Search results for: uncertainty simulation
4630 Forecasting Market Share of Electric Vehicles in Taiwan Using Conjoint Models and Monte Carlo Simulation
Authors: Li-hsing Shih, Wei-Jen Hsu
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Recently, the sale of electrical vehicles (EVs) has increased dramatically due to maturing technology development and decreasing cost. Governments of many countries have made regulations and policies in favor of EVs due to their long-term commitment to net zero carbon emissions. However, due to uncertain factors such as the future price of EVs, forecasting the future market share of EVs is a challenging subject for both the auto industry and local government. This study tries to forecast the market share of EVs using conjoint models and Monte Carlo simulation. The research is conducted in three phases. (1) A conjoint model is established to represent the customer preference structure on purchasing vehicles while five product attributes of both EV and internal combustion engine vehicles (ICEV) are selected. A questionnaire survey is conducted to collect responses from Taiwanese consumers and estimate the part-worth utility functions of all respondents. The resulting part-worth utility functions can be used to estimate the market share, assuming each respondent will purchase the product with the highest total utility. For example, attribute values of an ICEV and a competing EV are given respectively, two total utilities of the two vehicles of a respondent are calculated and then knowing his/her choice. Once the choices of all respondents are known, an estimate of market share can be obtained. (2) Among the attributes, future price is the key attribute that dominates consumers’ choice. This study adopts the assumption of a learning curve to predict the future price of EVs. Based on the learning curve method and past price data of EVs, a regression model is established and the probability distribution function of the price of EVs in 2030 is obtained. (3) Since the future price is a random variable from the results of phase 2, a Monte Carlo simulation is then conducted to simulate the choices of all respondents by using their part-worth utility functions. For instance, using one thousand generated future prices of an EV together with other forecasted attribute values of the EV and an ICEV, one thousand market shares can be obtained with a Monte Carlo simulation. The resulting probability distribution of the market share of EVs provides more information than a fixed number forecast, reflecting the uncertain nature of the future development of EVs. The research results can help the auto industry and local government make more appropriate decisions and future action plans.Keywords: conjoint model, electrical vehicle, learning curve, Monte Carlo simulation
Procedia PDF Downloads 694629 The Physics of Turbulence Generation in a Fluid: Numerical Investigation Using a 1D Damped-MNLS Equation
Authors: Praveen Kumar, R. Uma, R. P. Sharma
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This study investigates the generation of turbulence in a deep-fluid environment using a damped 1D-modified nonlinear Schrödinger equation model. The well-known damped modified nonlinear Schrödinger equation (d-MNLS) is solved using numerical methods. Artificial damping is added to the MNLS equation, and turbulence generation is investigated through a numerical simulation. The numerical simulation employs a finite difference method for temporal evolution and a pseudo-spectral approach to characterize spatial patterns. The results reveal a recurring periodic pattern in both space and time when the nonlinear Schrödinger equation is considered. Additionally, the study shows that the modified nonlinear Schrödinger equation disrupts the localization of structure and the recurrence of the Fermi-Pasta-Ulam (FPU) phenomenon. The energy spectrum exhibits a power-law behavior, closely following Kolmogorov's spectra steeper than k⁻⁵/³ in the inertial sub-range.Keywords: water waves, modulation instability, hydrodynamics, nonlinear Schrödinger's equation
Procedia PDF Downloads 724628 The MCNP Simulation of Prompt Gamma-Ray Neutron Activation Analysis at TRR-1/M1
Authors: S. Sangaroon, W. Ratanatongchai, S. Khaweerat, R. Picha, J. Channuie
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The prompt gamma-ray neutron activation analysis system (PGNAA) has been constructed and installed at a 6 inch diameter neutron beam port of the Thai Research Reactor-1/ Modification 1 (TRR-1/M1) since 1989. It was designed for the reactor operating power at 1.2 MW. The purpose of the system is for an elemental and isotopic analytical. In 2016, the PGNAA facility will be developed to reduce the leakage and background of neutrons and gamma radiation at the sample and detector position. In this work, the designed condition of these facilities is carried out based on the Monte Carlo method using MCNP5 computer code. The conditions with different modification materials, thicknesses and structure of the PGNAA facility, including gamma collimator and radiation shields of the detector, are simulated, and then the optimal structure parameters with a significantly improved performance of the facility are obtained.Keywords: MCNP simulation, PGNAA, Thai research reactor (TRR-1/M1), radiation shielding
Procedia PDF Downloads 3834627 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
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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
Procedia PDF Downloads 4604626 Modelling Medieval Vaults: Digital Simulation of the North Transept Vault of St Mary, Nantwich, England
Authors: N. Webb, A. Buchanan
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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
Procedia PDF Downloads 3444625 Credit Risk Evaluation of Dairy Farming Using Fuzzy Logic
Authors: R. H. Fattepur, Sameer R. Fattepur, D. K. Sreekantha
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Dairy Farming is one of the key industries in India. India is the leading producer and also the consumer of milk, milk-based products in the world. In this paper, we have attempted to the replace the human expert system and to develop an artificial expert system prototype to increase the speed and accuracy of decision making dairy farming credit risk evaluation. Fuzzy logic is used for dealing with uncertainty, vague and acquired knowledge, fuzzy rule base method is used for representing this knowledge for building an effective expert system.Keywords: expert system, fuzzy logic, knowledge base, dairy farming, credit risk
Procedia PDF Downloads 3614624 Accurate Calculation of the Penetration Depth of a Bullet Using ANSYS
Authors: Eunsu Jang, Kang Park
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In developing an armored ground combat vehicle (AGCV), it is a very important step to analyze the vulnerability (or the survivability) of the AGCV against enemy’s attack. In the vulnerability analysis, the penetration equations are usually used to get the penetration depth and check whether a bullet can penetrate the armor of the AGCV, which causes the damage of internal components or crews. The penetration equations are derived from penetration experiments which require long time and great efforts. However, they usually hold only for the specific material of the target and the specific type of the bullet used in experiments. Thus, penetration simulation using ANSYS can be another option to calculate penetration depth. However, it is very important to model the targets and select the input parameters in order to get an accurate penetration depth. This paper performed a sensitivity analysis of input parameters of ANSYS on the accuracy of the calculated penetration depth. Two conflicting objectives need to be achieved in adopting ANSYS in penetration analysis: maximizing the accuracy of calculation and minimizing the calculation time. To maximize the calculation accuracy, the sensitivity analysis of the input parameters for ANSYS was performed and calculated the RMS error with the experimental data. The input parameters include mesh size, boundary condition, material properties, target diameter are tested and selected to minimize the error between the calculated result from simulation and the experiment data from the papers on the penetration equation. To minimize the calculation time, the parameter values obtained from accuracy analysis are adjusted to get optimized overall performance. As result of analysis, the followings were found: 1) As the mesh size gradually decreases from 0.9 mm to 0.5 mm, both the penetration depth and calculation time increase. 2) As diameters of the target decrease from 250mm to 60 mm, both the penetration depth and calculation time decrease. 3) As the yield stress which is one of the material property of the target decreases, the penetration depth increases. 4) The boundary condition with the fixed side surface of the target gives more penetration depth than that with the fixed side and rear surfaces. By using above finding, the input parameters can be tuned to minimize the error between simulation and experiments. By using simulation tool, ANSYS, with delicately tuned input parameters, penetration analysis can be done on computer without actual experiments. The data of penetration experiments are usually hard to get because of security reasons and only published papers provide them in the limited target material. The next step of this research is to generalize this approach to anticipate the penetration depth by interpolating the known penetration experiments. This result may not be accurate enough to be used to replace the penetration experiments, but those simulations can be used in the early stage of the design process of AGCV in modelling and simulation stage.Keywords: ANSYS, input parameters, penetration depth, sensitivity analysis
Procedia PDF Downloads 4014623 Saturation Misbehavior and Field Activation of the Mobility in Polymer-Based OTFTs
Authors: L. Giraudet, O. Simonetti, G. de Tournadre, N. Dumelié, B. Clarenc, F. Reisdorffer
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In this paper we intend to give a comprehensive view of the saturation misbehavior of thin film transistors (TFTs) based on disordered semiconductors, such as most organic TFTs, and its link to the field activation of the mobility. Experimental evidence of the field activation of the mobility is given for disordered semiconductor based TFTs, when reducing the gate length. Saturation misbehavior is observed simultaneously. Advanced transport models have been implemented in a quasi-2D numerical TFT simulation software. From the numerical simulations it is clearly established that field activation of the mobility alone cannot explain the saturation misbehavior. Evidence is given that high longitudinal field gradient at the drain end of the channel is responsible for an excess charge accumulation, preventing saturation. The two combined effects allow reproducing the experimental output characteristics of short channel TFTs, with S-shaped characteristics and saturation failure.Keywords: mobility field activation, numerical simulation, OTFT, saturation failure
Procedia PDF Downloads 5204622 Structural Strength Evaluation and Wear Prediction of Double Helix Steel Wire Ropes for Heavy Machinery
Authors: Krunal Thakar
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Wire ropes combine high tensile strength and flexibility as compared to other general steel products. They are used in various application areas such as cranes, mining, elevators, bridges, cable cars, etc. The earliest reported use of wire ropes was for mining hoist application in 1830s. Over the period, there have been substantial advancement in the design of wire ropes for various application areas. Under operational conditions, wire ropes are subjected to varying tensile loads and bending loads resulting in material wear and eventual structural failure due to fretting fatigue. The conventional inspection methods to determine wire failure is only limited to outer wires of rope. However, till date, there is no effective mathematical model to examine the inter wire contact forces and wear characteristics. The scope of this paper is to present a computational simulation technique to evaluate inter wire contact forces and wear, which are in many cases responsible for rope failure. Two different type of ropes, IWRC-6xFi(29) and U3xSeS(48) were taken for structural strength evaluation and wear prediction. Both ropes have a double helix twisted wire profile as per JIS standards and are mainly used in cranes. CAD models of both ropes were developed in general purpose design software using in house developed formulation to generate double helix profile. Numerical simulation was done under two different load cases (a) Axial Tension and (b) Bending over Sheave. Different parameters such as stresses, contact forces, wear depth, load-elongation, etc., were investigated and compared between both ropes. Numerical simulation method facilitates the detailed investigation of inter wire contact and wear characteristics. In addition, various selection parameters like sheave diameter, rope diameter, helix angle, swaging, maximum load carrying capacity, etc., can be quickly analyzed.Keywords: steel wire ropes, numerical simulation, material wear, structural strength, axial tension, bending over sheave
Procedia PDF Downloads 1524621 Stator Short-Circuits Fault Diagnosis in Induction Motors
Authors: K. Yahia, M. Sahraoui, A. Guettaf
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This paper deals with the problem of stator faults diagnosis in induction motors. Using the discrete wavelet transform (DWT) for the current Park’s vector modulus (CPVM) analysis, the inter-turn short-circuit faults diagnosis can be achieved. This method is based on the decomposition of the CPVM signal, where wavelet approximation and detail coefficients of this signal have been extracted. The energy evaluation of a known bandwidth detail permits to define a fault severity factor (FSF). This method has been tested through the simulation of an induction motor using a mathematical model based on the winding-function approach. Simulation, as well as experimental results, show the effectiveness of the used method.Keywords: induction motors (IMs), inter-turn short-circuits diagnosis, discrete wavelet transform (DWT), Current Park’s Vector Modulus (CPVM)
Procedia PDF Downloads 4574620 Effect of Fuel Injection Discharge Curve and Injection Pressure on Upgrading Power and Combustion Parameters in HD Diesel Engine with CFD Simulation
Authors: Saeed Chamehsara, Seyed Mostafa Mirsalim, Mehdi Tajdari
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In this study, the effect of fuel injection discharge curve and injection pressure simultaneously for upgrading power of heavy duty diesel engine by simulation of combustion process in AVL-Fire software are discussed. Hence, the fuel injection discharge curve was changed from semi-triangular to rectangular which is usual in common rail fuel injection system. Injection pressure with respect to amount of injected fuel and nozzle hole diameter are changed. Injection pressure is calculated by an experimental equation which is for heavy duty diesel engines with common rail fuel injection system. Upgrading power for 1000 and 2000 bar injection pressure are discussed. For 1000 bar injection pressure with 188 mg injected fuel and 3 mm nozzle hole diameter in compare with first state which is semi-triangular discharge curve with 139 mg injected fuel and 3 mm nozzle hole diameter, upgrading power is about 19% whereas the special change has not been observed in cylinder pressure. On the other hand, both the NOX emission and the Soot emission decreased about 30% and 6% respectively. Compared with first state, for 2000 bar injection pressure that injected fuel and nozzle diameter are 196 mg and 2.6 mm respectively, upgrading power is about 22% whereas cylinder pressure has been fixed and NOX emission and the Soot emissions are decreased 36% and 20%, respectively.Keywords: CFD simulation, HD diesel engine, upgrading power, injection pressure, fuel injection discharge curve, combustion process
Procedia PDF Downloads 5234619 Particle Dust Layer Density and the Optical Wavelength Absorption Relationship in Photovoltaic Module
Authors: M. Mesrouk, A. Hadj Arab
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This work allows highlight the effect of dust on the absorption of the optical spectrum on the photovoltaic module, the effect of the particles dust presence on the photovoltaic modules have been a microscopic scale studied with COMSOL Multi-physic software simulation. In this paper, we have supposed the dust layer as a diffraction network repetitive optical structure characterized by the spacing between particle which represented by 'd' and the simulated structure (air-dust particle-glass). In this study we can observe the relationship between the wavelength and the particle spacing, the simulation shows us that the maximum wavelength transmission value corresponding, λ0 = 400nm, which represent the spacing value between the particles dust, d = 400 nm. In fact, we can observe that while increase dust layer density the wavelength transmission value decrease, there is a relationship between the density and wavelength value which can be absorbed in a dusty photovoltaic panel.Keywords: dust effect, photovoltaic module, spectral absorption, wavelength transmission
Procedia PDF Downloads 4634618 Study of Water Cluster-Amorphous Silica Collisions in the Extreme Space Environment Using the ReaxFF Reactive Force Field Molecular Dynamics Simulation Method
Authors: Ali Rahnamoun, Adri van Duin
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The concept of high velocity particle impact on the spacecraft surface materials has been one of the important issues in the design of such materials. Among these particles, water clusters might be the most abundant and the most important particles to be studied. The importance of water clusters is that upon impact on the surface of the materials, they can cause damage to the material and also if they are sub-cooled water clusters, they can attach to the surface of the materials and cause ice accumulation on the surface which is very problematic in spacecraft and also aircraft operations. The dynamics of the collisions between amorphous silica structures and water clusters with impact velocities of 1 km/s to 10 km/s are studied using the ReaxFF reactive molecular dynamics simulation method. The initial water clusters include 150 water molecules and the water clusters are collided on the surface of amorphous fully oxidized and suboxide silica structures. These simulations show that the most abundant molecules observed on the silica surfaces, other than reflecting water molecules, are H3O+ and OH- for the water cluster impacts on suboxide and fully oxidized silica structures, respectively. The effect of impact velocity on the change of silica mass is studied. At high impact velocities the water molecules attach to the silica surface through a chemisorption process meaning that water molecule dissociates through the interaction with silica surface. However, at low impact velocities, physisorbed water molecules are also observed, which means water molecule attaches and accumulates on the silica surface. The amount of physisorbed waters molecules at low velocities is higher on the suboxide silica surfaces. The evolution of the temperatures of the water clusters during the collisions indicates that the possibility of electron excitement at impact velocities less than 10 km/s is minimal and ReaxFF reactive molecular dynamics simulation can predict the chemistry of these hypervelocity impacts. However, at impact velocities close to 10 km/s the average temperature of the impacting water clusters increase to about 2000K, with individual molecules oocasionally reaching temperatures of over 8000K and thus will be prudent to consider the concept of electron excitation at these higher impact velocities which goes beyond the current ReaxFF ability.Keywords: spacecraft materials, hypervelocity impact, reactive molecular dynamics simulation, amorphous silica
Procedia PDF Downloads 4184617 Simulation of Complex-Shaped Particle Breakage with a Bonded Particle Model Using the Discrete Element Method
Authors: Felix Platzer, Eric Fimbinger
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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, DEM, filter cake, particle breakage
Procedia PDF Downloads 2104616 A Study on How to Improve PMBOK (Project Management Body of Knowledge) Guidelines Performance by Simulation
Authors: Fatemeh Jaferi, Moslem Parsa, Seyed Mehdi Sajadi
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The project-oriented organizations are more appropriate for sustainable environments. Any effective project-oriented organization should institutionalize its project management processes in such a manner to yield the greatest possible profits. The aim of this paper is to study the relationship between the project management PMBOK guideline (Project Management Body of Knowledge) and simulation technology in project-oriented organizations. The methodology involves using five steps for applying these two tools aimed at enhancing project management processes in the Lorestan Gas Corporation, as one of the project-oriented organization. Results show the implementation of such management approach leads to a 5% performance improvement and using PMBOK can be instrumental in effective delay management. The implementation of the aforementioned improvement package was effective in improving the efficiency of organizational processes; in terms of optimizing the resource utilization that has manifested itself in resource losses and cost reductions.Keywords: project-orientation, processes, PMBOK, optimization, organization, management
Procedia PDF Downloads 4044615 Molecular Simulation of NO, NH3 Adsorption in MFI and H-ZSM5
Authors: Z. Jamalzadeh, A. Niaei, H. Erfannia, S. G. Hosseini, A. S. Razmgir
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Due to developing the industries, the emission of pollutants such as NOx, SOx, and CO2 are rapidly increased. Generally, NOx is attributed to the mono nitrogen oxides of NO and NO2 that is one of the most important atmospheric contaminants. Hence, controlling the emission of nitrogen oxides is urgent environmentally. Selective Catalytic Reduction of NOx is one of the most common techniques for NOx removal in which Zeolites have wide application due to their high performance. In zeolitic processes, the catalytic reaction occurs mostly in the pores. Therefore, investigation the adsorption phenomena of the molecules in order to gain an insight and understand the catalytic cycle is of important. Hence, in current study, molecular simulations is applied for studying the adsorption phenomena in nanocatalysts applied for SCR of NOx process. The effect of cation addition to the support in the catalysts’ behavior through adsorption step was explored by Mont Carlo (MC). Simulation time of 1 Ns accompanying 1 fs time step, COMPASS27 Force Field and the cut off radios of 12.5 Ȧ was applied for performed runs. It was observed that the adsorption capacity increases in the presence of cations. The sorption isotherms demonstrated the behavior of type I isotherm categories and sorption capacity diminished with increase in temperature whereas an increase was observed at high pressures. Besides, NO sorption showed higher sorption capacity than NH3 in H–ZSM5. In this respect, the Energy distributions signified that the molecules could adsorb in just one sorption site at the catalyst and the sorption energy of NO was stronger than the NH3 in H-ZSM5. Furthermore, the isosteric heat of sorption data showed nearly same values for the molecules; however, it indicated stronger interactions of NO molecules with H-ZSM5 Zeolite compared to the isosteric heat of NH3 which was low in value.Keywords: Monte Carlo simulation, adsorption, NOx, ZSM5
Procedia PDF Downloads 3784614 Simulation of Wave Propagation in Multiphase Medium
Authors: Edip Kemal, Sheshov Vlatko, Bojadjieva Julijana, Bogdanovic ALeksandra, Gjorgjeska Irena
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The wave propagation phenomenon in porous domains is of great importance in the field of geotechnical earthquake engineering. In these kinds of problems, the elastic waves propagate from the interior to the exterior domain and require special treatment at the computational level since apart from displacement in the solid-state there is a p-wave that takes place in the pore water phase. In this paper, a study on the implementation of multiphase finite elements is presented. The proposed algorithm is implemented in the ANSYS finite element software and tested on one-dimensional wave propagation considering both pore pressure wave propagation and displacement fields. In the simulation of porous media such as soils, the behavior is governed largely by the interaction of the solid skeleton with water and/or air in the pores. Therefore, coupled problems of fluid flow and deformation of the solid skeleton are considered in a detailed way.Keywords: wave propagation, multiphase model, numerical methods, finite element method
Procedia PDF Downloads 1644613 Hybrid Dynamic Approach to Optimize the Impact of Shading Design and Control on Electrical Energy Demand
Authors: T. Parhizkar, H. Jafarian, F. Aramoun, Y. Saboohi
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Applying motorized shades have substantial effect on reducing energy consumption in building sector. Moreover, the combination of motorized shades with lighting systems and PV panels can lead to considerable reduction in the energy demand of buildings. In this paper, a model is developed to assess and find an optimum combination from shade designs, lighting control systems (dimming and on/off) and implementing PV panels in shades point of view. It is worth mentioning that annual saving for all designs is obtained during hourly simulation of lighting, solar heat flux and electricity generation with the use of PV panel. From 12 designs in general, three designs, two lighting control systems and PV panel option is implemented for a case study. The results illustrate that the optimum combination causes a saving potential of 792kW.hr per year.Keywords: motorized shades, daylight, cooling load, shade control, hourly simulation
Procedia PDF Downloads 1714612 Preventing Neurodegenerative Diseases by Stabilization of Superoxide Dismutase by Natural Polyphenolic Compounds
Authors: Danish Idrees, Vijay Kumar, Samudrala Gourinath
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Amyotrophic lateral sclerosis (ALS) is a neurodegenerative disease caused by misfolding and aggregation of Cu, Zn superoxide dismutase (SOD1). The use of small molecules has been shown to stabilize the SOD1 dimer and preventing its dissociation and aggregation. In this study, we employed molecular docking, molecular dynamics simulation and surface plasmon resonance (SPR) to study the interactions between SOD1 and natural polyphenolic compounds. In order to explore the noncovalent interaction between SOD1 and natural polyphenolic compounds, molecular docking and molecular dynamic (MD) simulations were employed to gain insights into the binding modes and free energies of SOD1-polyphenolic compounds. MM/PBSA methods were used to calculate free energies from obtained MD trajectories. The compounds, Hesperidin, Ergosterol, and Rutin showed the excellent binding affinity in micromolar range with SOD1. Ergosterol and Hesperidin have the strongest binding affinity to SOD1 and was subjected to further characterization. Biophysical experiments using Circular Dichroism and Thioflavin T fluorescence spectroscopy results show that the binding of these two compounds can stabilize SOD1 dimer and inhibit the aggregation of SOD1. Molecular simulation results also suggest that these compounds reduce the dissociation of SOD1 dimers through direct interaction with the dimer interface. This study will be helpful to develop other drug-like molecules which may have the effect to reduce the aggregation of SOD1.Keywords: amyotrophic lateral sclerosis, molecular dynamics simulation, surface plasmon resonance, superoxide dismutase
Procedia PDF Downloads 1384611 Multiscale Cohesive Zone Modeling of Composite Microstructure
Authors: Vincent Iacobellis, Kamran Behdinan
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A finite element cohesive zone model is used to predict the temperature dependent material properties of a polyimide matrix composite with unidirectional carbon fiber arrangement. The cohesive zone parameters have been obtained from previous research involving an atomistic-to-continuum multiscale simulation of the fiber-matrix interface using the bridging cell multiscale method. The goal of the research was to both investigate the effect of temperature change on the composite behavior with respect to transverse loading as well as the validate the use of cohesive parameters obtained from atomistic-to-continuum multiscale modeling to predict fiber-matrix interfacial cracking. From the multiscale model cohesive zone parameters (i.e. maximum traction and energy of separation) were obtained by modeling the interface between the coarse-grained polyimide matrix and graphite based carbon fiber. The cohesive parameters from this simulation were used in a cohesive zone model of the composite microstructure in order to predict the properties of the macroscale composite with respect to changes in temperature ranging from 21 ˚C to 316 ˚C. Good agreement was found between the microscale RUC model and experimental results for stress-strain response, stiffness, and material strength at low and high temperatures. Examination of the deformation of the composite through localized crack initiation at the fiber-matrix interface also agreed with experimental observations of similar phenomena. Overall, the cohesive zone model was shown to be both effective at modeling the composite properties with respect to transverse loading as well as validated the use of cohesive zone parameters obtained from the multiscale simulation.Keywords: cohesive zone model, fiber-matrix interface, microscale damage, multiscale modeling
Procedia PDF Downloads 4874610 Chaotic Electronic System with Lambda Diode
Authors: George Mahalu
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The Chua diode has been configured over time in various ways, using electronic structures like operational amplifiers (AOs) or devices with gas or semiconductors. When discussing the use of semiconductor devices, tunnel diodes (Esaki diodes) are most often considered, and more recently, transistorized configurations such as lambda diodes. The paperwork proposed here uses in the modeling a lambda diode type configuration consisting of two junction field effect transistors (JFET). The original scheme is created in the MULTISIM electronic simulation environment and is analyzed in order to identify the conditions for the appearance of evolutionary unpredictability specific to nonlinear dynamic systems with chaos-induced behavior. The chaotic deterministic oscillator is one autonomous type, a fact that places it in the class of Chua’s type oscillators, the only significant and most important difference being the presence of a nonlinear device like the one mentioned structure above. The chaotic behavior is identified both by means of strange attractor-type trajectories and visible during the simulation and by highlighting the hypersensitivity of the system to small variations of one of the input parameters. The results obtained through simulation and the conclusions drawn are useful in the further research of ways to implement such constructive electronic solutions in theoretical and practical applications related to modern small signal amplification structures, to systems for encoding and decoding messages through various modern ways of communication, as well as new structures that can be imagined both in modern neural networks and in those for the physical implementation of some requirements imposed by current research with the aim of obtaining practically usable solutions in quantum computing and quantum computers.Keywords: chua, diode, memristor, chaos
Procedia PDF Downloads 884609 Molecular Dynamics Study of Ferrocene in Low and Room Temperatures
Authors: Feng Wang, Vladislav Vasilyev
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Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene
Procedia PDF Downloads 2184608 Improvement and Miniaturization RFID Patch Antenna by Inclusion the Complementary Metamaterials
Authors: Seif Naoui, Lassaad Latrach, Ali Gharsallah
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This paper is specialized to highlight the method of miniaturization and improvement the patch antenna by using the complementary metamaterial. This method is presented by a simple technique is composed a structure of patch antenna integrated in its surface a cell of complementary split ring resonator. This resonator is placed at the middle of the radiating patch in parallel with the transmission line and with a variable angle of orientation. The objective is to find the ultimate angle where the best results are obtained on improving the characteristics of the considered antenna. This motif widespread at the traceability applications by wireless communication for RFID technology at the operation frequency 2.45 GHz. Our contribution is based on studies empirical often presented in this article. All simulation results were made by the CST Microwave Studio.Keywords: complimentary split ring resonators, computer simulation technology microwave studio, metamaterials patch antennas, microstrip patch antenna, radio frequency identification
Procedia PDF Downloads 4404607 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
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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
Procedia PDF Downloads 3184606 Health Risk Assessment of Exposing to Benzene in Office Building around a Chemical Industry Based on Numerical Simulation
Authors: Majid Bayatian, Mohammadreza Ashouri
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Releasing hazardous chemicals is one of the major problems for office buildings in the chemical industry and, therefore, environmental risks are inherent to these environments. The adverse health effects of the airborne concentration of benzene have been a matter of significant concern, especially in oil refineries. The chronic and acute adverse health effects caused by benzene exposure have attracted wide attention. Acute exposure to benzene through inhalation could cause headaches, dizziness, drowsiness, and irritation of the skin. Chronic exposures have reported causing aplastic anemia and leukemia at the occupational settings. Association between chronic occupational exposure to benzene and the development of aplastic anemia and leukemia were documented by several epidemiological studies. Numerous research works have investigated benzene emissions and determined benzene concentration at different locations of the refinery plant and stated considerable health risks. The high cost of industrial control measures requires justification through lifetime health risk assessment of exposed workers and the public. In the present study, a Computational Fluid Dynamics (CFD) model has been proposed to assess the exposure risk of office building around a refinery due to its release of benzene. For simulation, GAMBIT, FLUENT, and CFD Post software were used as pre-processor, processor, and post-processor, and the model was validated based on comparison with experimental results of benzene concentration and wind speed. Model validation results showed that the model is highly validated, and this model can be used for health risk assessment. The simulation and risk assessment results showed that benzene could be dispersion to an office building nearby, and the exposure risk has been unacceptable. According to the results of this study, a validated CFD model, could be very useful for decision-makers for control measures and possibly support them for emergency planning of probable accidents. Also, this model can be used to assess exposure to various types of accidents as well as other pollutants such as toluene, xylene, and ethylbenzene in different atmospheric conditions.Keywords: health risk assessment, office building, Benzene, numerical simulation, CFD
Procedia PDF Downloads 1304605 Brexit and Financial Stability: An Agent-Based Simulation
Authors: Aristeidis Samitas, Stathis Polyzos
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As the UK and the EU prepare to start negotiations for Brexit, it is important for both sides to comprehend the full extent of the consequences of this process. In this paper, we employ an object oriented simulation framework in order to test for the short-term and long-term effects of Brexit on both sides of the Channel. The relative strength of the UK economy and the banking sector vis-à-vis the EU is taken under consideration. Our results confirm predictions in the relevant literature regarding the output cost of Brexit, with particular emphasis on the EU. Furthermore, we show that financial stability is also an important issue on both sides, with the banking system suffering significant losses, particularly over the longer term. Our findings suggest that policymakers should be extremely careful in handling Brexit negotiations, making sure to consider dynamic effects that may be caused by UK bank assets moving to the EU after Brexit. The model results show that, as the UK banking system loses its assets, the end state of the UK economy is deteriorated while the end state of EU economy is improved.Keywords: Banking Crises, Brexit, Financial Stability, VBanking
Procedia PDF Downloads 2804604 The Feasibility of Ratification of the United Nation Convention on Contracts for International Sale of Goods by Islamic Countries, Saudi Arabia as a Case
Authors: Ibrahim M. Alwehaibi
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Recently the windows of globalization weirdly open, which increase the trade between the Western countries and Muslim nations. Sales of goods contracts are one of the most common business transaction in the world. This commercial exchange has faced many obstacles. One of the most concerned obstacles is the conflicts between laws. Thus, United Nation created a Convention on Contracts for the International Sale of Goods (CISG). Some of Islamic countries have ratified the CISG, while other Islamic countries have concerns about the feasibility of ratification of the CISG, and many businessmen have a concern of application of the convention. The concerns related to the conflict between CISG and Sharia, and the long debate about the success, ambiguity, and stability of the CISG. Therefore, this research will examine the feasibility of Muslim countries and Muslim businessmen to adopt the CISG by following steps: First, this research will introduce sharia Law (Islamic contracts law) and CISG and provide backgrounds of both laws. Second, this research will compare the provisions of CISG and Sharia and figuring out the conflicts and provide possible solutions for the conflicts. Third, this study will examine the advantages and disadvantages of adopting the CISG and examining the success of the CISG. Fourth, this study will explore the current situation in Islamic countries by taking Saudi Arabia as a case and explore how the application of Sharia law works and the possibility to enforce the CISG and explore the current practice of foreign Sales in Saudi Arabia. The research finds that there are some conflicts between CISG and Sharia Law. The most notable conflicts are interest and uncertainty in considerations. Also, this research finds that it seems that ratification of CISG is not beneficial for Muslim countries because the convention has not reached its goal which is uniformity of laws. Moreover, the CISG has been excluded and ignored by businessmen and some courts. Additionally, this research finds that it could be possible to enforce CISG in Saudi Arabia, provided that no conflict between the enforced provision and Sharia Law. This study is following the competitive and analysis methodologies to reach its findings. The researcher analyzes the provision of CISG and compares them with Sharia rules and finds the conflicts and compatibilities. In fact, CISG has 101 articles, so a comprehensive comparison of all articles in CISG with Sharia is difficult. Thus, in order to deeply analyze all aspects of this issue, this study will exclude some areas of contract which have been discussed by other researchers such as deliver of goods, conformity, and mirror image rules. The comparative section of this study will focus on the most concerned articles that conflict or doubtful of conflict with Sharia, which are interest, uncertainty, statute of limitation, specific performance, and pass of risk.Keywords: Sharia, CISG, Contracts for International Sale of Goods, contracts, sale of goods, Saudi Arabia
Procedia PDF Downloads 1514603 Study on Filter for Semiconductor of Minimizing Damage by X-Ray Laminography
Authors: Chan Jong Park, Hye Min Park, Jeong Ho Kim, Ki Hyun Park, Koan Sik Joo
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This research used the MCNPX simulation program to evaluate the utility of a filter that was developed to minimize the damage to a semiconductor device during defect testing with X-ray. The X-ray generator was designed using the MCNPX code, and the X-ray absorption spectrum of the semiconductor device was obtained based on the designed X-ray generator code. To evaluate the utility of the filter, the X-ray absorption rates of the semiconductor device were calculated and compared for Ag, Rh, Mo and V filters with thicknesses of 25μm, 50μm, and 75μm. The results showed that the X-ray absorption rate varied with the type and thickness of the filter, ranging from 8.74% to 49.28%. The Rh filter showed the highest X-ray absorption rates of 29.8%, 15.18% and 8.74% for the above-mentioned filter thicknesses. As shown above, the characteristics of the X-ray absorption with respect to the type and thickness of the filter were identified using MCNPX simulation. With these results, both time and expense could be saved in the production of the desired filter. In the future, this filter will be produced, and its performance will be evaluated.Keywords: X-ray, MCNPX, filter, semiconductor, damage
Procedia PDF Downloads 4234602 The Establishment of RELAP5/SNAP Model for Kuosheng Nuclear Power Plant
Authors: C. Shih, J. R. Wang, H. C. Chang, S. W. Chen, S. C. Chiang, T. Y. Yu
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After the measurement uncertainty recapture (MUR) power uprates, Kuosheng nuclear power plant (NPP) was uprated the power from 2894 MWt to 2943 MWt. For power upgrade, several codes (e.g., TRACE, RELAP5, etc.) were applied to assess the safety of Kuosheng NPP. Hence, the main work of this research is to establish a RELAP5/MOD3.3 model of Kuosheng NPP with SNAP interface. The establishment of RELAP5/SNAP model was referred to the FSAR, training documents, and TRACE model which has been developed and verified before. After completing the model establishment, the startup test scenarios would be applied to the RELAP5/SNAP model. With comparing the startup test data and TRACE analysis results, the applicability of RELAP5/SNAP model would be assessed.Keywords: RELAP5, TRACE, SNAP, BWR
Procedia PDF Downloads 4294601 Dynamic Building Simulation Based Study to Understand Thermal Behavior of High-Rise Structural Timber Buildings
Authors: Timothy O. Adekunle, Sigridur Bjarnadottir
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Several studies have investigated thermal behavior of buildings with limited studies focusing on high-rise buildings. Of the limited investigations that have considered thermal performance of high-rise buildings, only a few studies have considered thermal behavior of high-rise structural sustainable buildings. As a result, this study investigates the thermal behavior of a high-rise structural timber building. The study aims to understand the thermal environment of a high-rise structural timber block of apartments located in East London, UK by comparing the indoor environmental conditions at different floors (ground and upper floors) of the building. The environmental variables (temperature and relative humidity) were measured at 15-minute intervals for a few weeks in the summer of 2012 to generate data that was considered for calibration and validation of the simulated results. The study employed mainly dynamic thermal building simulation using DesignBuilder by EnergyPlus and supplemented with environmental monitoring as major techniques for data collection and analysis. The weather file (Test Reference Years- TRYs) for the 2000s from the weather generator carried out by the Prometheus Group was considered for the simulation since the study focuses on investigating thermal behavior of high-rise structural timber buildings in the summertime and not in extreme summertime. In this study, the simulated results (May-September of the 2000s) will be the focus of discussion, but the results will be briefly compared with the environmental monitoring results. The simulated results followed a similar trend with the findings obtained from the short period of the environmental monitoring at the building. The results revealed lower temperatures are often predicted (at least 1.1°C lower) at the ground floor than the predicted temperatures at the upper floors. The simulated results also showed that higher temperatures are predicted in spaces at southeast facing (at least 0.5°C higher) than spaces in other orientations across the floors considered. There is, however, a noticeable difference between the thermal environment of spaces when the results obtained from the environmental monitoring are compared with the simulated results. The field survey revealed higher temperatures were recorded in the living areas (at least 1.0°C higher) while higher temperatures are predicted in bedrooms (at least 0.9°C) than living areas for the simulation. In addition, the simulated results showed spaces on lower floors of high-rise structural timber buildings are predicted to provide more comfortable thermal environment than spaces on upper floors in summer, but this may not be the same in wintertime due to high upward movement of hot air to spaces on upper floors.Keywords: building simulation, high-rise, structural timber buildings, sustainable, temperatures, thermal behavior
Procedia PDF Downloads 176