Search results for: Numerical field computation

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

Abstract:

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

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

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Authors: Takemitsu Hasegawa, Yohsuke Hosoda

Abstract:

Computations with higher than the IEEE 754 standard double-precision (about 16 significant digits) are required recently. Although there are available software routines in Fortran and C for high-precision computation, users are required to implement such routines in their own computers with detailed knowledges about them. We have constructed an user-friendly online system for octupleprecision computation. In our Web system users with no knowledges about high-precision computation can easily perform octupleprecision computations, by choosing mathematical functions with argument(s) inputted, by writing simple mathematical expression(s) or by uploading C program(s). In this paper we enhance the Web system above by adding the facility of uploading Fortran programs, which have been widely used in scientific computing. To this end we construct converter routines in two stages.

Keywords: Fortran, numerical computation, octuple-precision, Web.

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Authors: Hans H. Diel

Abstract:

This paper describes a computer model of Quantum Field Theory (QFT), referred to in this paper as QTModel. After specifying the initial configuration for a QFT process (e.g. scattering) the model generates the possible applicable processes in terms of Feynman diagrams, the equations for the scattering matrix, and evaluates probability amplitudes for the scattering matrix and cross sections. The computations of probability amplitudes are performed numerically. The equations generated by QTModel are provided for demonstration purposes only. They are not directly used as the base for the computations of probability amplitudes. The computer model supports two modes for the computation of the probability amplitudes: (1) computation according to standard QFT, and (2) computation according to a proposed functional interpretation of quantum theory.

Keywords: Computational Modeling, Simulation of Quantum Theory, Quantum Field Theory, Quantum Electrodynamics

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Authors: Wang Wen-long, Li Hua, Pan Sha

Abstract:

Eight difference schemes and five limiters are applied to numerical computation of Riemann problem. The resolution of discontinuities of each scheme produced is compared. Numerical dissipation and its estimation are discussed. The result shows that the numerical dissipation of each scheme is vital to improve scheme-s accuracy and stability. MUSCL methodology is an effective approach to increase computational efficiency and resolution. Limiter should be selected appropriately by balancing compressive and diffusive performance.

Keywords: Scheme; Limiter, Numerical simulation, Riemannproblem.

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Authors: Jayadevan R., Jayant V. Kulkarni, Suresh N. Mali, Hemant K. Abhyankar

Abstract:

An important step in studying the statistics of fingerprint minutia features is to reliably extract minutia features from the fingerprint images. A new reliable method of computation for minutiae feature extraction from fingerprint images is presented. A fingerprint image is treated as a textured image. An orientation flow field of the ridges is computed for the fingerprint image. To accurately locate ridges, a new ridge orientation based computation method is proposed. After ridge segmentation a new method of computation is proposed for smoothing the ridges. The ridge skeleton image is obtained and then smoothed using morphological operators to detect the features. A post processing stage eliminates a large number of false features from the detected set of minutiae features. The detected features are observed to be reliable and accurate.

Keywords: Minutia, orientation field, ridge segmentation, textured image.

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Authors: Tang Wei, Yang Xiaofeng, Gui Yewei, Du Yanxia

Abstract:

Complex lifting entry was selected for precise landing performance during the Mars Science Laboratory entry. This study aims to develop the three-dimensional numerical method for precise computation and the surface panel method for rapid engineering prediction. Detailed flow field analysis for Mars exploration mission was performed by carrying on a series of fully three-dimensional Navier-Stokes computations. The static aerodynamic performance was then discussed, including the surface pressure, lift and drag coefficient, lift-to-drag ratio with the numerical and engineering method. Computation results shown that the shock layer is thin because of lower effective specific heat ratio, and that calculated results from both methods agree well with each other, and is consistent with the reference data. Aerodynamic performance analysis shows that CG location determines trim characteristics and pitch stability, and certain radially and axially shift of the CG location can alter the capsule lifting entry performance, which is of vital significance for the aerodynamic configuration design and inner instrument layout of the Mars entry capsule.

Keywords: Mars entry capsule, static aerodynamics, computational fluid dynamics, hypersonic.

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Authors: S.S. Razavipour, M. Jahangiri, H. Sadeghipoor

Abstract:

In this paper, the computation of the electrical field distribution around AC high-voltage lines is demonstrated. The advantages and disadvantages of two different methods are described to evaluate the electrical field quantity. The first method is a seminumerical method using the laws of electrostatic techniques to simulate the two-dimensional electric field under the high-voltage overhead line. The second method which will be discussed is the finite element method (FEM) using specific boundary conditions to compute the two- dimensional electric field distributions in an efficient way.

Keywords: Electrical field, unloaded transmission lines, finite element method, electrostatic images technique.

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

Abstract:

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

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

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Authors: H. Aminfar, M. Mohammadpourfard, K. Khajeh

Abstract:

This paper has focused on the most important parameters in the LSC uptake; inlet Re number and Sc number in the presence of non-uniform magnetic field. The magnetic field is arising from the thin wire with electric current placed vertically to the arterial blood vessel. According to the results of this study, applying magnetic field can be a treatment for atherosclerosis by reducing LSC along the vessel wall. Homogeneous porous layer as a arterial wall has been regarded. Blood flow has been considered laminar and incompressible containing Ferro fluid (blood and 4 % vol. Fe₃O₄) under steady state conditions. Numerical solution of governing equations was obtained by using the single-phase model and control volume technique for flow field.

Keywords: LDL Surface Concentration (LSC), Magnetic field, Computational fluid dynamics, Porous wall.

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Authors: Theddeus T. Akano, Omotayo A. Fakinlede

Abstract:

The modelling of physical phenomena, such as the earth’s free oscillations, the vibration of strings, the interaction of atomic particles, or the steady state flow in a bar give rise to Sturm- Liouville (SL) eigenvalue problems. The boundary applications of some systems like the convection-diffusion equation, electromagnetic and heat transfer problems requires the combination of Dirichlet and Neumann boundary conditions. Hence, the incorporation of Robin boundary condition in the analyses of Sturm-Liouville problem. This paper deals with the computation of the eigenvalues and eigenfunction of generalized Sturm-Liouville problems with Robin boundary condition using the finite element method. Numerical solution of classical Sturm–Liouville problem is presented. The results show an agreement with the exact solution. High results precision is achieved with higher number of elements.

Keywords: Sturm-Liouville problem, Robin boundary condition, finite element method, eigenvalue problems.

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Authors: T. Benmiloud, A. Omari

Abstract:

This paper presents a new technique of compensation of the effect of variation parameters in the direct field oriented control of induction motor. The proposed method uses an adaptive tuning of the value of synchronous speed to obtain the robustness for the field oriented control. We show that this adaptive tuning allows having robustness for direct field oriented control to changes in rotor resistance, load torque and rotational speed. The effectiveness of the proposed control scheme is verified by numerical simulations. The numerical validation results of the proposed scheme have presented good performances compared to the usual direct-field oriented control.

Keywords: Induction motor, direct field-oriented control, compensation of variation parameters, fuzzy logic controller.

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Authors: Nobuhiko Hishinuma, Jun Igari, Rentaro Yoshioka

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When programming in languages such as C, Java, etc., it is difficult to reconstruct the programmer's ideas only from the program code. This occurs mainly because, much of the programmer's ideas behind the implementation are not recorded in the code during implementation. For example, physical aspects of computation such as spatial structures, activities, and meaning of variables are not required as instructions to the computer and are often excluded. This makes the future reconstruction of the original ideas difficult. AIDA, which is a multimedia programming language based on the cyberFilm model, can solve these problems allowing to describe ideas behind programs using advanced annotation methods as a natural extension to programming. In this paper, a development environment that implements the AIDA language is presented with a focus on the annotation methods. In particular, an actual scientific numerical computation code is created and the effects of the annotation methods are analyzed.

Keywords: cyberFilm, development environment, knowledge engineering, multimedia programming language

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Authors: Wang Xingbo

Abstract:

Computation of determinant in the form |I-X| is primary and fundamental because it can help to compute many other determinants. This article puts forward a time-reducible approach to compute determinant |I-X|. The approach is derived from the Newton’s identity and its time complexity is no more than that to compute the eigenvalues of the square matrix X. Mathematical deductions and numerical example are presented in detail for the approach. By comparison with classical approaches the new approach is proved to be superior to the classical ones and it can naturally reduce the computational time with the improvement of efficiency to compute eigenvalues of the square matrix.

Keywords: Algorithm, determinant, computation, eigenvalue, time complexity.

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Authors: Yao Jie, Yeo Khoon Seng

Abstract:

In recent decades, flapping wing aerodynamics has attracted great interest. Understanding the physics of biological flyers such as birds and insects can help improve the performance of micro air vehicles. The present research focuses on the aerodynamics of insect-like flapping wing flight with the approach of numerical computation. Insect model of hawkmoth is adopted in the numerical study with rigid wing assumption currently. The numerical model integrates the computational fluid dynamics of the flow and active control of wing kinematics to achieve stable flight. The computation grid is a hybrid consisting of background Cartesian nodes and clouds of mesh-free grids around immersed boundaries. The generalized finite difference method is used in conjunction with single value decomposition (SVD-GFD) in computational fluid dynamics solver to study the dynamics of a free hovering hummingbird hawkmoth. The longitudinal dynamics of the hovering flight is governed by three control parameters, i.e., wing plane angle, mean positional angle and wing beating frequency. In present work, a PID controller works out the appropriate control parameters with the insect motion as input. The controller is adjusted to acquire desired maneuvering of the insect flight. The numerical scheme in present study is proven to be accurate and stable to simulate the flight of the hummingbird hawkmoth, which has relatively high Reynolds number. The PID controller is responsive to provide feedback to the wing kinematics during the hovering flight. The simulated hovering flight agrees well with the real insect flight. The present numerical study offers a promising route to investigate the free flight aerodynamics of insects, which could overcome some of the limitations of experiments.

Keywords: Aerodynamics, flight control, computational fluid dynamics, flapping-wing flight.

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Authors: A. M. Pashaev, R. A. Sadihov, A. S. Samedov, C. Ardil

Abstract:

A mathematical model and a numerical method for computing the temperature field of the profile part of convectionally cooled blades are developed. The theoretical substantiation of the method is proved by corresponding theorems. To this end, convergent quadrature processes were developed and error estimates were obtained in terms of the Zygmund continuity moduli. The boundary conditions for heat exchange are determined from the solution of the corresponding integral equations and empirical relations. The reliability of the developed methods is confirmed by calculation and experimental studies of the thermohydraulic characteristics of the nozzle apparatus of the first stage of the gas turbine.

Keywords: Aviation gas turbine, temperature field, cooled blades, numerical modeling.

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Authors: Jan Flusser

Abstract:

This paper aims to present a survey of object recognition/classification methods based on image moments. We review various types of moments (geometric moments, complex moments) and moment-based invariants with respect to various image degradations and distortions (rotation, scaling, affine transform, image blurring, etc.) which can be used as shape descriptors for classification. We explain a general theory how to construct these invariants and show also a few of them in explicit forms. We review efficient numerical algorithms that can be used for moment computation and demonstrate practical examples of using moment invariants in real applications.

Keywords: Object recognition, degraded images, moments, moment invariants, geometric invariants, invariants to convolution, moment computation.

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Authors: Syed Manzoor Qasim, Shuja Abbasi, Saleh Alshebeili, Bandar Almashary, Ateeq Ahmad Khan

Abstract:

Higher-order Statistics (HOS), also known as cumulants, cross moments and their frequency domain counterparts, known as poly spectra have emerged as a powerful signal processing tool for the synthesis and analysis of signals and systems. Algorithms used for the computation of cross moments are computationally intensive and require high computational speed for real-time applications. For efficiency and high speed, it is often advantageous to realize computation intensive algorithms in hardware. A promising solution that combines high flexibility together with the speed of a traditional hardware is Field Programmable Gate Array (FPGA). In this paper, we present FPGA-based parallel architecture for the computation of third-order cross moments. The proposed design is coded in Very High Speed Integrated Circuit (VHSIC) Hardware Description Language (VHDL) and functionally verified by implementing it on Xilinx Spartan-3 XC3S2000FG900-4 FPGA. Implementation results are presented and it shows that the proposed design can operate at a maximum frequency of 86.618 MHz.

Keywords: Cross moments, Cumulants, FPGA, Hardware Implementation.

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Authors: Aditya Khanna, Andrei Kotousov

Abstract:

A novel method is presented for obtaining the stress field induced by an edge dislocation in a multilayered composite. To demonstrate the applications of the obtained solution, we consider the problem of an interfacial crack in a periodically layered bimaterial medium. The crack is modelled as a continuous distribution of edge dislocations and the Distributed Dislocation Technique (DDT) is utilized to obtain numerical results for the energy release rate (ERR). The numerical implementation of the dislocation solution in MATLAB is also provided.

Keywords: Distributed dislocation technique, Edge dislocation, Elastic field, Interfacial crack, Multi-layered composite.

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Authors: U. Narumitbowonkul, P. Keangin, P. Rattanadecho

Abstract:

The characteristics of temperature distribution and electric field in a natural rubber glove (NRG) using microwave energy during microwave heating process are investigated numerically and experimentally. A three-dimensional model of NRG and microwave oven are considered in this work. The influences of position, heating time and rotation angle of NRG on temperature distribution and electric field are presented in details. The coupled equations of electromagnetic wave propagation and heat transfer are solved using the finite element method (FEM). The numerical model is validated with an experimental study at a frequency of 2.45 GHz. The results show that the numerical results closely match the experimental results. Furthermore, it is found that the temperature distribution and electric field increases with increasing heating time. The hot spot zone appears in NRG at the tip of middle finger while the maximum temperature occurs in case of rotation angle of NRG = 60 degree. This investigation provides the essential aspects for a fundamental understanding of heat transport of NRG using microwave energy in industry.

Keywords: Electric field, Finite element method, Microwave energy, Natural rubber glove.

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Authors: Liu Xuedong , Liu Zhiyan

Abstract:

When the crisscross baffles and logarithmic spiral baffles are placed on the bottom of the stirred tank with elliptic bottom, using CFD software FLUENT simulates the velocity field of the stirred tank with elliptic bottom and bottom baffles. Compare the velocity field of stirred tank with bottom crisscross baffle to the velocity field of stirred tank without bottom baffle and analysis the flow pattern on the same axis-section and different cross-sections. The sizes of the axial and radial velocity are compared respectively when the stirred tank with bottom crisscross baffles, bottom logarithmic spiral baffles and without bottom baffle. At the same time, the numerical calculations of mixing power are compared when the stirred tank with bottom crisscross baffles and bottom logarithmic spiral baffles. Research shows that bottom crisscross baffles and logarithmic spiral baffles have a great impact on flow pattern within the reactor and improve the mixing effect better than without baffle. It also has shown that bottom logarithmic spiral baffles has lower power consumption than bottom crisscross baffles.

Keywords: Bottom baffle, Flow field, Numerical simulation, Stirred tank.

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Authors: M. Raciti Castelli, P. Cioppa, E. Benini

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This paper presents a CFD analysis of the flow around a 30° inclined flat plate of infinite span. Numerical predictions have been compared to experimental measurements, in order to assess the potential of the finite volume code of determining the aerodynamic forces acting on a flat plate invested by a fluid stream of infinite extent. Several turbulence models and spatial node distributions have been tested and flow field characteristics in the neighborhood of the flat plate have been numerically investigated, allowing the development of a preliminary procedure to be used as guidance in selecting the appropriate grid configuration and the corresponding turbulence model for the prediction of the flow field over a twodimensional inclined plate.

Keywords: CFD, lift, drag, flat plate

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Authors: Zuwairie Ibrahim, Yusei Tsuboi, Osamu Ono, Marzuki Khalid

Abstract:

Deoxyribonucleic Acid or DNA computing has emerged as an interdisciplinary field that draws together chemistry, molecular biology, computer science and mathematics. Thus, in this paper, the possibility of DNA-based computing to solve an absolute 1-center problem by molecular manipulations is presented. This is truly the first attempt to solve such a problem by DNA-based computing approach. Since, part of the procedures involve with shortest path computation, research works on DNA computing for shortest path Traveling Salesman Problem, in short, TSP are reviewed. These approaches are studied and only the appropriate one is adapted in designing the computation procedures. This DNA-based computation is designed in such a way that every path is encoded by oligonucleotides and the path-s length is directly proportional to the length of oligonucleotides. Using these properties, gel electrophoresis is performed in order to separate the respective DNA molecules according to their length. One expectation arise from this paper is that it is possible to verify the instance absolute 1-center problem using DNA computing by laboratory experiments.

Keywords: DNA computing, operation research, 1-center problem.

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Authors: Alireza Rezaei, Fatemeh Baharifard, Kourosh Parand

Abstract:

In this paper we improve the quasilinearization method by barycentric Lagrange interpolation because of its numerical stability and computation speed to achieve a stable semi analytical solution. Then we applied the improved method for solving the Fin problem which is a nonlinear equation that occurs in the heat transferring. In the quasilinearization approach the nonlinear differential equation is treated by approximating the nonlinear terms by a sequence of linear expressions. The modified QLM is iterative but not perturbative and gives stable semi analytical solutions to nonlinear problems without depending on the existence of a smallness parameter. Comparison with some numerical solutions shows that the present solution is applicable.

Keywords: Quasilinearization method, Barycentric lagrange interpolation, nonlinear ODE, fin problem, heat transfer.

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Authors: M. Raciti Castelli, G. Grandi, E. Benini

Abstract:

This paper presents a study of laminar to turbulent transition on a profile specifically designed for wind turbine blades, the DU91-W2-250, which belongs to a class of wind turbine dedicated airfoils, developed by Delft University of Technology. A comparison between the experimental behavior of the airfoil studied at Delft wind tunnel and the numerical predictions of the commercial CFD solver ANSYS FLUENT® has been performed. The prediction capabilities of the Spalart-Allmaras turbulence model and of the γ-θ Transitional model have been tested. A sensitivity analysis of the numerical results to the spatial domain discretization has also been performed using four different computational grids, which have been created using the mesher GAMBIT®. The comparison between experimental measurements and CFD results have allowed to determine the importance of the numerical prediction of the laminar to turbulent transition, in order not to overestimate airfoil friction drag due to a fully turbulent-regime flow computation.

Keywords: CFD, wind turbine, DU91-W2-250, laminar to turbulent transition.

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Authors: Marco Raciti Castelli, Paolo Cioppa, Ernesto Benini

Abstract:

This paper presents a CFD analysis of the flow field around a thin flat plate of infinite span inclined at 90° to a fluid stream of infinite extent. Numerical predictions have been compared to experimental measurements, in order to assess the potential of the finite volume code of determining the aerodynamic forces acting on a bluff body invested by a fluid stream of infinite extent. Several turbulence models and spatial node distributions have been tested. Flow field characteristics in the neighborhood of the flat plate have been investigated, allowing the development of a preliminary procedure to be used as guidance in selecting the appropriate grid configuration and the corresponding turbulence model for the prediction of the flow field over a two-dimensional vertical flat plate.

Keywords: CFD, vertical flat plate, aerodynamic force

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Authors: M. Shahrokhi, F. Rostami, M.A. Md Said, S. Syafalni

Abstract:

It is essential to have a uniform and calm flow field for a settling tank to have high performance. In general, the recirculation zones always occurred in sedimentation tanks. The presence of these regions may have different effects. The nonuniformity of the velocity field, the short-circuiting at the surface and the motion of the jet at the bed of the tank that occurs because of the recirculation in the sedimentation layer, are affected by the geometry of the tank. There are some ways to decrease the size of these dead zones, which would increase the performance. One of the ways is to use a suitable baffle configuration. In this study, the presence of baffle with different position has been investigated by a finite volume method, with VOF (Volume of Fluid) model. Besides, the k-ε turbulence model is used in the numerical calculations. The results indicate that the best position of the baffle is obtained when the volume of the recirculation region is minimized or is divided to smaller part and the flow field trend to be uniform in the settling zone.

Keywords: Sedimentation tanks, Baffle, Numerical Modeling, VOF, Circulation Zone

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Authors: Chun Wen, Tingzhu Huang

Abstract:

We present a new numerical method for the computation of the steady-state solution of Markov chains. Theoretical analyses show that the proposed method, with a contraction factor α, converges to the one-dimensional null space of singular linear systems of the form Ax = 0. Numerical experiments are used to illustrate the effectiveness of the proposed method, with applications to a class of interesting models in the domain of tandem queueing networks.

Keywords: Markov chains, tandem queueing networks, convergence, effectiveness.

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Authors: A. Haddad, H. Kbab

Abstract:

A supersonic expansion cannot be achieved within a convergent-divergent nozzle if the flow velocity does not reach that of the sound at the throat. The computation of the flow field characteristics at the throat is thus essential to the nozzle developed thrust value and therefore to the aircraft or rocket it propels. Several approaches were developed in order to describe the transonic expansion, which takes place through the throat of a De-Laval convergent-divergent nozzle. They all allow reaching good results but showing a major shortcoming represented by their inability to describe the transonic flow field for nozzles having a small throat radius. The approach initially developed by Kliegel & Levine uses the velocity series development in terms of the normalized throat radius added to unity instead of solely the normalized throat radius or the traditional small disturbances theory approach. The present investigation carries out the application of these three approaches for different throat radiuses of curvature. The method using the normalized throat radius added to unity shows better results when applied to geometries integrating small throat radiuses.

Keywords: De-Laval nozzles, transonic calculations, transonic flow, supersonic nozzle.

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Authors: Ying Shang, Chencheng Wang

Abstract:

The wind field is the main driving factor for the spread of forest fires. For the simulation results of forest fire spread to be more accurate, it is necessary to obtain more detailed wind field data. Therefore, this paper studied the mountainous fine wind field simulation method coupled with WRF (Weather Research and Forecasting Model) and CFD (Computational Fluid Dynamics) to realize the numerical simulation of the wind field in a mountainous area with a scale of 30 m and a small measurement error. Local topographical changes have an important impact on the wind field. Based on the Rothermel fire spread model, a forest fire in Idaho in the western United States was simulated. The historical data proved that the simulation results had a good accuracy. They showed that the fire spread rate will decrease rapidly with time and then reach a steady state. After reaching a steady state, the fire spread growth area will not only be affected by the slope, but will also show a significant quadratic linear positive correlation with the wind speed change.

Keywords: Wind field, numerical simulation, forest fire spread, fire behavior model, complex terrain.

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Authors: Rafal Michalski, Jakub Zygadlo

Abstract:

We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.

Keywords: Atomic matters, crystal electric field, spin-orbit coupling, localized states, electron subshell, fine electronic structure.

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