Search results for: safety-stock calculation.

Authors: Seyed Hamid Mirmohammad Sadeghi, Raffaella Sesana, Daniela Maffiodo

Abstract:

This study presents a procedure for friction calculation of column electric power steering (C-EPS) system which affects handling and comfort in driving. The friction losses estimation is obtained from experimental tests and mathematical calculation. Parts in C-EPS mainly involved in friction losses are bearings and worm gear. In the theoretical approach, the gear geometry and Hertz law were employed to measure the normal load and the sliding velocity and contact areas from the worm gears driving conditions. The viscous friction generated in the worm gear was obtained with a theoretical approach and the result was applied to model the friction in the steering system. Finally, by viscous friction coefficient and Coulomb friction coefficient, values of friction in worm gear were calculated. According to the Bearing Company and the characteristics of each bearing, the friction torques due to load and due to speed were calculated. A MATLAB Simulink model for calculating the friction in bearings and worm gear in C-EPS were done and the total friction value was estimated.

Keywords: Friction, worm gear, column electric power steering system, Simulink, bearing, electric power steering, EPS.

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Authors: G. Chakhaia, S. Gogilava, L. Tsulukidze, Z. Laoshvili, I. Khubulava, S. Bosikashvili, T. Gugushvili

Abstract:

The work reviewed and evaluated various genesis debris flow phenomena recently formatted in the Mletiskhevi, accordingly it revealed necessity of treatment modern debris flow against measures. Based on this, it is proposed the debris flow against truncated semi cone shape construction, which elements are contained in the car’s secondary tires. its constituent elements (sections), due to the possibilities of amortization and geometric shapes is effective and sustainable towards debris flow hitting force. The construction is economical, because after crossing the debris flows in the river bed, the riverbed is not cleanable, also the elements of the building are resource saving. For assessment of influence of cohesive debris flow at the construction and evaluation of the construction effectiveness have been implemented calculation in the specific assumptions with approved methodology. According to the calculation, it was established that after passing debris flow in the debris flow construction (in 3 row case) its hitting force reduces 3 times, that causes reduce of debris flow speed and kinetic energy, as well as sedimentation on a certain section of water drain in the lower part of the construction. Based on the analysis and report on the debris flow against construction, it can be said that construction is effective, inexpensive, technically relatively easy-to-reach measure, that’s why its implementation is prospective.

Keywords: Construction, debris flow, sections, theoretical calculation.

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Authors: Fatima Zohra Mahi, Luca Varani

Abstract:

We present an analytical model for the calculation of the sensitivity, the spectral current noise and the detective parameter for an optically illuminated In0.53Ga0.47As n+nn+ diode. The photocurrent due to the excess carrier is obtained by solving the continuity equation. Moreover, the current noise level is evaluated at room temperature and under a constant voltage applied between the diode terminals. The analytical calculation of the current noise in the n+nn+ structure is developed by considering the free carries fluctuations. The responsivity and the detection parameter are discussed as functions of the doping concentrations and the emitter layer thickness in one-dimensional homogeneous n+nn+ structure.

Keywords: Responsivity, detection parameter, photo-detectors, continuity equation, current noise.

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Authors: Adel Bettayeb, Robert Kaczmarek, Jean-Claude Vannier

Abstract:

In this paper, we analyze the rotor eddy currents losses provoqued by the stator slot harmonics developed in the permanent magnets or pole pieces of synchronous machines. An analytical approach is presented to evaluate the effect of slot ripples on rotor field and losses calculation. This analysis is then tested on a model by 2D/3D finite element (FE) calculation. The results show a good agreement on loss calculations when skin effect is negligible and the magnet is considered.

Keywords: Analytical modeling, Eddy-currents, Finite-elementmethods, Power losses, Slot harmonics effect.

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Authors: Marco Morini, Nicolandrea Calabrese, Dario Chello

Abstract:

Despite the international commitment of Algeria towards the development of energy efficiency and renewable energy in the country, the internal energy demand has been continuously growing during the last decade due to the substantial increase of population and of living conditions, which in turn has led to an unprecedented expansion of the residential building sector. The RTB (Thermal Building Regulation) is the technical document that establishes the calculation framework for the thermal performance of buildings in Algeria, setting up minimum obligatory targets for the thermal performance of new buildings. An update of this regulation is due in the coming years and this paper discusses some proposals in this regard, with the aim to improve the energy efficiency of the building sector, particularly with regard to social housing. In particular, it proposes a methodology for drafting an energy performance label of new Algerian residential buildings, moving from the results of the thermal compliance verification and sizing of technical systems as defined in the RTB. Such an energy performance label – whose calculation method is briefly described in the paper – aims to raise citizens' awareness of the benefits of energy efficiency. It can represent the first step in a process of integrating technical installations into the calculation of the energy performance of buildings in Algeria.

Keywords: building, energy certification, energy efficiency, social housing, international cooperation, Mediterranean Region

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Authors: Praloy Kumar Biswas, Prof. Dipanwita Roy Chowdhury

Abstract:

Grobner basis calculation forms a key part of computational commutative algebra and many other areas. One important ramification of the theory of Grobner basis provides a means to solve a system of non-linear equations. This is why it has become very important in the areas where the solution of non-linear equations is needed, for instance in algebraic cryptanalysis and coding theory. This paper explores on a parallel-distributed implementation for Grobner basis calculation over GF(2). For doing so Buchberger algorithm is used. OpenMP and MPI-C language constructs have been used to implement the scheme. Some relevant results have been furnished to compare the performances between the standalone and hybrid (parallel-distributed) implementation.

Keywords: Grobner basis, Buchberger Algorithm, Distributed- Parallel Computation, OpenMP, MPI.

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Authors: Rabah Diabi

Abstract:

As known, the guard wires of overhead high voltage are usually grounded through the grounding systems of support and of the terminal stations. They do affect the zero sequence impedance value of the line, Z0, which is generally, calculated assuming that the wires guard are at ground potential. In this way it is not considered the effect of the resistances of earth of supports and stations. In this work is formed a formula for the calculation of Z0 which takes account of said resistances. Is also proposed a method of calculating the impedance zero sequence overhead lines in which, in various sections or spans, the guard wires are connected to the supports, or isolated from them, or are absent. Parametric analysis is given for lines 220 kV and 400 kV, which shows the extent of the errors made with traditional methods of calculation.

Keywords: Overhead line, power system, zero sequence, wire guard, grounding.

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Authors: M. Harir, A. Bendiabdellah, A. Chaouch, N. Benouzza

Abstract:

This paper deals with the modelling and simulation of the squirrel cage induction motor by taking into account all space harmonic components as well as the introduction of the bars skew in the calculation of the linear evolution of the magnetomotive force (MMF) between the slots extremities. The model used is based on multiple coupled circuits and the modified winding function approach (MWFA). The effect of skewing is included in the calculation of motors inductances with an axial asymmetry in the rotor. The simulation results in both time and spectral domains show the effectiveness and merits of the model and the error that may be caused if the skew of the bars are neglected.

Keywords: Modelling, MWFA, Skew effect, Squirrel cage induction motor, Spectral domain.

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Authors: Phang Chang, Phang Piau

Abstract:

Wavelet transform or wavelet analysis is a recently developed mathematical tool in applied mathematics. In numerical analysis, wavelets also serve as a Galerkin basis to solve partial differential equations. Haar transform or Haar wavelet transform has been used as a simplest and earliest example for orthonormal wavelet transform. Since its popularity in wavelet analysis, there are several definitions and various generalizations or algorithms for calculating Haar transform. Fast Haar transform, FHT, is one of the algorithms which can reduce the tedious calculation works in Haar transform. In this paper, we present a modified fast and exact algorithm for FHT, namely Modified Fast Haar Transform, MFHT. The algorithm or procedure proposed allows certain calculation in the process decomposition be ignored without affecting the results.

Keywords: Fast Haar Transform, Haar transform, Wavelet analysis.

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Authors: S. Burgalat, L. Teilhac, A. Brand, E. Chastel, M. Jumeline

Abstract:

The paper presents actual benefits and drawbacks of a multidirectional autonomous hovercraft conceived with limited resources and designed for indoor exploration. Recent developments in the field have led to the apparition of very powerful automotive systems capable of very high calculation and exploration in complex unknown environments. They usually propose very complex algorithms, high precision/cost sensors and sometimes have heavy calculation consumption with complex data fusion. These systems are usually powerful but have a certain price, and the benefits may not be worth the cost, especially considering their hardware limitations and their power consumption. The present approach is to build a compromise between cost, power consumption and results preciseness.

Keywords: Hovercraft, Indoor Exploration, Autonomous, Multidirectional, Wireless Control.

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Authors: Cuneyt Yucelbas, Seral Ozsen, Sule Yucelbas, Gulay Tezel

Abstract:

Due to the fact that there exist only a small number of complex systems in artificial immune system (AIS) that work out nonlinear problems, nonlinear AIS approaches, among the well-known solution techniques, need to be developed. Gaussian function is usually used as similarity estimation in classification problems and pattern recognition. In this study, diagnosis of breast cancer, the second type of the most widespread cancer in women, was performed with different distance calculation functions that euclidean, gaussian and gaussian-euclidean hybrid function in the clonal selection model of classical AIS on Wisconsin Breast Cancer Dataset (WBCD), which was taken from the University of California, Irvine Machine-Learning Repository. We used 3-fold cross validation method to train and test the dataset. According to the results, the maximum test classification accuracy was reported as 97.35% by using of gaussian-euclidean hybrid function for fold-3. Also, mean of test classification accuracies for all of functions were obtained as 94.78%, 94.45% and 95.31% with use of euclidean, gaussian and gaussian-euclidean, respectively. With these results, gaussian-euclidean hybrid function seems to be a potential distance calculation method, and it may be considered as an alternative distance calculation method for hard nonlinear classification problems.

Keywords: Artificial Immune System, Breast Cancer Diagnosis, Euclidean Function, Gaussian Function.

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Authors: Junji Kaneko, Shigeyuki Haruyama, Ken Kaminishi, Tadayuki Kyoutani, Siti Ruhana Omar, Oke Oktavianty

Abstract:

This study is used as a definition method to the value and function in manufacturing sector. In concurrence of discussion about present condition of modeling method, until now definition of 1D-CAE is ambiguity and not conceptual. Across all the physic fields, those methods are defined with the formulation of differential algebraic equation which only applied time derivation and simulation. At the same time, we propose semi-acausal modeling concept and differential algebraic equation method as a newly modeling method which the efficiency has been verified through the comparison of numerical analysis result between the semi-acausal modeling calculation and FEM theory calculation.

Keywords: System Model, Physical Models, Empirical Models, Conservation Law, Differential Algebraic Equation, Object-Oriented.

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Authors: Martin Kendra, Jaroslav Mašek, Juraj Čamaj, Matej Babin

Abstract:

The railway transport is considered as a one of the most environmentally friendly mode of transport. With future prediction of increasing of freight transport there are lines facing problems with demanded capacity. Increase of the track capacity could be achieved by infrastructure constructive adjustments. The contribution shows how the travel time can be minimized and the track capacity increased by changing some of the basic infrastructure and operation parameters, for example, the minimal curve radius of the track, the number of tracks, or the usable track length at stations. Calculation of the necessary parameter changes is based on the fundamental physical laws applied to the train movement, and calculation of the occupation time is dependent on the changes of controlling the traffic between the stations.

Keywords: Curve radius, maximum curve speed, track mass capacity, reconstruction.

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Authors: Z. Jovanovic, Z. Masonicic, S. Dragutinovic, Z. Sakota

Abstract:

In this paper, a methodology for noise reduction of motor vehicles in use is presented. The methodology relies on synergic model of noise generation as a function of time. The arbitrary number of motor vehicle noise sources act in concert yielding the generation of the overall noise level of motor vehicle thereafter. The number of noise sources participating in the overall noise level of motor vehicle is subjected to the constraint of the calculation of the acoustic potential of each noise source under consideration. It is the prerequisite condition for the calculation of the acoustic potential of the whole vehicle. The recast form of pertinent set of equations describing the synergic model is laid down and solved by dint of Gauss method. The bunch of results emerged and some of them i.e. those ensuing from model application to MDD FAP Priboj motor vehicle in use are particularly elucidated.

Keywords: Noise abatement, MV noise sources, noise source identification, muffler.

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Authors: Y. Galerkin, K. Soldatova, A. Drozdov

Abstract:

The 6th version of Universal modeling method for centrifugal compressor stage calculation is described. Identification of the new mathematical model was made. As a result of identification the uniform set of empirical coefficients is received. The efficiency definition error is 0,86 % at a design point. The efficiency definition error at five flow rate points (except a point of the maximum flow rate) is 1,22 %. Several variants of the stage with 3D impellers designed by 6th version program and quasi threedimensional calculation programs were compared by their gas dynamic performances CFD (NUMECA FINE TURBO). Performance comparison demonstrated general principles of design validity and leads to some design recommendations.

Keywords: Compressor design, loss model, performance prediction, test data, model stages, flow rate coefficient, work coefficient.

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Authors: Ahmed M. Mansour, Ali M. El-Sawy, Ahmed T Sayed

Abstract:

Logarithms reduce products to sums and powers to products; they play an important role in signal processing, communication and information theory. They are primarily used for hardware calculations, handling multiplications, divisions, powers, and roots effectively. There are three commonly used bases for logarithms; the logarithm with base-10 is called the common logarithm, the natural logarithm with base-e and the binary logarithm with base-2. This paper demonstrates different methods of calculation for log2 showing the complexity of each and finds out the most accurate and efficient besides giving insights to their hardware design. We present a new method called Floor Shift for fast calculation of log2, and then we combine this algorithm with Taylor series to improve the accuracy of the output, we illustrate that by using two examples. We finally compare the algorithms and conclude with our remarks.

Keywords: Logarithms, log2, floor, iterative, CORDIC, Taylor series.

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Authors: Attila Vámosi, Tamás Mankovits, Dávid Huri, Imre Kocsis, Tamás Szabó

Abstract:

Non-linear FEM calculations are indispensable when important technical information like operating performance of a rubber component is desired. For example rubber bumpers built into air-spring structures may undergo large deformations under load, which in itself shows non-linear behavior. The changing contact range between the parts and the incompressibility of the rubber increases this non-linear behavior further. The material characterization of an elastomeric component is also a demanding engineering task. The shape optimization problem of rubber parts led to the study of FEM based calculation processes. This type of problems was posed and investigated by several authors. In this paper the time demand of certain calculation methods are studied and the possibilities of time reduction is presented.

Keywords: Rubber bumper, data acquisition, finite element analysis, support vector regression.

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Authors: N. Nacereddine, M. Tridi, S. S. Belaïfa, M. Zelmat

Abstract:

For the characterization of the weld defect region in the radiographic image, looking for features which are invariant regarding the geometrical transformations (rotation, translation and scaling) proves to be necessary because the same defect can be seen from several angles according to the orientation and the distance from the welded framework to the radiation source. Thus, panoply of geometrical attributes satisfying the above conditions is proposed and which result from the calculation of the geometrical parameters (surface, perimeter, etc.) on the one hand and the calculation of the different order moments, on the other hand. Because the large range in values of the raw features and taking into account other considerations imposed by some classifiers, the scaling of these values to lie between 0 and 1 is indispensable. The principal component analysis technique is used in order to reduce the number of the attribute variables in the aim to give better performance to the further defect classification.

Keywords: Geometric parameters, invariant attributes, principal component analysis, weld defect image.

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Authors: Buntara Sthenly Gan, Naohiro Kawada

Abstract:

A simple and easy algorithm is presented for a fast calculation of kernel functions which required in fluid simulations using the Smoothed Particle Hydrodynamic (SPH) method. Present proposed algorithm improves the Linked-list algorithm and adopts the Pair-Wise Interaction technique, which are widely used for evaluating kernel functions in fluid simulations using the SPH method. The algorithm is easy to be implemented without any complexities in programming. Some benchmark examples are used to show the simulation time saved by using the proposed algorithm. Parametric studies on the number of divisions for sub-domains, smoothing length and total amount of particles are conducted to show the effectiveness of the present technique. A compact formulation is proposed for practical usage.

Keywords: Technique, fluid simulation, smoothing particle hydrodynamic (SPH), particle interaction.

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Authors: Alexander Babin, Leonid Savin

Abstract:

In the present paper, increasing of energy efficiency of a thrust hybrid bearing with a central feeding chamber is considered. The mathematical model was developed to determine the pressure distribution and the reaction forces, based on the Reynolds equation and static characteristics’ equations. The boundary problem of pressure distribution calculation was solved using the method of finite differences. For various types of lubricants, geometry and operational characteristics, axial gaps can be determined, where the minimal friction coefficient is provided. The next part of the study considers the application of servovalves in order to maintain the desired position of the rotor. The report features the calculation results and the analysis of the influence of the operational and geometric parameters on the energy efficiency of mechatronic fluid-film bearings.

Keywords: Active bearings, energy efficiency, mathematical model, mechatronics, thrust multipad bearing.

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Authors: А. Pashayev, D. Askerov, R. Sadiqov, A. Samedov, C. Ardil

Abstract:

In contrast to existing methods which do not take into account multiconnectivity in a broad sense of this term, we develop mathematical models and highly effective combination (BIEM and FDM) numerical methods of calculation of stationary and quasistationary temperature field of a profile part of a blade with convective cooling (from the point of view of realization on PC). The theoretical substantiation of these methods is proved by appropriate theorems. For it, converging quadrature processes have been developed and the estimations of errors in the terms of A.Ziqmound continuity modules have been received. For visualization of profiles are used: the method of the least squares with automatic conjecture, device spline, smooth replenishment and neural nets. Boundary conditions of heat exchange are determined from the solution of the corresponding integral equations and empirical relationships. The reliability of designed methods is proved by calculation and experimental investigations heat and hydraulic characteristics of the gas turbine first stage nozzle blade.

Keywords: Modeling, Simulating, Gas Turbine, Cooled Blades.

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Authors: Hsiang-Wen Tang, Cheng-Ying Lo

Abstract:

In this study, the static behavior of super elliptical Winkler plate is analyzed by applying the double side approach method. The lack of information about super elliptical Winkler plates is the motivation of this study and we use the double side approach method to solve this problem because of its superior ability on efficiently treating problems with complex boundary shape. The double side approach method has the advantages of high accuracy, easy calculation procedure and less calculation load required. Most important of all, it can give the error bound of the approximate solution. The numerical results not only show that the double side approach method works well on this problem but also provide us the knowledge of static behavior of super elliptical Winkler plate in practical use.

Keywords: Super elliptical Winkler Plate, double side approach method, error bound.

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Authors: Tim Wollert, Fabian Behrendt

Abstract:

Value Stream Management (VSM) is a widely used methodology in the context of Lean Management for improving end-to-end material and information flows from a supplier to a customer from a company’s perspective. Whereas the design principles, e.g. Pull, value-adding, customer-orientation and further ones are still valid against the background of an increasing digitalized and dynamic environment, the methodology itself for mapping a value stream is characterized as time- and resource-intensive due to the high degree of manual activities. The digitalization of processes in the context of Industry 4.0 enables new opportunities to reduce these manual efforts and make the VSM approach more agile. The paper at hand aims at providing a modular data and calculation framework, utilizing the available business data, provided by information and communication technologies for automizing the value stream mapping process with focus on the manufacturing process.

Keywords: Industry 4.0, lean management 4.0, value stream management 4.0, value stream mapping.

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Authors: Aleš Florian, Lenka Ševelová, Jaroslav Žák

Abstract:

Formation of tensile cracks in concrete slabs of rigid pavement can be (among others) the initiation point of the other, more serious failures which can ultimately lead to complete degradation of the concrete slab and thus the whole pavement. Two measures can be used for reliability assessment of this phenomenon - the probability of failure and/or the reliability index. Different methods can be used for their calculation. The simple ones are called moment methods and simulation techniques. Two methods - FOSM Method and Simple Random Sampling Method - are verified and their comparison is performed. The influence of information about the probability distribution and the statistical parameters of input variables as well as of the limit state function on the calculated reliability index and failure probability are studied in three points on the lower surface of concrete slabs of the older type of rigid pavement formerly used in the Czech Republic.

Keywords: Failure, pavement, probability, reliability index, simulation, tensile crack.

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Authors: Huang Shengqin, Xiao Hong

Abstract:

LES with mixed subgrid-scale model has been used to simulate aerodynamic performance of hypersonic configuration. The simulation was conducted to replicate conditions and geometry of a model which has been previously tested. LES Model has been successful in predict pressure coefficient with the max error 1.5% besides afterbody. But in the high Mach number condition, it is poor in predict ability and product 12.5% error. The calculation error are mainly conducted by the distribution swirling. The fact of poor ability in the high Mach number and afterbody region indicated that the mixed subgrid-scale model should be improved in large eddied especially in hypersonic separate region. In the condition of attach and sideslip flight, the calculation results have waves. LES are successful in the prediction the pressure wave in hypersonic flow.

Keywords: Hypersonic, LES, mixed Subgrid-scale model, experiment.

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Authors: Ehsan Ghanaei, Feridun Esmaeilzadeh, Jamshid Fathi Kaljahi

Abstract:

In the previous multi-solid models,¤ò approach is used for the calculation of fugacity in the liquid phase. For the first time, in the proposed multi-solid thermodynamic model,γ approach has been used for calculation of fugacity in the liquid mixture. Therefore, some activity coefficient models have been studied that the results show that the predictive Wilson model is more appropriate than others. The results demonstrate γ approach using the predictive Wilson model is in more agreement with experimental data than the previous multi-solid models. Also, by this method, generates a new approach for presenting stability analysis in phase equilibrium calculations. Meanwhile, the run time in γ approach is less than the previous methods used ¤ò approach. The results of the new model present 0.75 AAD % (Average Absolute Deviation) from the experimental data which is less than the results error of the previous multi-solid models obviously.

Keywords: Multi-solid thermodynamic model, PredictiveWilson model, Wax formation.

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Authors: A. Pashayev, D. Askerov, R. Sadiqov, A. Samedov, C. Ardil

Abstract:

In contrast to existing methods which do not take into account multiconnectivity in a broad sense of this term, we develop mathematical models and highly effective combination (BIEM and FDM) numerical methods of calculation of stationary and quasi-stationary temperature field of a profile part of a blade with convective cooling (from the point of view of realization on PC). The theoretical substantiation of these methods is proved by appropriate theorems. For it, converging quadrature processes have been developed and the estimations of errors in the terms of A.Ziqmound continuity modules have been received. For visualization of profiles are used: the method of the least squares with automatic conjecture, device spline, smooth replenishment and neural nets. Boundary conditions of heat exchange are determined from the solution of the corresponding integral equations and empirical relationships. The reliability of designed methods is proved by calculation and experimental investigations heat and hydraulic characteristics of the gas turbine first stage nozzle blade.

Keywords: Gas turbine, cooled blade, nozzle blade, temperature field.

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Authors: Z. Pooranian, A. Barati, A. Movaghar

Abstract:

Wireless sensor networks include small nodes which have sensing ability; calculation and connection extend themselves everywhere soon. Such networks have source limitation on connection, calculation and energy consumption. So, since the nodes have limited energy in sensor networks, the optimized energy consumption in these networks is of more importance and has created many challenges. The previous works have shown that by organizing the network nodes in a number of clusters, the energy consumption could be reduced considerably. So the lifetime of the network would be increased. In this paper, we used the Queen-bee algorithm to create energy efficient clusters in wireless sensor networks. The Queen-bee (QB) is similar to nature in that the queen-bee plays a major role in reproduction process. The QB is simulated with J-sim simulator. The results of the simulation showed that the clustering by the QB algorithm decreases the energy consumption with regard to the other existing algorithms and increases the lifetime of the network.

Keywords: Queen-bee, sensor network, energy efficient, clustering.

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Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

Abstract:

Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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