Search results for: numerical simulation.

Authors: Narumol Chintaganun

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In this paper we present the second-order central differencing scheme with the staggered version (STG) for solving the advection equation and Burger's equation. This scheme based on staggered evolution of the re-constructed cell averages. This scheme results in the second-order central differencing scheme, an extension along the lines of the first-order central scheme of Lax-Friedrichs (LxF) scheme. All numerical simulations presented in this paper are obtained by finite difference method (FDM) and STG. Numerical results are shown that the STG gives very good results and higher accuracy.

Keywords: central differencing scheme, STG, advection equation, burgers equation

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Authors: Amir Abbas Kamanbedast, Abbas Saki

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Stepped spillways are composed of several steps, which start from around the spillway crest and continue to the downstream heel. Recently, such spillways have been receiving increasing attention due to the significant effect of the associated stairs on the flow’s rate of energy dissipation. Energy dissipation in the stepped spillways across the overflow can be explained by the watercourse contact with the stairs (i.e., large, harsh surfaces). In this context, less energy must be dissipated at the end of the spillway, and, hence, a smaller (less expensive) energy-dissipating structure is required. In this study, a stepped spillway was simulated using the model Fluent 3, and a standard model was used to model the flow disturbance. For this purpose, the energy dissipation from the stepped spillway was investigated in terms of the different numbers of stairs involved. Using k-ε, the disturbances of the numerical method for velocity and of flow depth at the downstream overflow were obtained, and, then, the energy that was dissipated throughout the spillway was calculated. Our results showed that an increase in the number of stairs can considerably increase the amount of energy dissipation for the fixed, upstream energy. In addition, the results of the numerical analyses were provided as isobar and velocity curves so points that were sensitive to cavitation could be determined.

Keywords: stepped spillway, fluent software, turbulence model of k-ε, VOF model

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Authors: Amit Kumar, Jaikumar V., Pradeep A. G., Shivakumar Bhavi

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Amit Kumar, Jaikumar V, Pradeep AG, Shivakumar Bhavi Reducing sloshing is one of the major challenges in industries where transporting of liquid is involved. The present study investigates the sloshing effect for different liquid levels of 50% of the tank capacity. CFD simulation for two different baffle configurations has been carried out using a time-based multiphase Volume of fluid (VOF) scheme. Baffles were introduced to examine the sloshing effect inside the tank. Results were compared against the baseline case to assess the effectiveness of baffles; maximum liquid height over the period of the simulation was considered as the parameter for measuring the sloshing effect inside the tank. It was found that the addition of baffles reduced the sloshing effect inside the tank as compared to the baseline model.

Keywords: CFD, sloshing, VOF, multiphase

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Authors: Radouane Elbahjaoui, Hamid El Qarnia

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The present work aims to investigate numerically the thermal and flow characteristics of a rectangular latent heat storage unit (LHSU) during the melting process of a phase change material (PCM). The LHSU consists of a number of vertical and identical plates of PCM separated by rectangular channels. The melting process is initiated when the LHSU is heated by a heat transfer fluid (HTF: water) flowing in channels in a downward or upward direction. The proposed study is motivated by the need to optimize the thermal performance of the LHSU by accelerating the charging process. A mathematical model is developed and a fixed-grid enthalpy formulation is adopted for modeling the melting process coupling with convection-conduction heat transfer. The finite volume method was used for discretization. The obtained numerical results are compared with experimental, analytical and numerical ones found in the literature and reasonable agreement is obtained. Thereafter, the numerical investigations were carried out to highlight the effects of the HTF flow direction and the aspect ratio of the PCM slabs on the heat transfer characteristics and thermal performance enhancement of the LHSU.

Keywords: PCM, TES, LHSU, melting

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Authors: Prodromos E. Atlamazoglou

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The method of moments combined with the method of symmetrical components is used for the analysis of interstitial hyperthermia applicators. The basis and testing functions are both piecewise sinusoids, qualifying our technique as a Galerkin one. The dielectric coatings are modeled by equivalent volume polarization currents, which are simply related to the conduction current distribution, avoiding in that way the introduction of additional unknowns or numerical integrations. The results of our method for a four dipole circular array, are in agreement with those already published in literature for a same hyperthermia configuration. Apart from being accurate, our approach is more general, more computationally efficient and takes into account the coupling between the antennas.

Keywords: hyperthermia, integral equations, insulated antennas, method of symmetrical components

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Authors: Alireza Keshmiri, Shahriar Bagheri, Nan Wu

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This research presents an analytical model for the development of an energy harvester with piezoelectric rings stacked at the boundary of the structure based on the Adomian decomposition method. The model is applied to geometrically non-uniform beams to derive the steady-state dynamic response of the structure subjected to base motion excitation and efficiently harvest the subsequent vibrational energy. The in-plane polarization of the piezoelectric rings is employed to enhance the electrical power output. A parametric study for the proposed energy harvester with various design parameters is done to prepare the dataset required for optimization. Finally, simulation-based optimization technique helps to find the optimum structural design with maximum efficiency. To solve the optimization problem, an artificial neural network is first trained to replace the simulation model, and then, a genetic algorithm is employed to find the optimized design variables. Higher geometrical non-uniformity and length of the beam lowers the structure natural frequency and generates a larger power output.

Keywords: piezoelectricity, energy harvesting, simulation-based optimization, artificial neural network, genetic algorithm

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Authors: Marzieh Khezerloo, Lyazid Djenidi

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Owing to wide range of the micro-device applications, the problems of mixing at small scales is of significant interest. Also, because most of the processes produce heat, it is needed to develop and implement strategies for heat removal in these devices. There are many studies which focus on the effect of roughness or suction on heat transfer performance, separately, although it would be useful to take advantage of these two methods to improve heat transfer performance. Unfortunately, there is a gap in this area. The present numerical study is carried to investigate the combined effects of roughness and wall suction on heat transfer performance of a laminar channel flow; suction is applied on the top and back faces of the roughness element, respectively. The study is carried out for different Reynolds numbers, different suction rates, and various locations of suction area on the roughness. The flow is assumed two dimensional, incompressible, laminar, and steady state. The governing Navier-Stokes equations are solved using ANSYS-Fluent 18.2 software. The present results are tested against previous theoretical results. The results show that by adding suction, the local Nusselt number is enhanced in the channel. In addition, it is shown that by applying suction on the bottom section of the roughness back face, one can reduce the thickness of thermal boundary layer, which leads to an increase in local Nusselt number. This indicates that suction is an effective means for improving the heat transfer rate (suction by controls the thickness of thermal boundary layer). It is also shown that the size and intensity of vortical motion behind the roughness element, decreased with an increasing suction rate, which leads to higher local Nusselt number. So, it can be concluded that by using suction, strategically located on the roughness element, one can control both the recirculation region and the heat transfer rate. Further results will be presented at the conference for coefficient of drag and the effect of adding more roughness elements.

Keywords: heat transfer, laminar flow, numerical simulation, roughness, suction

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Authors: Amitabh Das, Yash Jain, Mohammad Rafiq B. Agrewale, K. C. Vora

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Role of wheel and underbody aerodynamics of vehicle in the formation of drag forces is detrimental to the fuel (energy) consumption during the course of operation at high velocities. This paper deals with the CFD simulation of the flow around the wheels of a bus with different wheel housing geometry and pattern. Based on benchmarking a model of a bus is selected and analysis is performed. The aerodynamic drag coefficient is obtained and turbulence around wheels is observed using ANSYS Fluent CFD simulation for different combinations of wheel-housing at the front wheels, at the rear wheels and both in the front and rear wheels. The drag force is recorded and corresponding influence on energy consumption on an electric bus is evaluated mathematically. A comparison is drawn between energy consumption of bus body without wheel housing and bus body with wheel housing. The result shows a significant reduction in drag coefficient and fuel consumption.

Keywords: wheel-housing, CFD simulation, drag coefficient, energy consumption

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Authors: Henrique C. C. Andrade, Ana Beatriz C. G. Silva, Fernando Luiz B. Ribeiro, Samir Maghous, Jose Claudio F. Telles, Eduardo M. R. Fairbairn

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The present paper aims at developing a parallel computational model for numerical simulation of poromechanics analyses of heterogeneous reservoirs. In the context of macroscopic poroelastoplasticity, the hydromechanical coupling between the skeleton deformation and the fluid pressure is addressed by means of two constitutive equations. The first state equation relates the stress to skeleton strain and pore pressure, while the second state equation relates the Lagrangian porosity change to skeleton volume strain and pore pressure. A specific algorithm for local plastic integration using a tangent operator is devised. A modified Cam-clay type yield surface with associated plastic flow rule is adopted to account for both contractive and dilative behavior.

Keywords: finite element method, poromechanics, poroplasticity, reservoir analysis

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Authors: Benedictus Asriparusa, Lathifah Al Hakimi, Aulia Husada

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A large amount of energy is being wasted by the release of natural gas associated with the oil industry. This release interrupts the environment particularly atmosphere layer condition globally which contributes to global warming impact. This research presents an overview of the methods employed by researchers in PT. Chevron Pacific Indonesia in the Minas area to determine a new prediction method of measuring and reducing gas flaring and its emission. The method emphasizes advanced research which involved analytical studies, numerical studies, modeling, and computer simulations, amongst other techniques. A flaring system is the controlled burning of natural gas in the course of routine oil and gas production operations. This burning occurs at the end of a flare stack or boom. The combustion process releases emissions of greenhouse gases such as NO2, CO2, SO2, etc. This condition will affect the chemical composition of air and environment around the boundary layer mainly during transition season. Transition season in Indonesia is absolutely very difficult condition to predict its pattern caused by the difference of two air mass conditions. This paper research focused on transition season in 2013. A simulation to create the new pattern of the pollutants distribution is needed. This paper has outlines trends in gas flaring modeling and current developments to predict the dominant variables in the pollutants distribution. A Fluent model is used to simulate the distribution of pollutants gas coming out of the stack, whereas WRF model output is used to overcome the limitations of the analysis of meteorological data and atmospheric conditions in the study area. Based on the running model, the most influence factor was wind speed. The goal of the simulation is to predict the new pattern based on the time of fastest wind and slowest wind occurs for pollutants distribution. According to the simulation results, it can be seen that the fastest wind (last of March) moves pollutants in a horizontal direction and the slowest wind (middle of May) moves pollutants vertically. Besides, the design of flare stack in compliance according to EPA Oil and Gas Facility Stack Parameters likely shows pollutants concentration remains on the under threshold NAAQS (National Ambient Air Quality Standards).

Keywords: flare motion, new prediction, pollutants distribution, transition season, WRF model

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Authors: Jixiang Zhang, Yanhua Wang

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A dynamic of Bertrand duopoly game is analyzed, where players use different production methods and choose their prices with bounded rationality. The equilibriums of the corresponding discrete dynamical systems are investigated. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability of Nash equilibrium, as some parameters of the model are varied, gives rise to complex dynamics such as cycles of higher order and chaos. On this basis, we discover that an increase of adjustment speed of bounded rational player can make Bertrand market sink into the chaotic state. Finally, the complex dynamics, bifurcations and chaos are displayed by numerical simulation.

Keywords: Bertrand duopoly model, discrete dynamical system, heterogeneous expectations, nash equilibrium

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Authors: Valery Gulyayev, Sergey Glazunov, Elena Andrusenko, Nataliya Shlyun

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Enhancement of technology and techniques for drilling deep directed oil and gas bore-wells are of essential industrial significance because these wells make it possible to increase their productivity and output. Generally, they are used for drilling in hard and shale formations, that is why their drivage processes are followed by the emergency and failure effects. As is corroborated by practice, the principal drilling drawback occurring in drivage of long curvilinear bore-wells is conditioned by the need to obviate essential force hindrances caused by simultaneous action of the gravity, contact and friction forces. Primarily, these forces depend on the type of the technological regime, drill string stiffness, bore-hole tortuosity and its length. They can lead to the Eulerian buckling of the drill string and its sticking. To predict and exclude these states, special mathematic models and methods of computer simulation should play a dominant role. At the same time, one might note that these mechanical phenomena are very complex and only simplified approaches (‘soft string drag and torque models’) are used for their analysis. Taking into consideration that now the cost of directed wells increases essentially with complication of their geometry and enlargement of their lengths, it can be concluded that the price of mistakes of the drill string behavior simulation through the use of simplified approaches can be very high and so the problem of correct software elaboration is very urgent. This paper deals with the problem of simulating the regimes of drilling deep curvilinear bore-wells with prescribed imperfect geometrical trajectories of their axial lines. On the basis of the theory of curvilinear flexible elastic rods, methods of differential geometry, and numerical analysis methods, the 3D ‘stiff-string drag and torque model’ of the drill string bending and the appropriate software are elaborated for the simulation of the tripping in and out regimes and drilling operations. It is shown by the computer calculations that the contact and friction forces can be calculated and regulated, providing predesigned trouble-free modes of operation. The elaborated mathematic models and software can be used for the emergency situations prognostication and their exclusion at the stages of the drilling process design and realization.

Keywords: curvilinear drilling, drill string tripping in and out, contact forces, resistance forces

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Authors: Ramy H. Mohammed

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In heat sinks, the flow within the core exhibits separation and hence does not lend itself to simple analytical boundary layer or duct flow analysis of the wall friction. In this paper, I present some findings from an experimental and numerical study aimed to obtain physical insight into the influence of the presence of the shield and its position on the hydraulic and thermal performance of square pin fin heat sink without top by-pass. The variations of the Nusselt number and friction factor are obtained under varied parameters, such as the Reynolds number and the shield position. The numerical code is validated by comparing the numerical results with the available experimental data. It is shown that, there is a good agreement between the temperature predictions based on the model and the experimental data. Results show that, as the presence of the shield, the heat transfer of fin array is enhanced and the flow resistance increased. The surface temperature distribution of the heat sink base is more uniform when the dimensionless shield position equals to 1/3 or 2/3. The comprehensive performance evaluation approach based on identical pumping power criteria is adopted and shows that the optimum shield position is at x/l=0.43 where energy is saved.

Keywords: shield, fin array, performance evaluation, heat transfer, energy

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Authors: Mohamed Lyes Kamel Khouadjia, Bouzidi Mezghiche

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The evolution in the civil engineering and carried out more consumption of aggregates and particularly the sand. Due to the depletion of natural reserves of sand, it is necessary to focus on the use of local materials such as crushed sand, river sand and dune sand, mineral additions. The aim of this work is to improve the state of knowledge on the compressive strengths of crushed sands with several mixtures (dune sand, river sand, pozzolan, and slag). The obtained results were compared with numerical results obtained with the software Béton Lab Pro 3.

Keywords: crushed sand, river sand, dune sand, pouzzolan, slag, compressive strengths, Béton Lab Pro 3

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Authors: Marcel Meinhardt, Manfred Keuser, Thomas Braml

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Cracking of reinforced concrete is a complex phenomenon induced by direct loads or restraints affecting reinforced concrete structures as soon as the tensile strength of the concrete is exceeded. Hence it is important to predict where cracks will be located and how they will propagate. The bond theory and the crack formulas in the actual design codes, for example, DIN EN 1992-1-1, are all based on the assumption that the reinforcement bars are embedded in homogeneous concrete without taking into account the influence of transverse reinforcement and the real stress situation. However, it can often be observed that real structures such as walls, slabs or beams show a crack spacing that is orientated to the transverse reinforcement bars or to the stirrups. In most Finite Element Analysis studies, the smeared crack approach is used for crack prediction. The disadvantage of this model is that the typical strain localization of a crack on element level can’t be seen. The crack propagation in concrete is a discontinuous process characterized by different factors such as the initial random distribution of defects or the scatter of material properties. Such behavior presupposes the elaboration of adequate models and methods of simulation because traditional mechanical approaches deal mainly with average material parameters. This paper concerned with the modelling of the initiation and the propagation of cracks in reinforced concrete structures considering the influence of transverse reinforcement and the real stress distribution in reinforced concrete (R/C) beams/plates in bending action. Therefore, a parameter study was carried out to investigate: (I) the influence of the transversal reinforcement to the stress distribution in concrete in bending mode and (II) the crack initiation in dependence of the diameter and distance of the transversal reinforcement to each other. The numerical investigations on the crack initiation and propagation were carried out with a 2D reinforced concrete structure subjected to quasi static loading and given boundary conditions. To model the uncertainty in the tensile strength of concrete in the Finite Element Analysis correlated normally and lognormally distributed random filed with different correlation lengths were generated. The paper also presents and discuss different methods to generate random fields, e.g. the Covariance Matrix Decomposition Method. For all computations, a plastic constitutive law with softening was used to model the crack initiation and the damage of the concrete in tension. It was found that the distributions of crack spacing and crack widths are highly dependent of the used random field. These distributions are validated to experimental studies on R/C panels which were carried out at the Laboratory for Structural Engineering at the University of the German Armed Forces in Munich. Also, a recommendation for parameters of the random field for realistic modelling the uncertainty of the tensile strength is given. The aim of this research was to show a method in which the localization of strains and cracks as well as the influence of transverse reinforcement on the crack initiation and propagation in Finite Element Analysis can be seen.

Keywords: crack initiation, crack modelling, crack propagation, cracks, numerical simulation, random fields, reinforced concrete, stochastic

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Authors: Matloub Hussaina

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This paper investigates the impact of information sharing and capacity constraints on backlog bullwhip effect of Automatic Pipe Line Inventory and Order Based Production Control System (APIOBPCS). System dynamic simulation using iThink Software has been applied. It has been found that smooth ordering by Tier 1 can be achieved when Tier 1 has medium capacity constraints. Simulation experiments also show that information sharing helps to reduce 50% of backlog bullwhip effect in capacitated supply chains. This knowledge is of value per se, giving supply chain operations managers and designers a practical way in to controlling the backlog bullwhip effect. Future work should investigate the total cost implications of capacity constraints and safety stocks in multi-echelon supply chain.

Keywords: supply chain dynamics, information sharing, capacity constraints, simulation, APIOBPCS

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Authors: Seyed Abolhasan Naeini, Eisa Aliagahei

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Today, the use of geosynthetic materials in geotechnical activities is increasing significantly. One of the main uses of these materials is to increase the compressive strength of clay reinforced by geotextile layers. In the present study, the effect of clay reinforcement by geotextile layers in increasing the compressive strength of clay has been investigated using modeling in ABAQUS 6.11.3 software. For this purpose, the modified Drager Prager model has been chosen to simulate the stress-strain behavior of soil layers and the linear elastic model for the geotextile layer. Unreinforced samples and reinforced samples are modeled by geotextile layers (1, 2 and 3 geotextile layers) by software. In order to validate the results, an article in the same field was used and the numerical modeling results were calibrated with the laboratory results. Based on the obtained results, the software has a suitable capability for modeling and the results of the numerical model overlap with the laboratory results to a very acceptable extent, by increasing the number of geotextile layers, the error between the results of the laboratory sample and the software model increases. The highest amount of error is related to the sample reinforced with three layers of geotextile and is 7.3%.

Keywords: Abaqus, cap model, clay, geotextile layer, reinforced soil

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Authors: Omid Tavasoli, Mahmoud Ghazavi

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A numerical analysis of drivability of piles in different geometry is presented. In this paper, a three-dimensional finite difference analysis for plastic point extension and soil compaction in the effect of pile driving is analyzed. Four pile configurations such as cylindrical pile, fully tapered pile, T-C pile consists of a top tapered segment and a lower cylindrical segment and C-T pile has a top cylindrical part followed by a tapered part are investigated. All piles which driven up to a total penetration depth of 16 m have the same length with equivalent surface area and approximately with identical material volumes. An idealization for pile-soil system in pile driving is considered for this approach. A linear elastic material is assumed to model the vertical pile behaviors and the soil obeys the elasto-plastic constitutive low and its failure is controlled by the Mohr-Coulomb failure criterion. A slip which occurred at the pile-soil contact surfaces along the shaft and the toe in pile driving procedures is simulated with interface elements. All initial and boundary conditions are the same in all analyses. Quiet boundaries are used to prevent wave reflection in the lateral and vertical directions for the soil. The results obtained from numerical analyses were compared with available other numerical data and laboratory tests, indicating a satisfactory agreement. It will be shown that with increasing the angle of taper, the permanent piles toe settlement increase and therefore, the extension of plastic points increase. These are interesting phenomena in pile driving and are on the safe side for driven piles.

Keywords: pile driving, finite difference method, non-uniform piles, pile geometry, pile set, plastic points, soil compaction

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Authors: Sreekanth T. G., Kishorekumar S., Sowndhariya Kumar J., Karthick R., Shanmugasuriyan S.

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Composites are increasingly being used in industries due to their unique properties, such as high specific stiffness and specific strength, higher fatigue and wear resistances, and higher damage tolerance capability. Composites are prone to failures or damages that are difficult to identify, locate, and characterize due to their complex design features and complicated loading conditions. The lack of understanding of the damage mechanism of the composites leads to the uncertainties in the structural integrity and durability. Delamination is one of the most critical failure mechanisms in laminated composites because it progressively affects the mechanical performance of fiber-reinforced polymer composite structures over time. The identification and severity characterization of delamination in engineering fields such as the aviation industry is critical for both safety and economic concerns. The presence of delamination alters the vibration properties of composites, such as natural frequencies, mode shapes, and so on. In this study, numerical analysis and experimental analysis were performed on delaminated and non-delaminated glass fiber reinforced polymer (GFRP) plate, and the numerical and experimental analysis results were compared, and error percentage has been found out.

Keywords: composites, delamination, natural frequency, mode shapes

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Authors: Yuanhao Gao, Pin Lin, Kees Weijer

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In this paper, we will determine the external body force distribution with analysis of stokes fluid motion using mathematical modelling and numerical approaching. The body force distribution is regarded as the unknown variable and could be determined by the idea of optimal control theory. The Stokes flow motion and its velocity are generated by given forces in a unit square domain. A regularized objective functional is built to match the numerical result of flow velocity with the generated velocity data. So that the force distribution could be determined by minimizing the value of objective functional, which is also the difference between the numerical and experimental velocity. Then after utilizing the Lagrange multiplier method, some partial differential equations are formulated consisting the optimal control system to solve. Finite element method and conjugate gradient method are used to discretize equations and deduce the iterative expression of target body force to compute the velocity numerically and body force distribution. Programming environment FreeFEM++ supports the implementation of this model.

Keywords: optimal control model, Stokes equation, finite element method, conjugate gradient method

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Authors: Sonia Sonia

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This paper presents a family of iterative scheme for solving nonlinear systems of equations which have wide application in sciences and engineering. The proposed iterative family is based upon some parameters which generates many different iterative schemes. This family is completely derivative free and uses first of divided difference operator. Moreover some numerical experiments are performed and compared with existing methods. Analysis of convergence shows that the presented family has fourth-order of convergence. The dynamical behaviour of proposed family and local convergence have also been discussed. The numerical performance and convergence region comparison demonstrates that proposed family is efficient.

Keywords: convergence, divided difference operator, nonlinear system, Newton's method

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Authors: A. Bouchakour, L. Zaghba, M. Brahami, A. Borni

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The work presented in this paper present the design and the simulation of a centrifugal pump coupled to a photovoltaic (PV) generator via a MPPT controller. The PV system operating is just done in sunny period by using water storage instead of electric energy storage. The process concerns the modelling, identification and simulation of a photovoltaic pumping system, the centrifugal pump is driven by an asynchronous three-phase voltage inverter sine triangle PWM motor through. Two configurations were simulated. For the first, it is about the alimentation of the motor pump group from electrical power supply. For the second, the pump unit is connected directly to the photovoltaic panels by integration of a MPPT control. A code of simulation of the solar pumping system was initiated under the Matlab-Simulink environment. Very convivial and flexible graphic interfaces allow an easy use of the code and knowledge of the effects of change of the sunning and temperature on the pumping system.

Keywords: photovoltaic generator, chopper, electrical motor, centrifugal pump

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Authors: Sharon-Yasotha Veerayah-Mcgregor, Valipuram Manoranjan

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A backward or inverse problem is known to be an ill-posed problem due to its instability that easily emerges with any slight change within the conditions of the problem. Therefore, only a limited number of numerical approaches are available to solve a backward problem. This paper considers the Nagumo equation, an equation that describes impulse propagation in nerve axons, which also models population growth with the Allee effect. A creative operator splitting numerical scheme is constructed to solve the inverse Nagumo equation. Computational simulations are used to verify that this scheme is stable, accurate, and efficient.

Keywords: inverse/backward equation, operator-splitting, Nagumo equation, ill-posed, finite-difference

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Authors: Ruqaiya Khalil, Saman Usmani, Zaheer Ul-Haq

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The accurate characterization of ligand binding affinity is indispensable for designing molecules with optimized binding affinity. Computational tools help in many directions to predict quantitative correlations between protein-ligand structure and their binding affinities. Molecular dynamics (MD) simulation is a modern state-of-the-art technique to evaluate the underlying basis of ligand-protein interactions by characterizing dynamic and energetic properties during the event. Autoimmune diseases arise from an abnormal immune response of the body against own tissues. The current regimen for the described condition is limited to immune-modulators having compromised pharmacodynamics and pharmacokinetics profiles. One of the key player mediating immunity and tolerance, thus invoking autoimmunity is Interleukin-2; a cytokine influencing the growth of T cells. Molecular dynamics simulation techniques are applied to seek insight into the inhibitory mechanisms of newly synthesized compounds that manifested immunosuppressant potentials during in silico pipeline. In addition to estimation of free energies associated with ligand binding, MD simulation yielded us a great deal of information about ligand-macromolecule interactions to evaluate the pattern of interactions and the molecular basis of inhibition. The present study is a continuum of our efforts to identify interleukin-2 inhibitors of both natural and synthetic origin. Herein, we report molecular dynamics simulation studies of Interluekin-2 complexed with different antagonists previously reported by our group. The study of protein-ligand dynamics enabled us to gain a better understanding of the contribution of different active site residues in ligand binding. The results of the study will be used as the guide to rationalize the fragment based synthesis of drug-like interleukin-2 inhibitors as immune-modulators.

Keywords: immuno-modulators, MD simulation, protein-ligand interaction, structure-based drug design

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Authors: Haifeng Zhou, Tsungyang Liow, Xiaoguang Tu, Eujin Lim, Chao Li, Junfeng Song, Xianshu Luo, Ying Huang, Lianxi Jia, Lianwee Luo, Qing Fang, Mingbin Yu, Guoqiang Lo

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With the development of technology, countries gradually allocated more and more frequency spectrums for civilization and commercial usage, especially those high radio frequency bands indicating high information capacity. The field effect becomes more and more prominent in microwave components as frequency increases, which invalidates the transmission line theory and complicate the design of microwave components. Here a modeling approach based on numerical search algorithm is proposed to design various building blocks for microwave circuits to avoid complicated impedance matching and equivalent electrical circuit approximation. Concretely, a microwave component is discretized to a set of segments along the microwave propagation path. Each of the segment is initialized with random dimensions, which constructs a multiple-dimension parameter space. Then numerical searching algorithms (e.g. Pattern search algorithm) are used to find out the ideal geometrical parameters. The optimal parameter set is achieved by evaluating the fitness of S parameters after a number of iterations. We had adopted this approach in our current projects and designed many microwave components including sharp bends, T-branches, Y-branches, microstrip-to-stripline converters and etc. For example, a stripline 90° bend was designed in 2.54 mm x 2.54 mm space for dual-band operation (Ka band and Ku band) with < 0.18 dB insertion loss and < -55 dB reflection. We expect that this approach can enrich the tool kits for microwave designers.

Keywords: microwave component, microstrip and stripline, bend, power division, the numerical search algorithm.

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Authors: Nqobile Muleya, Winston Garira, Godwin Mchau

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Citrus Black Spot (CBS) is a fungal disease that is responsible for huge economical loss and poses a threat to the citrus industry worldwide. We construct a mathematical model framework for citrus black spot between fruits to characterise the dynamics of the disease development, paying attention to the pathogen life cycle. We have made an observation from the model analysis that the initial inoculum from ascomata is very important for disease development and thereafter it is no longer important due to conidia which is responsible for secondary infection. Most importantly, the model indicated that ascospores and conidia are very important parameters in developing citrus black spot within a short distance. The basic reproductive number and its importance in relation to citrus black spot persistence are outlined. A numerical simulation of the model was done to explain the theoretical findings.

Keywords: epidemiological modelling, Guidnardia citricarpa, life cycle stage, fungal, disease development

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Authors: Wararit Panichkitkosolkul

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The unit root tests based on the robust estimator for the first-order autoregressive process are proposed and compared with the unit root tests based on the ordinary least squares (OLS) estimator. The percentiles of the null distributions of the unit root test are also reported. The empirical probabilities of Type I error and powers of the unit root tests are estimated via Monte Carlo simulation. Simulation results show that all unit root tests can control the probability of Type I error for all situations. The empirical power of the unit root tests based on the robust estimator are higher than the unit root tests based on the OLS estimator.

Keywords: autoregressive, ordinary least squares, type i error, power of the test, Monte Carlo simulation

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Authors: Shabnam Pashaei, Mohammadali Badamchizadeh

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This paper presents a new fractional-order terminal sliding mode control for synchronization of two different fractional-order chaotic systems with uncertainty and external disturbances. A fractional-order integral type nonlinear switching surface is presented. Then, using the Lyapunov stability theory and sliding mode theory, a fractional-order control law is designed to synchronize two different fractional-order chaotic systems. Finally, a simulation example is presented to illustrate the performance and applicability of the proposed method. Based on numerical results, the proposed controller ensures that the states of the controlled fractional-order chaotic response system are asymptotically synchronized with the states of the drive system.

Keywords: terminal sliding mode control, fractional-order calculus, chaotic systems, synchronization

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Authors: Somveer Singh, Vineet Kumar Singh

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We present a new model based on viscoelasticity for the Non-Newtonian fluids.We use a matrix formulated algorithm to approximate solutions of a class of partial integro-differential equations with the given initial and boundary conditions. Some numerical results are presented to simplify application of operational matrix formulation and reduce the computational cost. Convergence analysis, error estimation and numerical stability of the method are also investigated. Finally, some test examples are given to demonstrate accuracy and efficiency of the proposed method.

Keywords: Legendre Wavelets, operational matrices, partial integro-differential equation, viscoelasticity

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Authors: Malika Ourabia

Abstract:

A new and efficient method is presented for the analysis of arbitrarily shaped discontinuities. The discontinuities is characterized using a hybrid spectral/numerical technique. This structure presents an arbitrary number of ports, each one with different orientation and dimensions. This article presents a hybrid method based on multimode contour integral and mode matching techniques. The process is based on segmentation and dividing the structure into key building blocks. We use the multimode contour integral method to analyze the blocks including irregular shape discontinuities. Finally, the multimode scattering matrix of the whole structure can be found by cascading the blocks. Therefore, the new method is suitable for analysis of a wide range of waveguide problems. Therefore, the present approach can be applied easily to the analysis of any multiport junctions and cascade blocks. The accuracy of the method is validated comparing with results for several complex problems found in the literature. CPU times are also included to show the efficiency of the new method proposed.

Keywords: segmentation, s parameters, simulation, optimization

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