with computer usage. The association is explicitly presented with a doseresponse relationship which is parametrized by body region parameters. Using the developed model we perform extensive investigations of the health outcomes statically and dynamically. We compare the risk body regions and provide various severity rankings of the discomfort rate changes with respect to computer-related workload dynamically for the study population. Application of the developed model reveals a wide range of findings. Such broad spectrum of investigations in a single report literature is lacking. Based upon the model analysis, it is discovered that the highest average severity level of the discomfort exists in neck, shoulder, eyes, shoulder joint/upper arm, upper back, low back and head etc. The biggest weekly changes of discomfort rates are in eyes, neck, head, shoulder, shoulder joint/upper arm and upper back etc. The fastest discomfort rate is found in neck, followed by shoulder, eyes, head, shoulder joint/upper arm and upper back etc. Most of our findings are consistent with the literature, which demonstrates that the developed model and results are applicable and valuable and can be utilized to assess correlation between the amount of computer-related workload and health risk.

Keywords: Computer-related workload, health outcomes, dynamic association, dose-response relationship, systematic analysis.

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3601 Stochastic Simulation of Reaction-Diffusion Systems

Authors: Paola Lecca, Lorenzo Dematte

Abstract:

Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.

Keywords: Reaction-diffusion systems, Fick's law, stochastic simulation algorithm.

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3600 A Numerical Simulation of Solar Distillation for Installation in Chabahar-Iran

Authors: Masoud Afrand, Amin Behzadmehr, Arash Karimipour

Abstract:

The world demand for potable water is increasing every day with growing population. Desalination using solar energy is suitable for potable water production from brackish and seawater. In this paper, we present a theoretical study of solar distillation in a single basin under the open environmental conditions of Chabahar-Iran. The still has a base area of 2000mm×500mm with a glass cover inclined at 25° in order to obtain extra solar energy. We model the still and conduct its energy balance equations under minor assumptions. We computed the temperatures of glass cover, seawater interface, moist air and bottom using numerical method. The investigation addressed the following: The still productivity, distilled water salinity and still performance in terms of the still efficiency. Calculated still productivity in July was higher than December. So in this paper, we show that still productivity is directly functioning of solar radiation.

Keywords: Inclined Solar still, Solar energy, Solar desalination, Numerical Simulation.

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3599 Dynamics Simulation Approach in Analyzing Pension Expenditure

Authors: Hasimah Sapiri, Anton Abdulbasah Kamil, Razman Mat Tahar, Hanafi Tumin

Abstract:

Salary risk and demographic risk have been identified as main risks in analyzing pension expenditure particularly in Defined Benefit pension plan. Therefore, public pension plan in Malaysia is studied to analyze pension expenditure due to salary and demographic risk. Through the literature review and interview session with several officers in public sector, factors affecting pension expenditure are determined. Then, the inter-relationships between these factors are analyzed through causal loop diagram. The System Dynamics model is later developed using iThink software to show how demographic and salary changes affect the pension expenditure. Then, by using actual data, the impact of different policy scenarios on pension expenditure is analyzed. It is shown that dynamics simulation model of pension expenditure is useful to evaluate the impact of changes and policy decisions on risk particularly involving demographic and salary risk.

Keywords: Demographic and Salary risk, Pension Expenditure, Public Policy, System Dynamics.

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3598 Coverage Probability of Confidence Intervals for the Normal Mean and Variance with Restricted Parameter Space

Authors: Sa-aat Niwitpong

Abstract:

Recent articles have addressed the problem to construct the confidence intervals for the mean of a normal distribution where the parameter space is restricted, see for example Wang [Confidence intervals for the mean of a normal distribution with restricted parameter space. Journal of Statistical Computation and Simulation, Vol. 78, No. 9, 2008, 829–841.], we derived, in this paper, analytic expressions of the coverage probability and the expected length of confidence interval for the normal mean when the whole parameter space is bounded. We also construct the confidence interval for the normal variance with restricted parameter for the first time and its coverage probability and expected length are also mathematically derived. As a result, one can use these criteria to assess the confidence interval for the normal mean and variance when the parameter space is restricted without the back up from simulation experiments.

Keywords: Confidence interval, coverage probability, expected length, restricted parameter space.

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3597 Analysis of Contact Width and Contact Stress of Three-Layer Corrugated Metal Gasket

Authors: I. Made Gatot Karohika, Shigeyuki Haruyama, Ken Kaminishi, Oke Oktavianty, Didik Nurhadiyanto

Abstract:

Contact width and contact stress are important parameters related to the leakage behavior of corrugated metal gasket. In this study, contact width and contact stress of three-layer corrugated metal gasket are investigated due to the modulus of elasticity and thickness of surface layer for 2 type gasket (0-MPa and 400-MPa mode). A finite element method was employed to develop simulation solution to analysis the effect of each parameter. The result indicated that lowering the modulus of elasticity ratio of surface layer will result in better contact width but the average contact stresses are smaller. When the modulus of elasticity ratio is held constant with thickness ratio increase, its contact width has an increscent trend otherwise the average contact stress has decreased trend.

Keywords: Contact width, contact stress, layer, metal gasket, corrugated, simulation.

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3596 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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3595 Simulation of Complex-Shaped Particle Breakage Using the Discrete Element Method

Authors: Felix Platzer, Eric Fimbinger

Abstract:

In Discrete Element Method (DEM) simulations, the breakage behavior of particles can be simulated based on different principles. In the case of large, complex-shaped particles that show various breakage patterns depending on the scenario leading to the failure and often only break locally instead of fracturing completely, some of these principles do not lead to realistic results. The reason for this is that in said cases, the methods in question, such as the Particle Replacement Method (PRM) or Voronoi Fracture, replace the initial particle (that is intended to break) into several sub-particles when certain breakage criteria are reached, such as exceeding the fracture energy. That is why those methods are commonly used for the simulation of materials that fracture completely instead of breaking locally. That being the case, when simulating local failure, it is advisable to pre-build the initial particle from sub-particles that are bonded together. The dimensions of these sub-particles  consequently define the minimum size of the fracture results. This structure of bonded sub-particles enables the initial particle to break at the location of the highest local loads – due to the failure of the bonds in those areas – with several sub-particle clusters being the result of the fracture, which can again also break locally. In this project, different methods for the generation and calibration of complex-shaped particle conglomerates using bonded particle modeling (BPM) to enable the ability to depict more realistic fracture behavior were evaluated based on the example of filter cake. The method that proved suitable for this purpose and which furthermore  allows efficient and realistic simulation of breakage behavior of complex-shaped particles applicable to industrial-sized simulations is presented in this paper.

Keywords: Bonded particle model (BPM), DEM, filter cake, particle breakage, particle fracture.

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