Search results for: Simulation. 60 GHz band

Authors: Mrinmoy Dhara, Vivek K. Sengar, Shovan L. Chattoraj, Soumiya Bhattacharjee

Abstract:

Remote sensing techniques have emerged as an asset for various geological studies. Satellite images obtained by different sensors contain plenty of information related to the terrain. Digital image processing further helps in customized ways for the prospecting of minerals. In this study, an attempt has been made to map the hydrothermally altered zones using multispectral and hyperspectral datasets of South East Rajasthan. Advanced Space-borne Thermal Emission and Reflection Radiometer (ASTER) and Hyperion (Level1R) dataset have been processed to generate different Band Ratio Composites (BRCs). For this study, ASTER derived BRCs were generated to delineate the alteration zones, gossans, abundant clays and host rocks. ASTER and Hyperion images were further processed to extract mineral end members and classified mineral maps have been produced using Spectral Angle Mapper (SAM) method. Results were validated with the geological map of the area which shows positive agreement with the image processing outputs. Thus, this study concludes that the band ratios and image processing in combination play significant role in demarcation of alteration zones which may provide pathfinders for mineral prospecting studies.

Keywords: Advanced space-borne thermal emission and reflection radiometer, ASTER, Hyperion, Band ratios, Alteration zones, spectral angle mapper.

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

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

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

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Authors: N. Sozbir, M. Bulut, M.F.Oktem, A.Kahriman, A. Chaix

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TUSAT is a prospective Turkish Communication Satellite designed for providing mainly data communication and broadcasting services through Ku-Band and C-Band channels. Thermal control is a vital issue in satellite design process. Therefore, all satellite subsystems and equipments should be maintained in the desired temperature range from launch to end of maneuvering life. The main function of the thermal control is to keep the equipments and the satellite structures in a given temperature range for various phases and operating modes of spacecraft during its lifetime. This paper describes the thermal control design which uses passive and active thermal control concepts. The active thermal control is based on heaters regulated by software via thermistors. Alternatively passive thermal control composes of heat pipes, multilayer insulation (MLI) blankets, radiators, paints and surface finishes maintaining temperature level of the overall carrier components within an acceptable value. Thermal control design is supported by thermal analysis using thermal mathematical models (TMM).

Keywords: Spacecraft thermal control, design of thermal control.

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Authors: A.L.Deghal.Cheridi, A.Chaker, A.Loubar

Abstract:

loss of feedwater accident is one of the frequently sever accidents in steam boiler facilities. It threatens the system structural integrity and generates serious hazards and economic loses. The safety analysis of the thermal installations, based extensively on the numeric simulation. The simulation analysis using realistic computer codes like Relap5/Mod3.2 will help understand steam boiler thermal-hydraulic behavior during normal and abnormal conditions. In this study, we are interested on the evaluation of the radiant steam boiler assessment and response to loss-of-feedwater accident. Pressure, temperature and flow rate profiles are presented in various steam boiler system components. The obtained results demonstrate the importance and capability of the Relap5/Mod3.2 code in the thermal-hydraulic analysis of the steam boiler facilities.

Keywords: Radiant steam boiler, Relap5/Mod3.2 code system, Steady-state simulation, Transient simulation, Loss of feedwateraccident

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Authors: Zina Saheb, Ezz El-Masry

Abstract:

As the Silicon oxide scaled down in MOSFET technology to few nanometers, gate Direct Tunneling (DT) in Floating gate (FGMOSFET) devices has become a major concern for analog designers. FGMOSFET has been used in many low-voltage and low-power applications, however, there is no accurate model that account for DT gate leakage in nano-scale. This paper studied and analyzed different simulation models for FGMOSFET using TSMC 90-nm technology. The simulation results for FGMOSFET cascade current mirror shows the impact of DT on circuit performance in terms of current and voltage without the need for fabrication. This works shows the significance of using an accurate model for FGMOSFET in nan-scale technologies.

Keywords: CMOS transistor, direct-tunneling current, floatinggate, gate-leakage current, simulation model.

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Authors: J. Davoodi, F. Katouzi

Abstract:

The aim of this research was to calculate the thermal properties of Au3Ni Nanowire. The molecular dynamics (MD) simulation technique was used to obtain the effect of radius size on the energy, the melting temperature and the latent heat of fusion at the isobaric-isothermal (NPT) ensemble. The Quantum Sutton-Chen (Q-SC) many body interatomic potentials energy have been used for Gold (Au) and Nickel (Ni) elements and a mixing rule has been devised to obtain the parameters of these potentials for nanowire stats. Our MD simulation results show the melting temperature and latent heat of fusion increase upon increasing diameter of nanowire. Moreover, the cohesive energy decreased with increasing diameter of nanowire.

Keywords: Au3Ni Nanowire, Thermal properties, Molecular dynamics simulation

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Authors: K. Movagharnejad, M. Akbari

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Carbon dioxide capture process has been simulated and studied under different process conditions. It has been shown that several process parameters such as lean amine temperature, number of adsorber stages, number of stripper stages and stripper pressure affect different process conditions and outputs such as carbon dioxide removal and reboiler duty. It may be concluded that the simulation of carbon dioxide capture process can help to estimate the best process conditions.

Keywords: Absorption, carbon dioxide capture, desorption, process simulation.

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Authors: M. Alrasheedi

Abstract:

The double exponential model (DEM), or Laplace distribution, is used in various disciplines. However, there are issues related to the construction of confidence intervals (CI), when using the distribution.In this paper, the properties of DEM are considered with intention of constructing CI based on simulated data. The analysis of pivotal equations for the models here in comparisons with pivotal equations for normal distribution are performed, and the results obtained from simulation data are presented.

Keywords: Confidence intervals, double exponential model, pivotal equations, simulation

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Authors: A. Benmerkhi, A. Bounouioua, M. Bouchemat, T. Bouchemat

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In this paper, we present a numerical optical properties of a triangular periodic lattice of elliptical air holes. We report the influence of the ratio (semi-major axis length of elliptical hole to the filling ratio) on the photonic band gap. Then by using the finite difference time domain (FDTD) algorithm, the resonant wavelength of the point defect microcavities in a two-dimensional photonic crystal (PC) shifts towards the low wavelengths with significantly increased filing ratio. It can be noted that the Q factor is gradually changed to higher when the filling ratio increases. It is due to an increase in reflectivity of the PC mirror. Also we theoretically investigate the H1 cavity, where the value of semi-major axis (Rx) of the six holes surrounding the cavity are fixed at 0.5a and the Rx of the two edge air holes are fixed at the optimum value of 0.52a. The highest Q factor of 4.1359 × 10⁶ is achieved at the resonant mode located at λ = 1.4970 µm.

Keywords: Photonic crystal, microcavity, filling ratio, elliptical holes.

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Authors: Srinivas Bathini, Duraichelvan Raju, Simona Badilescu, Muthukumaran Packirisamy

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A bio-sensing method, based on the plasmonic property of gold nano-islands, has been developed for detection of exosomes in a clinical setting. The position of the gold plasmon band in the UV-Visible spectrum depends on the size and shape of gold nanoparticles as well as on the surrounding environment. By adsorbing various chemical entities, or binding them, the gold plasmon band will shift toward longer wavelengths and the shift is proportional to the concentration. Exosomes transport cargoes of molecules and genetic materials to proximal and distal cells. Presently, the standard method for their isolation and quantification from body fluids is by ultracentrifugation, not a practical method to be implemented in a clinical setting. Thus, a versatile and cutting-edge platform is required to selectively detect and isolate exosomes for further analysis at clinical level. The new sensing protocol, instead of antibodies, makes use of a specially synthesized polypeptide (Vn96), to capture and quantify the exosomes from different media, by binding the heat shock proteins from exosomes. The protocol has been established and optimized by using a glass substrate, in order to facilitate the next stage, namely the transfer of the protocol to a microfluidic environment. After each step of the protocol, the UV-Vis spectrum was recorded and the position of gold Localized Surface Plasmon Resonance (LSPR) band was measured. The sensing process was modelled, taking into account the characteristics of the nano-island structure, prepared by thermal convection and annealing. The optimal molar ratios of the most important chemical entities, involved in the detection of exosomes were calculated as well. Indeed, it was found that the results of the sensing process depend on the two major steps: the molar ratios of streptavidin to biotin-PEG-Vn96 and, the final step, the capture of exosomes by the biotin-PEG-Vn96 complex. The microfluidic device designed for sensing of exosomes consists of a glass substrate, sealed by a PDMS layer that contains the channel and a collecting chamber. In the device, the solutions of linker, cross-linker, etc., are pumped over the gold nano-islands and an Ocean Optics spectrometer is used to measure the position of the Au plasmon band at each step of the sensing. The experiments have shown that the shift of the Au LSPR band is proportional to the concentration of exosomes and, thereby, exosomes can be accurately quantified. An important advantage of the method is the ability to discriminate between exosomes having different origins.

Keywords: Exosomes, gold nano-islands, microfluidics, plasmonic biosensing.

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Authors: Pornthep Navakitkanok, Ammarin Pimnoo, Seksan Jaturat

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THEOS is the first earth observation spacecraft of Thailand which was launched on the 1st October 2008 and is currently operated by GISTDA. The transfer phase has been performed by Astrium Flight Dynamics team leading to a hand over to GISTDA teams starting mid-October 2008. The THEOS spacecraft-s orbit is LEO and has the same repetitivity (14+5/26) as the SPOT spacecraft, i.e. the same altitude of 822 km but it has a different mean local solar time (LST). Ground track maintenance manoeuvres are performed to maintain the ground track within a predefined control band around the reference ground track and the band is ±40 km for THEOS spacecraft. This paper presents the first ground track maintenance manoeuvre of THEOS spacecraft and the detailed results. In addition, it also includes one and a half year of operation as seen by GISTDA operators. It finally describes the foreseenable activities for the next orbit control manoeuvre (OCM) preparation.

Keywords: Orbit Control Manoeuvre, Ground Track Error, Local Solar Time Error, LEO, THEOS

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Authors: Ruibiao J. Guo, Brad Cain, Pierre Meunier

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The Integrated Performance Modelling Environment (IPME) is a powerful simulation engine for task simulation and performance analysis. However, it has no high level cognition such as memory and reasoning for complex simulation. This article introduces a knowledge representation and reasoning scheme that can accommodate uncertainty in simulations of military personnel with IPME. This approach demonstrates how advanced reasoning models that support similarity-based associative process, rule-based abstract process, multiple reasoning methods and real-time interaction can be integrated with conventional task network modelling to provide greater functionality and flexibility when modelling operator performance.

Keywords: Computer-Generated Forces, Human Behaviour Representation, IPME, Modelling and Simulation, Uncertainty Reasoning

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Authors: Dawit Mengistu, Lars Lundberg, Paul Davidsson

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A major requirement for Grid application developers is ensuring performance and scalability of their applications. Predicting the performance of an application demands understanding its specific features. This paper discusses performance modeling and prediction of multi-agent based simulation (MABS) applications on the Grid. An experiment conducted using a synthetic MABS workload explains the key features to be included in the performance model. The results obtained from the experiment show that the prediction model developed for the synthetic workload can be used as a guideline to understand to estimate the performance characteristics of real world simulation applications.

Keywords: Grid computing, Performance modeling, Performance prediction, Multi-agent simulation.

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Authors: Moustafa Ahmed, Ahmed Bakry, Fumio Koyama

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We report on the use of strong external optical feedback to enhance the modulation response of semiconductor lasers over a frequency passband around modulation frequencies higher than 60 GHz. We show that this modulation enhancement is a type of photon-photon resonance (PPR) of oscillating modes in the external cavity formed between the laser and the external reflector. The study is based on a time-delay rate equation model that takes into account both the strong feedback and multiple reflections in the external cavity. We examine the harmonic and intermodulation distortions associated with single and two-tone modulations in the mm-wave band of the resonant modulation. We show that compared with solitary lasers modulated around the carrier-photon resonance frequency, the present mm-wave modulated signal has lower distortions.

Keywords: Distortion, intensity modulation, optical feedback, semiconductor laser.

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Authors: Tao Tao, Wang Jing, Cao Zhisong, Liu Yi, Qie Dianfu

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The precision of heat flux simulation influences the temperature field and test aberration for TB test and also reflects the test level for spacecraft development. This paper describes TB tests for a small satellite using solar simulator, electric heaters, calrod heaters to evaluate the difference of the three methods. Under the same boundary condition, calrod heaters cases were about 6oC higher than solar simulator cases and electric heaters cases for non-external-heat-flux cases (extreme low temperature cases). While calrod heaters cases and electric heaters cases were 5~7oC and 2~3oC lower than solar simulator cases respectively for high temperature cases. The results show that the solar simulator is better than calrod heaters for its better collimation, non-homogeneity and stability.

Keywords: solar simulation, infrared simulation, TB test, TMM

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Authors: G. Kehl, P. Wagner

Abstract:

A novel simulation method to determine the displacements of machine tools due to thermal factors is presented. The specific characteristic of this method is the employment of original CAD data from the design process chain, which is interpreted by an algorithm in terms of geometry-based allocation of convection and radiation parameters. Furthermore analogous models relating to the thermal behaviour of machine elements are automatically implemented, which were gained by extensive experimental testing with thermography imaging. With this a transient simulation of the thermal field and in series of the displacement of the machine tool is possible simultaneously during the design phase. This method was implemented and is already used industrially in the design of machining centres in order to improve the quality of herewith manufactured workpieces.

Keywords: Accuracy, design process, finite element analysis, machine tools, thermal simulation.

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Authors: Ilya Kavalchuk, Hayrettin Arisoy, Alex Stojcevski, Aman Maun Than Oo

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Electric vehicles are one of the most complicated electric devices to simulate due to the significant number of different processes involved in electrical structure of it. There are concurrent processes of energy consumption and generation with different onboard systems, which make simulation tasks more complicated to perform. More accurate simulation on energy consumption can provide a better understanding of all energy management for electric transport. As a result of all those processes, electric transport can allow for a more sustainable future and become more convenient in relation to the distance range and recharging time. This paper discusses the problems of energy consumption simulations for electric vehicles using different software packages to provide ideas on how to make this process more precise, which can help engineers create better energy management strategies for electric vehicles.

Keywords: Electric Vehicles, EV, Power Consumption, Power Management, Simulation.

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Authors: Mohamed Adel Sennouni, Jamal Zbitou, Benaissa Abboud, Abdelwahed Tribak, Hamid Bennis, Mohamed Latrach

Abstract:

A compact UWB planar antenna fed with a microstrip-line is proposed. The new design consist of a rectangular patch with symmetric l-shaped slots and fed by 50 Ω microstrip transmission line and a reduced ground-plane which have a periodic slots with an overall size of 47 mm x 20 mm. It is intended to be used in wireless applications that cover the ultra-wideband (UWB) frequency band. A wider impedance bandwidth of around 116.5% (1.875 – 7.115 GHz) with stable radiation pattern is achieved. The proposed antenna has excellent characteristics, low profile and costeffective compared to existing UWB antennas. The UWB antenna is designed and analyzed using CST Microwave Studio in transient mode to verify antenna parameters improvements.

Keywords: UWB Planar Antenna, L-shaped Slots, Wireless Applications, impedance band-width, radiation pattern, CST Microwave Studio.

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Authors: E. Al Daoud

Abstract:

In many cases, theoretical treatments are available for models for which there is no perfect physical realization. In this situation, the only possible test for an approximate theoretical solution is to compare with data generated from a computer simulation. In this paper, Monte Carlo tools are used to study and compare the elementary particles models. All the experiments are implemented using 10000 events, and the simulated energy is 13 TeV. The mean and the curves of several variables are calculated for each model using MadAnalysis 5. Anomalies in the results can be seen in the muons masses of the minimal supersymmetric standard model and the two Higgs doublet model.

Keywords: Feynman rules, hadrons, Lagrangian, Monte Carlo, simulation.

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Authors: Cesar Hernández, Diego Giral, Fernando Santa

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Spectrum handover is a significant topic in the cognitive radio networks to assure an efficient data transmission in the cognitive radio user’s communications. This paper proposes a comparison between three spectrum handover models: VIKOR, SAW and MEW. Four evaluation metrics are used. These metrics are, accumulative average of failed handover, accumulative average of handover performed, accumulative average of transmission bandwidth and, accumulative average of the transmission delay. As a difference with related work, the performance of the three spectrum handover models was validated with captured data of spectrum occupancy in experiments performed at the GSM frequency band (824 MHz - 849 MHz). These data represent the actual behavior of the licensed users for this wireless frequency band. The results of the comparison show that VIKOR Algorithm provides a 15.8% performance improvement compared to SAW Algorithm and, it is 12.1% better than the MEW Algorithm.

Keywords: Cognitive radio, decision making, MEW, SAW, spectrum handover, VIKOR.

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Authors: Sikder Mohammad Faruk, Mir Mofajjal Hossain, Muhibul Haque Bhuyan

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In this investigative research paper, we have presented the simulation results of a three-phase rectifier circuit to improve the input side current using the passive filters, such as capacitors and inductors at the output and input terminals of the rectifier circuit respectively. All simulation works were performed in a personal computer using the PSPICE simulator software, which is a virtual circuit design and simulation software package. The output voltages and currents were measured across a resistive load of 1 k. We observed that the output voltage levels, input current wave shapes, harmonic contents through the harmonic spectrum, and total harmonic distortion improved due to the use of such filters.

Keywords: input current wave, three-phase rectifier, passive filter, PSPICE Simulation

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Authors: Noriko Hanakawa, Masaki Obana

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A simulation tool is proposed for big-scale projection mapping events. The tool has four main functions based on Mapbox and Unity utilities. The first function is building three-dimensional models of real cities using Mapbox. The second function is movie projections to some buildings in real cities using Unity. The third is a movie sending function from a PC to a virtual projector. The fourth function is mapping movies with fitting buildings. The simulation tool was adapted to a real projection mapping event held in 2019. The event completed, but it faced a severe problem in the movie projection to the target building. Extra tents were set in front of the target building, and the tents became obstacles to the movie projection. The simulation tool developed herein could reconstruct the problems of the event. Therefore, if the simulation tool was developed before the 2019 projection mapping event, the problem of the tents being obstacles could have been avoided using the tool. Moreover, we confirmed that the simulation tool is useful for planning future projection mapping events to avoid various extra equipment obstacles, such as utility poles, planting trees, and monument towers.

Keywords: avoiding obstacles, projection mapping, projector position, real 3D map

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Authors: Mahmud Hesain ALdwaik, Omar Hsiain Eldwaik

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This paper deals with tracking and estimating time delay between two signals. The simulation of this algorithm accomplished by using Mathcad package is carried out. The algorithm we will present adaptively controls and tracking the delay, so as to minimize the mean square of this error. Thus the algorithm in this case has task not only of seeking the minimum point of error but also of tracking the change of position, leading to a significant improving of performance. The flowchart of the algorithm is presented as well as several tests of different cases are carried out.

Keywords: Tracking time delay, Algorithm simulation, Mathcad, MSE

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Authors: Jing Zhao, Yoshiharu Ishikawa, Chuan Xiao, Kento Sugiura

Abstract:

In order to analyze large-scale scientific data, research on data exploration and visualization has gained popularity. In this paper, we focus on the exploration and visualization of scientific simulation data, and define a spatial V-Optimal histogram for data summarization. We propose histogram construction algorithms based on a general binary hierarchical partitioning as well as a more specific one, the l-grid partitioning. For effective data summarization and efficient data visualization in scientific data analysis, we propose an optimal algorithm as well as a heuristic algorithm for histogram construction. To verify the effectiveness and efficiency of the proposed methods, we conduct experiments on the massive evacuation simulation data.

Keywords: Simulation data, data summarization, spatial histograms, exploration and visualization.

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Authors: Pongpisit Huyakorn, Chaweewan Denpaiboon, Hidehiko Kanegae

Abstract:

The main aim of this research is to develop a methodology to encourage people's awareness, knowledge and understanding on the participation of flood management for cultural heritage, as the cooperation and interaction among government section, private section, and public section through role-play gaming simulation theory. The format of this research is to develop Role-play gaming simulation from existing documents, game or role-playing from several sources and existing data of the research site. We found that role-play gaming simulation can be implemented to help improving the understanding of the existing problem and the impact of the flood on cultural heritage, and the role-play game can be developed into the tool to improve people's knowledge, understanding and awareness about people's participation for flood management on cultural heritage, moreover the cooperation among the government, private section and public section will be improved through the theory of role-play gaming simulation.

Keywords: Climate change, Role-play gaming simulation, Sustainable development, Public participation, Cultural heritage

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Authors: Riza Muhida, Maisarah Ali, Puteri Shireen Jahn Kassim, Muhammad Abu Eusuf, Agus G.E. Sutjipto, Afzeri

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Over recent years, the number of building integrated photovoltaic (BIPV) installations for home systems have been increasing in Malaysia. The paper concerns an analysis - as part of current Research and Development (R&D) efforts - to integrate photovoltaics as an architectural feature of a detached house in the new satellite township of Putrajaya, Malaysia. The analysis was undertaken using calculation and simulation tools to optimize performance of BIPV home system. In this study, a the simulation analysis was undertaken for selected bungalow units based on a long term recorded weather data for city of Kuala Lumpur. The simulation and calculation was done with consideration of a PV panels' tilt and direction, shading effect and economical considerations. A simulation of the performance of a grid connected BIPV house in Kuala Lumpur was undertaken. This case study uses a 60 PV modules with power output of 2.7 kW giving an average of PV electricity output is 255 kWh/month..

Keywords: Building integrated photovoltaic, Malaysia, Simulation, panels' tilt and direction.

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Authors: Bhaba Priyo Das, Neville Watson, Yonghe Liu

Abstract:

In recent years Operational Transconductance Amplifier based high frequency integrated circuits, filters and systems have been widely investigated. The usefulness of OTAs over conventional OP-Amps in the design of both first order and second order active filters are well documented. This paper discusses some of the tunability issues using the Matlab/Simulink® software which are previously unreported for any commercial OTA. Using the simulation results two first order voltage controlled all pass filters with phase tuning capability are proposed.

Keywords: All pass filter, Operational Transconductance Amplifier, Simulation.

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Authors: Ahmad Anzaar, Husain Shahnawaz, Chand Mukesh, S. C. Gupta, R. Gowri, H. L. Mandoria

Abstract:

Due to insufficient frequency band and tremendous growth of the mobile users, complex computation is needed for the use of resources. Long distance communication began with the introduction of telegraphs and simple coded pulses, which were used to transmit short messages. Since then numerous advances have rendered reliable transfer of information both easier and quicker. Wireless network refers to any type of computer network that is wireless, and is commonly associated with a telecommunications network whose interconnections between nodes is implemented without the use of wires. Wireless network can be broadly categorized in infrastructure network and infrastructure less network. Infrastructure network is one in which we have a base station to serve the mobile users and in the infrastructure less network is one in which no infrastructure is available to serve the mobile users this kind of networks are also known as mobile Adhoc networks. In this paper we have simulated the result for different scenarios with protocols like AODV and DSR; we simulated the result for throughput, delay and receiving traffic in the given scenario.

Keywords: Adhoc network, AODV, DSR. mobility.

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Authors: Gururaj S Punekar, N K Kishore Senior, H S Y Shastry

Abstract:

Charge Simulation Method (CSM) is one of the very widely used numerical field computation technique in High Voltage (HV) engineering. The high voltage fields of varying non uniformities are encountered in practice. CSM programs being case specific, the simulation accuracies heavily depend on the user (programmers) experience. Here is an effort to understand CSM errors and evolve some guidelines to setup accurate CSM models, relating non uniformities with assignment factors. The results are for the six-point-charge model of sphere-plane gap geometry. Using genetic algorithm (GA) as tool, optimum assignment factors at different non uniformity factors for this model have been evaluated and analyzed. It is shown that the symmetrically placed six-point-charge models can be good enough to set up CSM programs with potential errors less than 0.1% when the field non uniformity factor is greater than 2.64 (field utilization factor less than 52.76%).

Keywords: Assignment factor, Charge Simulation Method, High Voltage, Numerical field computation, Non uniformity factor, Simulation errors.

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

Abstract:

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

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

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