Search results for: quantum mechanics of spin dynamics.
844 Application of Turbulence Modeling in Computational Fluid Dynamics for Airfoil Simulations
Authors: Mohammed Bilal
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The precise prediction of aerodynamic behavior is necessary for the design and optimization of airfoils for a variety of applications. Turbulence, a phenomenon of complex and irregular flow, significantly affects the aerodynamic properties of airfoils. Therefore, turbulence modeling is essential for accurately predicting the behavior of airfoils in simulations. This study investigates five commonly employed turbulence models: Spalart-Allmaras (SA) model, k-epsilon model, k-omega model, Reynolds Stress Model (RSM), and Large Eddy Simulation (LES) model. The paper includes a comparison of the models' precision, computational expense, and applicability to various flow conditions. The strengths and weaknesses of each model are highlighted, allowing researchers and engineers to make informed decisions regarding simulations of specific airfoils. Unquestionably, the continuous development of turbulence modeling will contribute to further improvements in airfoil design and optimization, which will be advantageous to numerous industries.
Keywords: Computational fluid dynamics, airfoil, turbulence, aircraft.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 283843 Case Study of the Roma Tomato Distribution Chain: A Dynamic Interface for an Agricultural Enterprise in Mexico
Authors: Ernesto A. Lagarda-Leyva, Manuel A. Valenzuela L., José G. Oshima C., Arnulfo A. Naranjo-Flores
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From August to December of 2016, a diagnostic and strategic planning study was carried out on the supply chain of the company Agropecuaria GABO S.A. de C.V. The final product of the study was the development of the strategic plan and a project portfolio to meet the demands of the three links in the supply chain of the Roma tomato exported annually to the United States of America. In this project, the strategic objective of ensuring the proper handling of the product was selected and one of the goals associated with this was the employment of quantitative methods to support decision making. Considering the antecedents, the objective of this case study was to develop a model to analyze the behavioral dynamics in the distribution chain, from the logistics of storage and shipment of Roma tomato in 81-case pallets (11.5 kg per case), to the two pre-cooling rooms and eventual loading onto transports, seeking to reduce the bottleneck and the associated costs by means of a dynamic interface. The methodology used was that of system dynamics, considering four phases that were adapted to the purpose of the study: 1) the conceptualization phase; 2) the formulation phase; 3) the evaluation phase; and 4) the communication phase. The main practical conclusions lead to the possibility of reducing both the bottlenecks in the cooling rooms and the costs by simulating scenarios and modifying certain policies. Furthermore, the creation of the dynamic interface between the model and the stakeholders was achieved by generating interaction with buttons and simple instructions that allow making modifications and observing diverse behaviors.
Keywords: Agrilogistics, distribution, scenarios, system dynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 829842 Dynamics of a Vapour Bubble inside a Vertical Rigid Cylinder with a Deposit Rib
Authors: S. Mehran, S. Rouhi, F.Rouzbahani, E. Haghgoo
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In this paper dynamics of a vapour bubble generated due to a local energy input inside a vertical rigid cylinder and in the absence of buoyancy forces is investigated. Different ratios of the diameter of the rigid cylinder to the maximum radius of the bubble are considered. The Boundary Integral Equation Method is employed for numerical simulation of the problem. Results show that during the collapse phase of the bubble inside a vertical rigid cylinder, two liquid micro jets are developed on the top and bottom sides of the vapour bubble and are directed inward. Results also show that existence of a deposit rib inside the vertical rigid cylinder slightly increases the life time of the bubble. It is found that by increasing the ratio of the cylinder diameter to the maximum radius of the bubble, the rate of the growth and collapse phases of the bubble increases and the life time of the bubble decreases.Keywords: Vapour bubble, Vertical rigid cylinder, Boundaryelement method.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1986841 A New Approach In Protein Folding Studies Revealed The Potential Site For Nucleation Center
Authors: Nurul Bahiyah Ahmad Khairudin, Habibah A Wahab
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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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1549840 Weak Instability in Direct Integration Methods for Structural Dynamics
Authors: Shuenn-Yih Chang, Chiu-Li Huang
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Three structure-dependent integration methods have been developed for solving equations of motion, which are second-order ordinary differential equations, for structural dynamics and earthquake engineering applications. Although they generally have the same numerical properties, such as explicit formulation, unconditional stability and second-order accuracy, a different performance is found in solving the free vibration response to either linear elastic or nonlinear systems with high frequency modes. The root cause of this different performance in the free vibration responses is analytically explored herein. As a result, it is verified that a weak instability is responsible for the different performance of the integration methods. In general, a weak instability will result in an inaccurate solution or even numerical instability in the free vibration responses of high frequency modes. As a result, a weak instability must be prohibited for time integration methods.Keywords: Dynamic analysis, high frequency, integration method, overshoot, weak instability.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 675839 Information System Integration after Merger and Acquisition in the Banking Industry
Authors: Shang-Ping Lin, Shi-Hwa Lo, Ho-Li Yang
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Company mergers and acquisitions reached their peak in the twenty-first century. Mergers and acquisitions have become one of the competitive strategies for external growth. In general, it is believed that mergers and acquisitions can create synergies. However, they require complete information technology system and service integration, especially in the banking industry. Much of the research has focused on performance evaluation, shareholder equity allocation, or even the increase of company market value after the merger and acquisition, whereas few scholars have focused on information system integration post merger and acquisition. This study indicates the role of information systems after a merger and acquisition, explaining the benefits of information system integration using a merger and acquisition case in the banking industry as an example. In addition, we discuss factors that affect the performance of information system integration, and utilize system dynamics to interpret the relationship among factors that affect information system integration performance in the banking industry after a merger and acquisition.Keywords: Merger and Acquisition, Information SystemIntegration, System Dynamics
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5272838 On the Oil Repellency of Nanotextured Aluminum Surface
Authors: G. Momen, R. Jafari, M. Farzaneh
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Two different superhydrophobic surfaces were elaborated and their oil repellency behavior was evaluated using several liquid with different surface tension. A silicone rubber/SiO2 nanocomposite coated (A) on aluminum substrate by “spin-coating" and the sample B was an anodized aluminum surface covered by Teflon-like coating. A high static contact angle about ∼162° was measured for two prepared surfaces on which the water droplet rolloff. Scanning electron microscopy (SEM) showed the presence of micro/nanostructures for both sample A and B similar to that of lotus leaf. However the sample A presented significantly different behaviour of wettability against the low surface tension liquid. Sample A has been wetted totally by oil (dodecan) droplet while sample B showed oleophobic behaviour. Oleophobic property of Teflon like coating can be contributed to the presence of CF2 and CF3 functional group which was shown by XPS analysis.Keywords: Oleophobic, Superhydrophobic, Aluminum surface, Nano-texture.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2250837 Characterization of ZrO2/PEG Composite Film as Immobilization Matrix for Glucose Oxidase
Authors: N. M. Ahmad, J. Abdullah, N. I. Ramli, S. Abd Rahman, N. E. Azmi, Z. Hamzah, A. Saat, N. H. Rahman
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A biosensor based on glucose oxidase (GOx) immobilized onto nanoparticles zirconium oxide with polyethylene nanocomposite for glucose monitoring has been designed. The CTAB/PEG/ZrO2/GOx nanocomposite was deposited onto screen printed carbon paste (SPCE) electrode via spin coating technique. The properties of CTAB/PEG/ZrO2/GOx were study using scanning electron microscopy (SEM). The SPE modified with the CTAB/PEG/ZrO2/GOx showed electrocatalytical response to the oxidation of glucose when ferrocene carboxaldehyde was used as an artificial redox mediator, which was studied by cyclic voltammetry (CV). Several parameters such as working potential, effect of pH and effect of ZrO2/PEG layers that governed the analytical performance of the biosensor, have been studied. The biosensor was applied to detect glucose with a linear range of 0.4 to 2.0 mmol L−1 with good repetability and reproducibility.Keywords: Nanocomposite, Nanoparticles, Modified SPE, Ferrocenecarboxaldehyde.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2262836 Computational Study of Improving the Efficiency of Photovoltaic Panels in the UAE
Authors: Ben Richard Hughes, Ng Ping Sze Cherisa, Osman Beg
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Various solar energy technologies exist and they have different application techniques in the generation of electrical power. The widespread use of photovoltaic (PV) modules in such technologies has been limited by relatively high costs and low efficiencies. The efficiency of PV panels decreases as the operating temperatures increase. This is due to the affect of solar intensity and ambient temperature. In this work, Computational Fluid Dynamics (CFD) was used to model the heat transfer from a standard PV panel and thus determine the rate of dissipation of heat. To accurately model the specific climatic conditions of the United Arab Emirates (UAE), a case study of a new build green building in Dubai was used. A finned heat pipe arrangement is proposed and analyzed to determine the improved heat dissipation and thus improved performance efficiency of the PV panel. A prototype of the arrangement is built for experimental testing to validate the CFD modeling and proof of concept.Keywords: Computational Fluid Dynamics, Improving Efficiency, Photovoltaic (PV) Panels, Heat-pipe
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3492835 Semi-Lagrangian Method for Advection Equation on GPU in Unstructured R3 Mesh for Fluid Dynamics Application
Authors: Irakli V. Gugushvili, Nickolay M. Evstigneev
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Numerical integration of initial boundary problem for advection equation in 3 ℜ is considered. The method used is conditionally stable semi-Lagrangian advection scheme with high order interpolation on unstructured mesh. In order to increase time step integration the BFECC method with limiter TVD correction is used. The method is adopted on parallel graphic processor unit environment using NVIDIA CUDA and applied in Navier-Stokes solver. It is shown that the calculation on NVIDIA GeForce 8800 GPU is 184 times faster than on one processor AMDX2 4800+ CPU. The method is extended to the incompressible fluid dynamics solver. Flow over a Cylinder for 3D case is compared to the experimental data.
Keywords: Advection equations, CUDA technology, Flow overthe 3D Cylinder, Incompressible Pressure Projection Solver, Parallel computation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2846834 Determination of the Proper Quality Costs Parameters via Variable Step Size Steepest Descent Algorithm
Authors: Danupun Visuwan, Pongchanun Luangpaiboon
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This paper presents the determination of the proper quality costs parameters which provide the optimum return. The system dynamics simulation was applied. The simulation model was constructed by the real data from a case of the electronic devices manufacturer in Thailand. The Steepest Descent algorithm was employed to optimise. The experimental results show that the company should spend on prevention and appraisal activities for 850 and 10 Baht/day respectively. It provides minimum cumulative total quality cost, which is 258,000 Baht in twelve months. The effect of the step size in the stage of improving the variables to the optimum was also investigated. It can be stated that the smaller step size provided a better result with more experimental runs. However, the different yield in this case is not significant in practice. Therefore, the greater step size is recommended because the region of optima could be reached more easily and rapidly.Keywords: Quality costs, Steepest Descent Algorithm, StepSize, System Dynamics Simulation
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1268833 Simplified Stress Gradient Method for Stress-Intensity Factor Determination
Authors: Jeries J. Abou-Hanna
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Several techniques exist for determining stress-intensity factors in linear elastic fracture mechanics analysis. These techniques are based on analytical, numerical, and empirical approaches that have been well documented in literature and engineering handbooks. However, not all techniques share the same merit. In addition to overly-conservative results, the numerical methods that require extensive computational effort, and those requiring copious user parameters hinder practicing engineers from efficiently evaluating stress-intensity factors. This paper investigates the prospects of reducing the complexity and required variables to determine stress-intensity factors through the utilization of the stress gradient and a weighting function. The heart of this work resides in the understanding that fracture emanating from stress concentration locations cannot be explained by a single maximum stress value approach, but requires use of a critical volume in which the crack exists. In order to understand the effectiveness of this technique, this study investigated components of different notch geometry and varying levels of stress gradients. Two forms of weighting functions were employed to determine stress-intensity factors and results were compared to analytical exact methods. The results indicated that the “exponential” weighting function was superior to the “absolute” weighting function. An error band +/- 10% was met for cases ranging from a steep stress gradient in a sharp v-notch to the less severe stress transitions of a large circular notch. The incorporation of the proposed method has shown to be a worthwhile consideration.
Keywords: Fracture mechanics, finite element method, stress intensity factor, stress gradient.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 766832 Dynamic Modeling of Tow Flexible Link Manipulators
Authors: E. Abedi, A. Ahmadi Nadooshan, S. Salehi
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Modeling and vibration of a flexible link manipulator with tow flexible links and rigid joints are investigated which can include an arbitrary number of flexible links. Hamilton principle and finite element approach is proposed to model the dynamics of flexible manipulators. The links are assumed to be deflection due to bending. The association between elastic displacements of links is investigated, took into account the coupling effects of elastic motion and rigid motion. Flexible links are treated as Euler-Bernoulli beams and the shear deformation is thus abandoned. The dynamic behavior due to flexibility of links is well demonstrated through numerical simulation. The rigid-body motion and elastic deformations are separated by linearizing the equations of motion around the rigid body reference path. Simulation results are shown on for both position and force trajectory tracking tasks in the presence of varying parameters and unknown dynamics remarkably well. The proposed method can be used in both dynamic simulation and controller design.Keywords: Flexible manipulator, flexible link, dynamicmodeling, end point.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2482831 Countercurrent Flow Simulation of Gas-Solid System in a Purge Column Using Computational Fluid Dynamics Techniques
Authors: T. J. Jamaleddine
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Purge columns or degasser vessels are widely used in the polyolefin process for removing trapped hydrocarbons and in-excess catalyst residues from the polymer particles. A uniform distribution of purged gases coupled with a plug-flow characteristic inside the column system is desirable to obtain optimum desorption characteristics of trapped hydrocarbon and catalyst residues. Computational Fluid Dynamics (CFD) approach is a promising tool for design optimization of these vessels. The success of this approach is profoundly dependent on the solution strategy and the choice of geometrical layout at the vessel outlet. Filling the column with solids and initially solving for the solids flow minimized numerical diffusion substantially. Adopting a cylindrical configuration at the vessel outlet resulted in less numerical instability and resembled the hydrodynamics flow of solids in the hopper segment reasonably well.Keywords: CFD, gas-solids flow, gas purging, species transport, purge column, degasser vessel.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 664830 Autonomous Underwater Vehicle (AUV) Dynamics Modeling and Performance Evaluation
Authors: K. M. Tan, A. Anvar, T.F. Lu
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A sophisticated simulator provides a cost-effective measure to carry out preliminary mission testing and diagnostic while reducing potential failures for real life at sea trials. The presented simulation framework covers three key areas: AUV modeling, sensor modeling, and environment modeling. AUV modeling mainly covers the area of AUV dynamics. Sensor modeling deals with physics and mathematical models that govern each sensor installed onto the AUV. Environment model incorporates the hydrostatic, hydrodynamics, and ocean currents that will affect the AUV in a real-time mission. Based on this designed simulation framework, custom scenarios provided by the user can be modeled and its corresponding behaviors can be observed. This paper focuses on the accuracy of the simulated data from AUV model and environmental model derived from a developed AUV test-bed which was jointly upgraded by DSTO and the University of Adelaide. The main contribution of this paper is to experimentally verify the accuracy of the proposed simulation framework.
Keywords: Autonomous Underwater Vehicle (AUV), simulator, framework, robotics, maritime robot, modeling.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4733829 Variational Iteration Method for the Solution of Boundary Value Problems
Authors: Olayiwola M.O., Gbolagade A .W., Akinpelu F. O.
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In this work, we present a reliable framework to solve boundary value problems with particular significance in solid mechanics. These problems are used as mathematical models in deformation of beams. The algorithm rests mainly on a relatively new technique, the Variational Iteration Method. Some examples are given to confirm the efficiency and the accuracy of the method.
Keywords: Variational iteration method, boundary value problems, convergence, restricted variation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2103828 Fabrication and Electrical Characterization of Al/BaxSr1-xTiO3/Pt/SiO2/Si Configuration for FeFET Applications
Authors: Ala'eddin A. Saif , Z. A. Z. Jamal, Z. Sauli, P. Poopalan
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The ferroelectric behavior of barium strontium titanate (BST) in thin film form has been investigated in order to study the possibility of using BST for ferroelectric gate-field effect transistor (FeFET) for memory devices application. BST thin films have been fabricated as Al/BST/Pt/SiO2/Si-gate configuration. The variation of the dielectric constant (ε) and tan δ with frequency have been studied to ensure the dielectric quality of the material. The results show that at low frequencies, ε increases as the Ba content increases, whereas at high frequencies, it shows the opposite variation, which is attributed to the dipole dynamics. tan δ shows low values with a peak at the mid-frequency range. The ferroelectric behavior of the Al/BST/Pt/SiO2/Si has been investigated using C-V characteristics. The results show that the strength of the ferroelectric hysteresis loop increases as the Ba content increases; this is attributed to the grain size and dipole dynamics effect.Keywords: BST thin film, Electrical properties, Ferroelectrichysteresis, Ferroelectric FET.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1533827 Numerical Comparison of Rushton Turbine and CD-6 Impeller in Non-Newtonian Fluid Stirred Tank
Authors: Akhilesh Khapre, Basudeb Munshi
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A computational fluid dynamics simulation is done for non-Newtonian fluid in a baffled stirred tank. The CMC solution is taken as non-Newtonian shear thinning fluid for simulation. The Reynolds Average Navier Stocks equation with steady state multi reference frame approach is used to simulate flow in the stirred tank. The turbulent flow field is modelled using realizable k-ε turbulence model. The simulated velocity profiles of Rushton turbine is validated with literature data. Then, the simulated flow field of CD-6 impeller is compared with the Rushton turbine. The flow field generated by CD-6 impeller is less in magnitude than the Rushton turbine. The impeller global parameter, power number and flow number, and entropy generation due to viscous dissipation rate is also reported.
Keywords: Computational fluid dynamics, non-Newtonian, Rushton turbine, CD-6 impeller, power number, flow number, viscous dissipation rate.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4148826 Source of Oseltamivir Resistance Due to R152K Mutation of Influenza B Virus Neuraminidase: Molecular Modeling
Authors: J. Tengrang, T. Rungrotmongkol, S. Hannongbua
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Every 2-3 years the influenza B virus serves epidemics. Neuraminidase (NA) is an important target for influenza drug design. Although, oseltamivir, an oral neuraminidase drug, has been shown good inhibitory efficiency against wild-type of influenza B virus, the lower susceptibility to the R152K mutation has been reported. Better understanding of oseltamivir efficiency and resistance toward the influenza B NA wild-type and R152K mutant, respectively, could be useful for rational drug design. Here, two complex systems of wild-type and R152K NAs with oseltamivir bound were studied using molecular dynamics (MD) simulations. Based on 5-ns MD simulation, the loss of notable hydrogen bond and decrease in per-residue decomposition energy from the mutated residue K152 contributed to drug compared to those of R152 in wildtype were found to be a primary source of high-level of oseltamivir resistance due to the R152K mutation.Keywords: Influenza B neuraminidase, Molecular dynamics simulation, Oseltamivir resistance, R152K mutant
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1910825 Desktop High-Speed Aerodynamics by Shallow Water Analogy in a Tin Box for Engineering Students
Authors: Etsuo Morishita
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In this paper, we show shallow water in a tin box as an analogous simulation tool for high-speed aerodynamics education and research. It is customary that we use a water tank to create shallow water flow. While a flow in a water tank is not necessarily uniform and is sometimes wavy, we can visualize a clear supercritical flow even when we move a body manually in stationary water in a simple shallow tin box. We can visualize a blunt shock wave around a moving circular cylinder together with a shock pattern around a diamond airfoil. Another interesting analogous experiment is a hydrodynamic shock tube with water and tea. We observe the contact surface clearly due to color difference of the two liquids those are invisible in the real gas dynamics experiment. We first revisit the similarities between high-speed aerodynamics and shallow water hydraulics. Several educational and research experiments are then introduced for engineering students. Shallow water experiments in a tin box simulate properly the high-speed flows.
Keywords: Aerodynamics compressible flow, gas dynamics, hydraulics, shock wave.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 949824 An Application of Extreme Value Theory as a Risk Measurement Approach in Frontier Markets
Authors: Dany Ng Cheong Vee, Preethee Nunkoo Gonpot, Noor-Ul-Hacq Sookia
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In this paper, we consider the application of Extreme Value Theory as a risk measurement tool. The Value at Risk, for a set of indices, from six Stock Exchanges of Frontier markets is calculated using the Peaks over Threshold method and the performance of the model index-wise is evaluated using coverage tests and loss functions. Our results show that “fattailedness” alone of the data is not enough to justify the use of EVT as a VaR approach. The structure of the returns dynamics is also a determining factor. This approach works fine in markets which have had extremes occurring in the past thus making the model capable of coping with extremes coming up (Colombo, Tunisia and Zagreb Stock Exchanges). On the other hand, we find that indices with lower past than present volatility fail to adequately deal with future extremes (Mauritius and Kazakhstan). We also conclude that using EVT alone produces quite static VaR figures not reflecting the actual dynamics of the data.
Keywords: Extreme Value theory, Financial Crisis 2008, Frontier Markets, Value at Risk.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2386823 Investigation of Temperature-Dependent Electrical Properties of Tc-CuPc: PCBM Bulk Heterojunction (BHJ) under Dark Conditions
Authors: Shahid M. Khan, Muhammad H. Sayyad
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An organic bulk heterojunction (BHJ) was fabricated using a blended film containing Copper (II) tetrakis(4-acumylphenoxy) phthalocyanine (Tc-CuPc) along with [6,6]-Phenyl C61 butyric acid methyl ester (PCBM). Weight ratio between Tc-CuPc and PCBM was 1:1. The electrical properties of Tc-CuPc: PCBM BHJ were examined. Rectifying nature of the BHJ was displayed by current-voltage (I-V) curves, recorded in dark and at various temperatures. At low voltages, conduction was ohmic succeeded by space-charge limiting current (SCLC) conduction at higher voltages in which exponential trap distribution was dominant. Series resistance, shunt resistance, ideality factor, effective barrier height and mobility at room temperature were found to be 526 4, 482 k4, 3.7, 0.17 eV and 2×10-7 cm2V-1s-1 respectively. Temperature effect towards different BHJ parameters was observed under dark condition.
Keywords: Bulk heterojunction, PCBM, phthalocyanine, spin coating.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1836822 Computational Fluid Dynamics Expert System using Artificial Neural Networks
Authors: Gonzalo Rubio, Eusebio Valero, Sven Lanzan
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The design of a modern aircraft is based on three pillars: theoretical results, experimental test and computational simulations. As a results of this, Computational Fluid Dynamic (CFD) solvers are widely used in the aeronautical field. These solvers require the correct selection of many parameters in order to obtain successful results. Besides, the computational time spent in the simulation depends on the proper choice of these parameters. In this paper we create an expert system capable of making an accurate prediction of the number of iterations and time required for the convergence of a computational fluid dynamic (CFD) solver. Artificial neural network (ANN) has been used to design the expert system. It is shown that the developed expert system is capable of making an accurate prediction the number of iterations and time required for the convergence of a CFD solver.Keywords: Artificial Neural Network, Computational Fluid Dynamics, Optimization
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2957821 Numerical Study of Vortex Formation inside a Stirred Tank
Authors: Divya Rajavathsavai, Akhilesh Khapre, Basudeb Munshi
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The computational fluid dynamics (CFD) study of stirred tank with the air-water interface are carried out in the presence of different types of the impeller and with or without baffles. A multiple reference frame (MRF) approach with the volume of fluid (VOF) method is used to capture the air-water interface. The RANS (Reynolds Averaged Navier-Stokes) equations with k-ε turbulence model are solved to predict the flow behavior of water and air phase which are treated as a different phases. The predicted results have shown that the VOF method is able to capture the interface in the unbaffled tank. While, the VOF method is showing an unfeasible results in the baffled tank with high rotational impeller speed. For continuous stirred tank, the air-water interface is disturbed by the inflow and the level of water is also increased with time.
Keywords: Computational Fluid Dynamics, stirred tank, airwater interface, multiple reference frame, volume of fluid, Reynolds Averaged Navier-Stokes equations.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4368820 Molecular Dynamics Study on Laninamivir Inhibiting Neuraminidases of H5N1 and pH1N1 Influenza a Viruses
Authors: A. Meeprasert, W. Khuntawee, S. Hannongbua, T. Rungrotmongkol
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Viral influenza A subtypes H5N1 and pandemic H1N1 (pH1N1) have worldwide emerged and transmitted. The most common anti-influenza drug for treatment of both seasonal and pandemic influenza viruses is oseltamivir that nowadays becomes resistance to influenza neuraminidase. The novel long-acting drug, laninamivir, was discovered for treatment of the patients infected with influenza B and influenza A viruses. In the present study, laninamivir complexed with wild-type strain of both H5N1 and pH1N1 viruses were comparatively determined the structures and drug-target interactions by means of molecular dynamics (MD) simulations. The results show that the hydrogen bonding interactions formed between laninamivir and its binding residues are likely similar for the two systems. Additionally, the presence of intermolecular interactions from laninamivir to the residues in the binding pocket is established through their side chains in accordance with hydrogen bond interactions.Keywords: Laninamivir, neuraminidase, H5N1, pandemic H1N1, wild-type, MD simulation
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1683819 Lunar Rover Virtual Simulation System with Autonomous Navigation
Authors: Bao Jinsong, Hu Xiaofeng, Wang Wei, Yu Dili, Jin Ye
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The paper researched and presented a virtual simulation system based on a full-digital lunar terrain, integrated with kinematics and dynamics module as well as autonomous navigation simulation module. The system simulation models are established. Enabling technologies such as digital lunar surface module, kinematics and dynamics simulation, Autonomous navigation are investigated. A prototype system for lunar rover locomotion simulation is developed based on these technologies. Autonomous navigation is a key echnology in lunar rover system, but rarely involved in virtual simulation system. An autonomous navigation simulation module have been integrated in this prototype system, which was proved by the simulation results that the synthetic simulation and visualizing analysis system are established in the system, and the system can provide efficient support for research on the autonomous navigation of lunar rover.
Keywords: Lunar rover, virtual simulation, autonomous navigation, full-digital lunar terrain
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1928818 A Lagrangian Hamiltonian Computational Method for Hyper-Elastic Structural Dynamics
Authors: Hosein Falahaty, Hitoshi Gotoh, Abbas Khayyer
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Performance of a Hamiltonian based particle method in simulation of nonlinear structural dynamics is subjected to investigation in terms of stability and accuracy. The governing equation of motion is derived based on Hamilton's principle of least action, while the deformation gradient is obtained according to Weighted Least Square method. The hyper-elasticity models of Saint Venant-Kirchhoff and a compressible version similar to Mooney- Rivlin are engaged for the calculation of second Piola-Kirchhoff stress tensor, respectively. Stability along with accuracy of numerical model is verified by reproducing critical stress fields in static and dynamic responses. As the results, although performance of Hamiltonian based model is evaluated as being acceptable in dealing with intense extensional stress fields, however kinds of instabilities reveal in the case of violent collision which can be most likely attributed to zero energy singular modes.
Keywords: Hamilton's principle of least action, particle based method, hyper-elasticity, analysis of stability.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1671817 Spreading Dynamics of a Viral Infection in a Complex Network
Authors: Khemanand Moheeput, Smita S. D. Goorah, Satish K. Ramchurn
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We report a computational study of the spreading dynamics of a viral infection in a complex (scale-free) network. The final epidemic size distribution (FESD) was found to be unimodal or bimodal depending on the value of the basic reproductive number R0 . The FESDs occurred on time-scales long enough for intermediate-time epidemic size distributions (IESDs) to be important for control measures. The usefulness of R0 for deciding on the timeliness and intensity of control measures was found to be limited by the multimodal nature of the IESDs and by its inability to inform on the speed at which the infection spreads through the population. A reduction of the transmission probability at the hubs of the scale-free network decreased the occurrence of the larger-sized epidemic events of the multimodal distributions. For effective epidemic control, an early reduction in transmission at the index cell and its neighbors was essential.
Keywords: Basic reproductive number, epidemic control, scalefree network, viral infection.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1720816 Reversible Binary Arithmetic for Integrated Circuit Design
Authors: D. Krishnaveni, M. Geetha Priya
Abstract:
Application of reversible logic in integrated circuits results in the improved optimization of power consumption. This technology can be put into use in a variety of low power applications such as quantum computing, optical computing, nano-technology, and Complementary Metal Oxide Semiconductor (CMOS) Very Large Scale Integrated (VLSI) design etc. Logic gates are the basic building blocks in the design of any logic network and thus integrated circuits. In this paper, reversible Dual Key Gate (DKG) and Dual key Gate Pair (DKGP) gates that work singly as full adder/full subtractor are used to realize the basic building blocks of logic circuits. Reversible full adder/subtractor and parallel adder/ subtractor are designed using other reversible gates available in the literature and compared with that of DKG & DKGP gates. Efficient performance of reversible logic circuits relies on the optimization of the key parameters viz number of constant inputs, garbage outputs and number of reversible gates. The full adder/subtractor and parallel adder/subtractor design with reversible DKGP and DKG gates results in least number of constant inputs, garbage outputs, and number of reversible gates compared to the other designs. Thus, this paper provides a threshold to build more complex arithmetic systems using these reversible logic gates, leading to the enhanced performance of computing systems.
Keywords: Low power CMOS, quantum computing, reversible logic gates, full adder, full subtractor, parallel adder/subtractor, basic gates, universal gates.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1438815 Blood Cell Dynamics in a Simple Shear Flow using an Implicit Fluid-Structure Interaction Method Based on the ALE Approach
Authors: Choeng-Ryul Choi, Chang-Nyung Kim, Tae-Hyub Hong
Abstract:
A numerical method is developed for simulating the motion of particles with arbitrary shapes in an effectively infinite or bounded viscous flow. The particle translational and angular motions are numerically investigated using a fluid-structure interaction (FSI) method based on the Arbitrary-Lagrangian-Eulerian (ALE) approach and the dynamic mesh method (smoothing and remeshing) in FLUENT ( ANSYS Inc., USA). Also, the effects of arbitrary shapes on the dynamics are studied using the FSI method which could be applied to the motions and deformations of a single blood cell and multiple blood cells, and the primary thrombogenesis caused by platelet aggregation. It is expected that, combined with a sophisticated large-scale computational technique, the simulation method will be useful for understanding the overall properties of blood flow from blood cellular level (microscopic) to the resulting rheological properties of blood as a mass (macroscopic).Keywords: Blood Flow, Fluid-Structure Interaction (FSI), Micro-Channels, Arbitrary Shapes, Red Blood Cells (RBCs)
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2311