Search results for: Simulation study

Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

Abstract:

The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

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Authors: F.C. Amadi, G. C. Enyi, G. G. Nasr

Abstract:

Hydraulic fracturing is one of the most important stimulation techniques available to the petroleum engineer to extract hydrocarbons in tight gas sandstones. It allows more oil and gas production in tight reservoirs as compared to conventional means. The main aim of the study is to optimize the hydraulic fracturing as technique and for this purpose three multi-zones layer formation is considered and fractured contemporaneously. The three zones are named as Zone1 (upper zone), Zone2 (middle zone) and Zone3 (lower zone) respectively and they all occur in shale rock. Simulation was performed with Mfrac integrated software which gives a variety of 3D fracture options. This simulation process yielded an average fracture efficiency of 93.8%for the three respective zones and an increase of the average permeability of the rock system. An average fracture length of 909 ft with net height (propped height) of 210 ft (average) was achieved. Optimum fracturing results was also achieved with maximum fracture width of 0.379 inches at an injection rate of 13.01 bpm with 17995 Mscf of gas production.

Keywords: Hydraulic fracturing, Mfrac, Optimisation, Tight reservoir.

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Authors: George Yungchih Wang

Abstract:

This paper argues that increased uncertainty, in certain situations, may actually encourage investment. Since earlier studies mostly base their arguments on the assumption of geometric Brownian motion, the study extends the assumption to alternative stochastic processes, such as mixed diffusion-jump, mean-reverting process, and jump amplitude process. A general approach of Monte Carlo simulation is developed to derive optimal investment trigger for the situation that the closed-form solution could not be readily obtained under the assumption of alternative process. The main finding is that the overall effect of uncertainty on investment is interpreted by the probability of investing, and the relationship appears to be an invested U-shaped curve between uncertainty and investment. The implication is that uncertainty does not always discourage investment even under several sources of uncertainty. Furthermore, high-risk projects are not always dominated by low-risk projects because the high-risk projects may have a positive realization effect on encouraging investment.

Keywords: real options, geometric Brownian motion, mixeddiffusion-jump process, mean- reverting process, jump amplitudeprocess

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Authors: Mohamed H. Elhsnawi, Mesbah M. Salem, Saleh B. Mohamed

Abstract:

Numerical simulation performed to investigate the behavior of the high pressure hydrogen jetting of air. High pressure hydrogen (30–40 MPa) was injected to air at atmospheric pressure through 2mm orifice. Numerical simulations were performed with Kiva3V code with 2D axisymmetric geometry. Numerical simulations showed that auto ignition of high pressure hydrogen to air are possible due to molecular diffusion. Auto ignition was predicted at hydrogen-air contact surface due to mass and energy exchange between high temperature hydrogen and air heated by shock wave.

Keywords: Spontaneous Ignition, Diffusion Ignition, Hydrogen ignition, Hydrogen Jet.

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Authors: Anwar H. Jarndal, Ahmed S. Elwakil

Abstract:

In this paper, a fraction-order model for pad parasitic effect of GaN HEMT on Si substrate is developed and validated. Open de-embedding structure is used to characterize and de-embed substrate loading parasitic effects. Unbiased device measurements are implemented to extract parasitic inductances and resistances. The model shows very good simulation for S-parameter measurements under different bias conditions. It has been found that this approach can improve the simulation of intrinsic part of the transistor, which is very important for small- and large-signal modeling process.

Keywords: Fractional-order modeling, GaN HEMT, Si-substrate, open de-embedding structure.

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Authors: Sin Yin Teh, Abdul Rahman Othman, Michael Boon Chong Khoo

Abstract:

In this paper, the concepts of dichotomous logistic regression (DLR) with leave-one-out (L-O-O) were discussed. To illustrate this, the L-O-O was run to determine the importance of the simulation conditions for robust test of spread procedures with good Type I error rates. The resultant model was then evaluated. The discussions included 1) assessment of the accuracy of the model, and 2) parameter estimates. These were presented and illustrated by modeling the relationship between the dichotomous dependent variable (Type I error rates) with a set of independent variables (the simulation conditions). The base SAS software containing PROC LOGISTIC and DATA step functions can be making used to do the DLR analysis.

Keywords: Dichotomous logistic regression, leave-one-out, testof spread.

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Authors: Yujie Zhao, Jiantao Weng

Abstract:

In the past decade, with the rapid development of China's economy, the purchasing power and physical demand of residents have been improved, which results in the vast emergence of public buildings like large shopping malls. However, the architects usually focus on the internal functions and streamlines of these buildings, ignoring the impact of the environment on the subjective feelings of building users. Only in Zhejiang province, the infiltration of cold air in winter frequently occurs at the entrance of sizeable commercial complex buildings that have been in operation, which will affect the environmental comfort of the building lobby and internal public spaces. At present, to reduce these adverse effects, it is usually adopted to add active equipment, such as setting air curtains to block air exchange or adding heating air conditioners. From the perspective of energy consumption, the infiltration of cold air into the entrance will increase the heat consumption of indoor heating equipment, which will indirectly cause considerable economic losses during the whole winter heating stage. Therefore, it is of considerable significance to explore the suitable entrance forms for improving the environmental comfort of commercial buildings and saving energy. In this paper, a commercial complex with apparent cold air infiltration problem in Hangzhou is selected as the research object to establish a model. The environmental parameters of the building entrance, including temperature, wind speed, and infiltration air volume, are obtained by Computational Fluid Dynamics (CFD) simulation, from which the heat consumption caused by the natural air infiltration in the winter and its potential economic loss is estimated as the objective metric. This study finally obtains the optimization direction of the building entrance form of the commercial complex by comparing the simulation results of other local commercial complex projects with different entrance forms. The conclusions will guide the entrance design of the same type of commercial complex in this area.

Keywords: Air infiltration, commercial complex, heat consumption, CFD simulation.

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Authors: Li Xu, Huanbao Jiang, Zhenfei Huang, Lailai Zhang

Abstract:

In recent years, as global warming, the sea-ice extent of North Arctic undergoes an evident decrease and Arctic channel has attracted the attention of shipping industry. Ice crystals existing in the seawater of Arctic channel which enter the seawater system of the ship with the seawater were found blocking the seawater pipe. The appearance of cooler paralysis, auxiliary machine error and even ship power system paralysis may be happened if seriously. In order to reduce the effect of high temperature in auxiliary equipment, seawater system will use external ice-water to participate in the cooling cycle and achieve the state of its flow. The distribution of ice crystals in seawater pipe can be achieved. As the ice slurry system is solid liquid two-phase system, the flow process of ice-water mixture is very complex and diverse. In this paper, the flow process in seawater pipe of ice slurry is simulated with fluid dynamics simulation software based on k-ε turbulence model. As the ice packing fraction is a key factor effecting the distribution of ice crystals, the influence of ice packing fraction on the flowing process of ice slurry is analyzed. In this work, the simulation results show that as the ice packing fraction is relatively large, the distribution of ice crystals is uneven in the flowing process of the seawater which has such disadvantage as increase the possibility of blocking, that will provide scientific forecasting methods for the forming of ice block in seawater piping system. It has important significance for the reliability of the operating of polar ships in the future.

Keywords: Ice slurry, seawater pipe, ice packing fraction, numerical simulation.

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Authors: A. Badoud, M. Khemliche, S. Latreche

Abstract:

The main objective developed in this paper is to find a graphic technique for modeling, simulation and diagnosis of the industrial systems. This importance is much apparent when it is about a complex system such as the nuclear reactor with pressurized water of several form with various several non-linearity and time scales. In this case the analytical approach is heavy and does not give a fast idea on the evolution of the system. The tool Bond Graph enabled us to transform the analytical model into graphic model and the software of simulation SYMBOLS 2000 specific to the Bond Graphs made it possible to validate and have the results given by the technical specifications. We introduce the analysis of the problem involved in the faults localization and identification in the complex industrial processes. We propose a method of fault detection applied to the diagnosis and to determine the gravity of a detected fault. We show the possibilities of application of the new diagnosis approaches to the complex system control. The industrial systems became increasingly complex with the faults diagnosis procedures in the physical systems prove to become very complex as soon as the systems considered are not elementary any more. Indeed, in front of this complexity, we chose to make recourse to Fault Detection and Isolation method (FDI) by the analysis of the problem of its control and to conceive a reliable system of diagnosis making it possible to apprehend the complex dynamic systems spatially distributed applied to the standard pressurized water nuclear reactor.

Keywords: Bond Graph, Modeling, Simulation, Monitoring, Analytical Redundancy Relations, Pressurized Water Reactor, Directed Graph.

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Authors: Muhammad T. Alam, Zheng Da Wu

Abstract:

In this research, we propose a weighted class based queuing (WCBQ) mechanism to provide class differentiation and to reduce the load for the IMS (IP Multimedia Subsystem) presence server (PS). The tasks of admission controller for the PS are demonstrated. Analysis and simulation models are developed to quantify the performance of WCBQ scheme. An optimized dropping time frame has been developed based on which some of the preexisting messages are dropped from the PS-buffer. Cost functions are developed and simulation comparison has been performed with FCFS (First Come First Served) scheme. The results show that the PS benefits significantly from the proposed queuing and dropping algorithm (WCBQ) during heavy traffic.

Keywords: Admission control, presence, queuing.

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Authors: Moaz H. Ali, M. N. M. Ansari

Abstract:

This paper presents a study the effect of nose radius (Rz-mm) on cutting force components and temperatures during the machining simulation in an orthogonal cutting process for titanium alloy (Ti-6Al-4V). The cutting process was performed at various nose radiuses (Rz-mm) while the depth of cut (d-mm), feed rate (fmm/ tooth) and cutting speed (vc-m/ min) were remained constant. The main cutting force (Fc), feed cutting force (Ft) and temperatures were estimated by using finite element modeling (FEM) through ABAQUS/EXPLICIT software and the simulation was developed the two-dimension via an orthogonal cutting process during machining titanium alloy (Ti-6Al-4V). The results led to the conclusion that the nose radius (Rz-mm) has affected directly on the cutting force components. However, temperature gave no indication or has no significant relation with nose radius during machining titanium alloy (Ti-6Al-4V). Hence, any increase or decrease in the nose radius (Rzmm) during machining operation led to effect on the cutting forces and thus it will be effective on surface finish, quality, and quantity of products.

Keywords: Finite element modeling (FEM), nose radius, cutting force, temperature, titanium alloy (Ti-6Al-4V).

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Authors: Muammer Ozkan, Orkun Ozener, Irfan Yavasliol

Abstract:

The fuel cost of the motor vehicle operating on its common route is an important part of the operating cost. Therefore, the importance of the fuel saving is increasing day by day. One of the parameters which improve fuel saving is the regulation of driving characteristics. The number and duration of stop is increased by the heavy traffic load. It is possible to improve the fuel saving with regulation of traffic flow and driving characteristics. The researches show that the regulation of the traffic flow decreases fuel consumption, but it is not enough to improve fuel saving without the regulation of driving characteristics. This study analyses the fuel consumption of two trips of city bus operating on its common route and determines the effect of traffic density and driving characteristics on fuel consumption. Finally it offers some suggestions about regulation of driving characteristics to improve the fuel saving. Fuel saving is determined according to the results obtained from simulation program. When experimental and simulation results are compared, it has been found that the fuel saving was reached up the to 40 percent ratios.

Keywords: Fuel Consumption, Fuel Economy, Driving Characteristics, Optimization

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Authors: Ehan Sabah Shukri, Wirachman Wisnoe

Abstract:

The influence of twist arrangement on the temperature distribution in an annular diffuser fitted with twisted rectangular hub is investigated. Different pitches (Y = 120 mm, 100 mm, 80 mm, and 60 mm) for the twist arrangements are simulated to be compared. The geometry of the annular diffuser and the inlet condition for the hub arrangements are kept constant. The result reveals that using twisted rectangular hub insert with different pitches will force the temperature to distribute in a circular direction. However, temperature distribution will be enhanced with the length pitch increases.

Keywords: Numerical simulation, twist arrangement, annular diffuser, temperature distribution, swirl flow, pitches.

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Authors: Abdullah Y. Al-Hossain

Abstract:

This paper considers inference under progressive type II censoring with a compound Rayleigh failure time distribution. The maximum likelihood (ML), and Bayes methods are used for estimating the unknown parameters as well as some lifetime parameters, namely reliability and hazard functions. We obtained Bayes estimators using the conjugate priors for two shape and scale parameters. When the two parameters are unknown, the closed-form expressions of the Bayes estimators cannot be obtained. We use Lindley.s approximation to compute the Bayes estimates. Another Bayes estimator has been obtained based on continuous-discrete joint prior for the unknown parameters. An example with the real data is discussed to illustrate the proposed method. Finally, we made comparisons between these estimators and the maximum likelihood estimators using a Monte Carlo simulation study.

Keywords: Progressive type II censoring, compound Rayleigh failure time distribution, maximum likelihood estimation, Bayes estimation, Lindley's approximation method, Monte Carlo simulation.

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Authors: Gábor Szűcs, Gyula Sallai

Abstract:

The goal of this paper is to find Wardrop equilibrium in transport networks at case of uncertainty situations, where the uncertainty comes from lack of information. We use simulation tool to find the equilibrium, which gives only approximate solution, but this is sufficient for large networks as well. In order to take the uncertainty into account we have developed an interval-based procedure for finding the paths with minimal cost using the Dempster-Shafer theory. Furthermore we have investigated the users- behaviors using game theory approach, because their path choices influence the costs of the other users- paths.

Keywords: Dempster-Shafer theory, S-O and U-Otransportation network, uncertainty of information, Wardropequilibrium.

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Authors: P. Valdez, M. Pelissero, A. Haim, F. Muiño, F. Galia, R. Tula

Abstract:

As a result of the studies performed on the wave energy resource worldwide, a research project was set up to harvest wave energy for its conversion into electrical energy. Within this framework, a theoretical model of the electromechanical energy harvesting system, developed with MATLAB’s Simulink software, will be provided. This tool recreates the site conditions where the device will be installed and offers valuable information about the amount of energy that can be harnessed. This research provides a deeper understanding of the utilization of wave energy in order to improve the efficiency of a 1:1 scale prototype of the device.

Keywords: Electromechanical device, modeling, renewable energy, sea wave energy, simulation.

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Authors: Malik I. Al-Amayreh, Mohammad I. Kilani, Ahmed S. Al-Salaymeh

Abstract:

This work presents a Computational Fluid Dynamics (CFD) simulation of a butterfly valve used to control the flow of combustible gas mixture in an industrial process setting.The work uses CFD simulation to analyze the flow characteristics in the vicinity of the valve, including the pressure distributions and Frequency spectrum of the pressure pulsations downstream the valves and the vortex shedding allow predicting the torque fluctuations acting on the valve shaft and the possibility of generating mechanical vibration and resonance.These fluctuations are due to aerodynamic torque resulting from fluid turbulence and vortex shedding in the valve vicinity. The valve analyzed is located in a pipeline between two opposing 90o elbows, which exposes the valve and the surrounding structure to the turbulence generated upstream and downstream the elbows at either end of the pipe.CFD simulations show that the best location for the valve from a vibration point of view is in the middle of the pipe joining the elbows.

Keywords: Butterfly Valve Vibration Analysis, Computational Fluid Dynamics, Fluid Flow Circuit Design, Fluid Mechanics.

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Authors: Shiv Shankar Mishra, S. Wairya, R. K. Nagaria, S. Tiwari

Abstract:

New methodologies for XOR-XNOR circuits are proposed to improve the speed and power as these circuits are basic building blocks of many arithmetic circuits. This paper evaluates and compares the performance of various XOR-XNOR circuits. The performance of the XOR-XNOR circuits based on TSMC 0.18μm process models at all range of the supply voltage starting from 0.6V to 3.3V is evaluated by the comparison of the simulation results obtained from HSPICE. Simulation results reveal that the proposed circuit exhibit lower PDP and EDP, more power efficient and faster when compared with best available XOR-XNOR circuits in the literature.

Keywords: Exclusive-OR (XOR), Exclusive-NOR (XNOR), High speed, Low power, Arithmetic Circuits.

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Authors: P. Javid, A. Aeenmehr, J. Taghavifar

Abstract:

In this paper, supply air pressure of HVAC system has been modeled with second-order transfer function plus dead-time. In HVAC system, the desired input has step changes, and the output of proposed control system should be able to follow the input reference, so the idea of using model based predictive control is proceeded and designed in this paper. The closed loop control system is implemented in MATLAB software and the simulation results are provided. The simulation results show that the model based predictive control is able to control the plant properly.

Keywords: Air conditioning system, GPC, dead time, Air supply control.

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Authors: M. Rezki, A. Belaidi

Abstract:

This paper deals with a method of learning to solve a real problem in biomedical engineering from a technical study of muscle fatigue. Electromyography (EMG) is a technique for evaluating and recording the electrical activity produced by skeletal muscles (viewpoint: anatomical and physiological). EMG is used as a diagnostics tool for identifying neuromuscular diseases, assessing low-back pain and muscle fatigue in general. In order to study the EMG signal for detecting fatigue in a muscle, we have taken a real problem which touches the tramway conductor the handle bar. For the study, we have used a typical autonomous platform in order to get signals at real time. In our case study, we were confronted with complex problem to do our experiments in a tram. This type of problem is recurring among students. To teach our students the method to solve this kind of problem, we built a similar system. Through this study, we realized a lot of objectives such as making the equipment for simulation, the study of detection of muscle fatigue and especially how to manage a study of biomedical looking.

Keywords: EMG, health platform, conductor’s tram, muscle fatigue.

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Authors: T. Esmaeili, A. A. Dehghani, A. R. Zahiri, K. Suzuki

Abstract:

Due to the three- dimensional flow pattern interacting with bed material, the process of local scour around bridge piers is complex. Modeling 3D flow field and scour hole evolution around a bridge pier is more feasible nowadays because the computational cost and computational time have significantly decreased. In order to evaluate local flow and scouring around a bridge pier, a completely three-dimensional numerical model, SSIIM program, was used. The model solves 3-D Navier-Stokes equations and a bed load conservation equation. The model was applied to simulate local flow and scouring around a bridge pier in a large natural river with four piers. Computation for 1 day of flood condition was carried out to predict the maximum local scour depth. The results show that the SSIIM program can be used efficiently for simulating the scouring in natural rivers. The results also showed that among the various turbulence models, the k-ω model gives more reasonable results.

Keywords: Bridge piers, flood, numerical simulation, SSIIM.

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Authors: G. Sokhansefat, M. Delavar, M. Banedj-Schafii

Abstract:

Recently research on human wayfinding has focused mainly on mental representations rather than processes of wayfinding. The objective of this paper is to demonstrate the rationality behind applying multi-agent simulation paradigm to the modeling of rescuer team wayfinding in order to develop computational theory of perceptual wayfinding in crisis situations using image schemata and affordances, which explains how people find a specific destination in an unfamiliar building such as a hospital. The hypothesis of this paper is that successful navigation is possible if the agents are able to make the correct decision through well-defined cues in critical cases, so the design of the building signage is evaluated through the multi-agent-based simulation. In addition, a special case of wayfinding in a building, finding one-s way through three hospitals, is used to demonstrate the model. Thereby, total rescue time for rescue operation during building fire is computed. This paper discuses the computed rescue time for various signage localization and provides experimental result for optimization of building signage design. Therefore the most appropriate signage design resulted in the shortest total rescue time in various situations.

Keywords: Multi-Agent system (MAS), Spatial Cognition, Wayfinding, Indoor Environment, Geospatial Information System (GIS).

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Authors: A. Alkattib, M. Boumaza

Abstract:

Steam reforming is industrially important as it is  incorporated in several major chemical processes including the  production of ammonia, methanol, hydrogen and ox alcohols. Due to  the strongly endothermic nature of the process, a large amount of heat  is supplied by fuel burning (commonly natural gas) in the furnace  chamber. Reaction conversions, tube catalyst life, energy  consumption and CO2 emission represent the principal factors  affecting the performance of this unit and are directly influenced by  the high operating temperatures and pressures.  This study presents a simulation of the performance of the  reforming of methane in a primary reformer, through a developed  empirical relation which enables to investigate the effects of  operating parameters such as the pressure, temperature, steam to  carbon ratio on the production of hydrogen, as well as the fraction of  non converted methane.  It appears from this analysis that the exit temperature Te, the  operating pressure as well the steam to carbon ratio has an important  effect on the reforming of methane.

 

Keywords: Reforming, methane, performance, hydrogen, parameters.

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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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Authors: Jiří Barta

Abstract:

At the present time, awareness, education, computer simulation and information systems protection are very serious and relevant topics. The article deals with perspectives and possibilities of implementation of emergence or natural hazard threats into the system which is developed for communication among members of crisis management staffs. The Czech Hydro-Meteorological Institute with its System of Integrated Warning Service resents the largest usable base of information. National information systems are connected to foreign systems, especially to flooding emergency systems of neighboring countries, systems of European Union and international organizations where the Czech Republic is a member. Use of outputs of particular information systems and computer simulations on a single communication interface of information system for communication among members of crisis management staff and setting the site interoperability in the net will lead to time savings in decision-making processes in solving extraordinary events and crisis situations. Faster managing of an extraordinary event or a crisis situation will bring positive effects and minimize the impact of negative effects on the environment.

Keywords: Computer simulation, communication, continuity, critical infrastructure, information systems, safety.

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Authors: Miled Amel, Ben Maad Hatem, Askri Faouzi, Ben Nasrallah Sassi

Abstract:

Metal hydride water pumping system uses hydrogen as working fluid to pump water for low head and high discharge. The principal operation of this pump is based on the desorption of hydrogen at high pressure and its absorption at low pressure by a metal hydride. This work is devoted to study a concept of the dynamic behavior of a metal hydride pump using unsteady model and LaNi5 as hydriding alloy. This study shows that with MHP, it is possible to pump 340l/kg-cycle of water in 15 000s using 1 Kg of LaNi5 at a desorption temperature of 360 K, a pumping head equal to 5 m and a desorption gear ratio equal to 33. This study reveals also that the error given by the steady model, using LaNi5 is about 2%.A dimensional mathematical model and the governing equations of the pump were presented to predict the coupled heat and mass transfer within the MHP. Then, a numerical simulation is carried out to present the time evolution of the specific water discharge and to test the effect of different parameters (desorption temperature, absorption temperature, desorption gear ratio) on the performance of the water pumping system (specific water discharge, pumping efficiency and pumping time). In addition, a comparison between results obtained with steady and unsteady model is performed with different hydride mass. Finally, a geometric configuration of the reactor is simulated to optimize the pumping time.

Keywords: Dynamic behavior, unsteady model, LaNi5, performance of the water pumping system.

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Authors: Stéphanie Pellerin, Bérengére Podvin, Luc Pastur

Abstract:

In aerovehicles context, the flow around an Ahmed body profile is simulated using the velocity-vorticity formulation of the Navier-Stokes equations, associated to a penalization method for solids and Large Eddy Simulation for turbulence. The study focuses both on the ground influence on the flow and on the dissymetry of the wake, observed for a ground clearance greater than 10% of the body height H. Unsteady and mean flows are presented and analyzed. POD study completes the analysis and gives information on the most energetic structures of the flow.

Keywords: Ahmed body, bi-stability, LES, near wake.

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Authors: Nurul Bahiyah Ahmad Khairudin, Habibah A Wahab

Abstract:

A new approach to predict the 3D structures of proteins by combining the knowledge-based method and Molecular Dynamics Simulation is presented on the chicken villin headpiece subdomain (HP-36). Comparative modeling is employed as the knowledge-based method to predict the core region (Ala9-Asn28) of the protein while the remaining residues are built as extended regions (Met1-Lys8; Leu29-Phe36) which then further refined using Molecular Dynamics Simulation for 120 ns. Since the core region is built based on a high sequence identity to the template (65%) resulting in RMSD of 1.39 Å from the native, it is believed that this well-developed core region can act as a 'nucleation center' for subsequent rapid downhill folding. Results also demonstrate that the formation of the non-native contact which tends to hamper folding rate can be avoided. The best 3D model that exhibits most of the native characteristics is identified using clustering method which then further ranked based on the conformational free energies. It is found that the backbone RMSD of the best model compared to the NMR-MDavg is 1.01 Å and 3.53 Å, for the core region and the complete protein, respectively. In addition to this, the conformational free energy of the best model is lower by 5.85 kcal/mol as compared to the NMR-MDavg. This structure prediction protocol is shown to be effective in predicting the 3D structure of small globular protein with a considerable accuracy in much shorter time compared to the conventional Molecular Dynamics simulation alone.

Keywords: 3D model, Chicken villin headpiece subdomain, Molecular dynamic simulation NMR-MDavg, RMSD.

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Authors: Francois T. Pronk, Steven J. Hulshoff

Abstract:

A study of various turbulent inflow generation methods was performed to compare their relative effectiveness for LES computations of turbulent boundary layers. This study confirmed the quality of the turbulent information produced by the family of recycling and rescaling methods which take information from within the computational domain. Furthermore, more general inflow methods also proved applicable to such simulations, with a precursor-like inflow and a random inflow augmented with forcing planes showing promising results.

Keywords: Boundary layer, Flat plate, Inflow modeling, LES

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Authors: S. Ganesh, L. Raguraman, E. Anushya, J. krishnasree

Abstract:

Voltage sags are the most common power quality disturbance in the distribution system. It occurs due to the fault in the electrical network or by the starting of a large induction motor and this can be solved by using the custom power devices such as Dynamic Voltage Restorer (DVR). In this paper DVR is proposed to compensate voltage sags on critical loads dynamically. The DVR consists of VSC, injection transformers, passive filters and energy storage (lead acid battery). By injecting an appropriate voltage, the DVR restores a voltage waveform and ensures constant load voltage. The simulation and experimental results of a DVR using MATLAB software shows clearly the performance of the DVR in mitigating voltage sags.

Keywords: Dynamic voltage restorer, Voltage sags, Power quality, Injection methods.

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