Search results for: simultaneous approximation

Authors: Richard K. F. Lee, James M. Hill

Abstract:

In this paper, we summarize recent work of the authors on nanocomputing memory devices. We investigate two memory devices, each comprising a charged metallofullerene and carbon nanotubes. The first device involves two open nanotubes of the same radius that are joined by a centrally located nanotube of a smaller radius. A metallofullerene is then enclosed inside the structure. The second device also involves a etallofullerene that is located inside a closed carbon nanotube. Assuming the Lennard-Jones interaction energy and the continuum approximation, for both devices, the metallofullerene has two symmetrically placed equal minimum energy positions. On one side the metallofullerene represents the zero information state and by applying an external electrical field, it can overcome the energy barrier, and pass from one end of the tube to the other, where the metallofullerene then represents the one information state.

Keywords: Carbon nanotube, continuous approach, energy barrier, Lennard-Jones potential, metallofullerene, nanomemory device.

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Authors: Mohamed M. Mousa, Aidarkhan Kaltayev

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The equations governing the flow of an electrically conducting, incompressible viscous fluid over an infinite flat plate in the presence of a magnetic field are investigated using the homotopy perturbation method (HPM) with Padé approximants (PA) and 4th order Runge–Kutta method (4RKM). Approximate analytical and numerical solutions for the velocity field and heat transfer are obtained and compared with each other, showing excellent agreement. The effects of the magnetic parameter and Prandtl number on velocity field, shear stress, temperature and heat transfer are discussed as well.

Keywords: Electrically conducting elastico-viscous fluid, symmetry solution, Homotopy perturbation method, Padé approximation, 4th order Runge–Kutta, Maple

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Authors: Kechida Ahmed, Drai Redouane, Khelil Mohamed

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In this paper we present a new approach to detecting a flaw in T.O.F.D (Time Of Flight Diffraction) type ultrasonic image based on texture features. Texture is one of the most important features used in recognizing patterns in an image. The paper describes texture features based on 2D Gabor functions, i.e., Gaussian shaped band-pass filters, with dyadic treatment of the radial spatial frequency range and multiple orientations, which represent an appropriate choice for tasks requiring simultaneous measurement in both space and frequency domains. The most relevant features are used as input data on a Fuzzy c-mean clustering classifier. The classes that exist are only two: 'defects' or 'no defects'. The proposed approach is tested on the T.O.F.D image achieved at the laboratory and on the industrial field.

Keywords: 2D Gabor Functions, flaw detection, fuzzy c-mean clustering, non destructive testing, texture analysis, T.O.F.D Image (Time of Flight Diffraction).

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Authors: Laith Jaafer Habeeb

Abstract:

The present study is concerned with the free convective two dimensional flow and heat transfer, within the framework of Boussinesq approximation, in anisotropic fluid filled porous rectangular enclosure subjected to end-to-end temperature difference have been investigated using Lattice Boltzmann method fornon-Darcy flow model. Effects of the moving lid direction (top, bottom, left, and right wall moving in the negative and positive x&ydirections), number of moving walls (one or two opposite walls), the sliding wall velocity, and four different constant temperatures opposite walls cases (two surfaces are being insulated and the twoother surfaces areimposed to be at constant hot and cold temperature)have been conducted. The results obtained are discussed in terms of the Nusselt number, vectors, contours, and isotherms.

Keywords: Numerical simulation, lid-driven cavity flow, saturated porous medium, different velocity and heated walls.

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Authors: A. J. Nazari, S. Honma

Abstract:

This paper evaluates oil displacement by water in Hauterivian sandstone reservoir of Kashkari oil field in North of Afghanistan. The core samples of this oil field were taken out from well No-21^st, and the relative permeability and fractional flow are analyzed. Steady state flow laboratory experiments are performed to empirically obtain the fractional flow curves and relative permeability in different water saturation ratio. The relative permeability represents the simultaneous flow behavior in the reservoir. The fractional flow approach describes the individual phases as fractional of the total flow. The fractional flow curve interprets oil displacement by water, and from the tangent of fractional flow curve can find out the average saturation behind the water front flow saturation. Therefore, relative permeability and fractional flow curves are suitable for describing the displacement of oil by water in a petroleum reservoir. The effects of irreducible water saturation, residual oil saturation on the displaceable amount of oil are investigated through Buckley-Leveret analysis.

Keywords: Fractional flow, oil displacement, relative permeability, simultaneously flow.

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Authors: T. Chandrasekhar, K. Thangavel, E. N. Sathishkumar

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Microarrays are made it possible to simultaneously monitor the expression profiles of thousands of genes under various experimental conditions. It is used to identify the co-expressed genes in specific cells or tissues that are actively used to make proteins. This method is used to analysis the gene expression, an important task in bioinformatics research. Cluster analysis of gene expression data has proved to be a useful tool for identifying co-expressed genes, biologically relevant groupings of genes and samples. In this work K-Means algorithms has been applied for clustering of Gene Expression Data. Further, rough set based Quick reduct algorithm has been applied for each cluster in order to select the most similar genes having high correlation. Then the ACV measure is used to evaluate the refined clusters and classification is used to evaluate the proposed method. They could identify compact clusters with feature selection method used to genes are selected.

Keywords: Clustering, Feature selection, Gene expression data, Quick reduct.

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Authors: Robert Setekera, Luuk Tiemeijer, Ramses van der Toorn

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In this paper an extensive verification of the extraction method (published earlier) that consistently accounts for self-heating and Early effect to accurately extract both base and thermal resistance of bipolar junction transistors is presented. The method verification is demonstrated on advanced RF SiGe HBTs were the extracted results for the thermal resistance are compared with those from another published method that ignores the effect of Early effect on internal base-emitter voltage and the extracted results of the base resistance are compared with those determined from noise measurements. A self-consistency of our method in the extracted base resistance and thermal resistance using compact model simulation results is also carried out in order to study the level of accuracy of the method.

Keywords: Avalanche, Base resistance, Bipolar transistor, Compact modeling, Early voltage, Thermal resistance, Self-heating, parameter extraction.

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Authors: D. Adhikari, R. P. Koirala, B.P. Singh

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A self-association model has been used to understand the concentration dependence of free energy of mixing (GM), heat of mixing (HM), entropy of mixing (SM), activity (a) and microscopic structures, such as concentration fluctuation in long wavelength limit (Scc(0)) and Warren-Cowley short range order parameter ( 1 α )for Cu- Tl molten alloys at 1573K. A comparative study of surface tension of the alloys in the liquid state at that temperature has also been carried out theoretically as function of composition in the light of Butler-s model, Prasad-s model and quasi-chemical approach. Most of the computed thermodynamic properties have been found in agreement with the experimental values. The analysis reveals that the Cu-Tl molten alloys at 1573K represent a segregating system at all concentrations with moderate interaction. Surface tensions computed from different approaches have been found to be comparable to each other showing increment with the composition of copper.

Keywords: Concentration fluctuations, surface tension, thermodynamic properties, Quasi-chemical approximation.

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Authors: Paul O'Leary, Matthew Harker

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This paper presents unified theory for local (Savitzky- Golay) and global polynomial smoothing. The algebraic framework can represent any polynomial approximation and is seamless from low degree local, to high degree global approximations. The representation of the smoothing operator as a projection onto orthonormal basis functions enables the computation of: the covariance matrix for noise propagation through the filter; the noise gain and; the frequency response of the polynomial filters. A virtually perfect Gram polynomial basis is synthesized, whereby polynomials of degree d = 1000 can be synthesized without significant errors. The perfect basis ensures that the filters are strictly polynomial preserving. Given n points and a support length ls = 2m + 1 then the smoothing operator is strictly linear phase for the points xi, i = m+1. . . n-m. The method is demonstrated on geometric surfaces data lying on an invariant 2D lattice.

Keywords: Gram polynomials, Savitzky-Golay Smoothing, Discrete Polynomial Moments

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Authors: Hiba Basim Alwan, Ku Ruhana Ku-Mahamud

Abstract:

A direction for ACO is to optimize continuous and mixed (discrete and continuous) variables in solving problems with various types of data. Support Vector Machine (SVM), which originates from the statistical approach, is a present day classification technique. The main problems of SVM are selecting feature subset and tuning the parameters. Discretizing the continuous value of the parameters is the most common approach in tuning SVM parameters. This process will result in loss of information which affects the classification accuracy. This paper presents two algorithms that can simultaneously tune SVM parameters and select the feature subset. The first algorithm, ACO_R-SVM, will tune SVM parameters, while the second IACO_MV-R-SVM algorithm will simultaneously tune SVM parameters and select the feature subset. Three benchmark UCI datasets were used in the experiments to validate the performance of the proposed algorithms. The results show that the proposed algorithms have good performances as compared to other approaches.

Keywords: Continuous ant colony optimization, incremental continuous ant colony, simultaneous optimization, support vector machine.

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Authors: Mohammad Reza Ghasemi, Amin Ghorbani

Abstract:

The main goal of the present work is to decrease the computational burden for optimum design of steel frames with frequency constraints using a new type of neural networks called Wavelet Neural Network. It is contested to train a suitable neural network for frequency approximation work as the analysis program. The combination of wavelet theory and Neural Networks (NN) has lead to the development of wavelet neural networks. Wavelet neural networks are feed-forward networks using wavelet as activation function. Wavelets are mathematical functions within suitable inner parameters, which help them to approximate arbitrary functions. WNN was used to predict the frequency of the structures. In WNN a RAtional function with Second order Poles (RASP) wavelet was used as a transfer function. It is shown that the convergence speed was faster than other neural networks. Also comparisons of WNN with the embedded Artificial Neural Network (ANN) and with approximate techniques and also with analytical solutions are available in the literature.

Keywords: Weight Minimization, Frequency Constraints, Steel Frames, ANN, WNN, RASP Function.

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Authors: E. Aruchunan, J. Sulaiman

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The objective of this paper is to analyse the application of the Half-Sweep Gauss-Seidel (HSGS) method by using the Half-sweep approximation equation based on central difference (CD) and repeated trapezoidal (RT) formulas to solve linear fredholm integro-differential equations of first order. The formulation and implementation of the Full-Sweep Gauss-Seidel (FSGS) and Half- Sweep Gauss-Seidel (HSGS) methods are also presented. The HSGS method has been shown to rapid compared to the FSGS methods. Some numerical tests were illustrated to show that the HSGS method is superior to the FSGS method.

Keywords: Integro-differential equations, Linear fredholm equations, Finite difference, Quadrature formulas, Half-Sweep iteration.

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Authors: Habtu Alemayehu, G. Radhakrishnamacharya

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The paper presents an analytical solution for dispersion of a solute in the peristaltic motion of a couple stress fluid through a porous medium with slip condition in the presence of both homogeneous and heterogeneous chemical reactions. The average effective dispersion coefficient has been found using Taylor-s limiting condition and long wavelength approximation. The effects of various relevant parameters on the average coefficient of dispersion have been studied. The average effective dispersion coefficient tends to increase with permeability parameter but tends to decrease with homogeneous chemical reaction rate parameter, couple stress parameter, slip parameter and heterogeneous reaction rate parameter.

Keywords: Dispersion, Peristalsis, Couple stress fluid, Porousmedium, Chemical reaction, Slip condition.

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Authors: G. Balogh, I. A. Szabó, P. Z. Kovács

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Mechanical stress has a strong effect on the magnitude of the Barkhausen-noise in structural steels. Because the measurements are performed at the surface of the material, for a sample sheet, the full effect can be described by a biaxial stress field. The measured Barkhausen-noise is dependent on the orientation of the exciting magnetic field relative to the axis of the stress tensor. The sample inhomogenities including the residual stress also modifies the angular dependence of the measured Barkhausen-noise. We have developed a laboratory device with a cross like specimen for bi-axial bending. The measuring head allowed performing excitations in two orthogonal directions. We could excite the two directions independently or simultaneously with different amplitudes. The simultaneous excitation of the two coils could be performed in phase or with a 90 degree phase shift. In principle this allows to measure the Barkhausen-noise at an arbitrary direction without moving the head, or to measure the Barkhausen-noise induced by a rotating magnetic field if a linear superposition of the two fields can be assumed.

Keywords: Barkhausen-noise, Bi-axial stress, Stress dependency, Stress measuring.

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Authors: K. C. Meher, R. K. Swain, C. K. Chanda

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This paper gives an intuition regarding glowworm swarm optimization (GSO) technique to solve dynamic economic dispatch (DED) problems of thermal generating units. The objective of the problem is to schedule optimal power generation of dedicated thermal units over a specific time band. In this study, Glowworm swarm optimization technique enables a swarm of agents to split into subgroup, exhibit simultaneous taxis towards each other and rendezvous at multiple optima (not necessarily equal) of a given multimodal function. The feasibility of the GSO method has been tested on ten-unit-test systems where the power balance constraints, operating limits, valve point effects, and ramp rate limits are taken into account. The results obtained by the proposed technique are compared with other heuristic techniques. The results show that GSO technique is capable of producing better results.

Keywords: Dynamic economic dispatch, Glowworm swarm optimization, Luciferin, Valve–point loading effect, Ramp rate limits.

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Authors: Wei Zhang, Su-Yan Tang, Yi-Fan Zhu, Wei-Ping Wang

Abstract:

Support vector regression (SVR) has been regarded as a state-of-the-art method for approximation and regression. The importance of kernel function, which is so-called admissible support vector kernel (SV kernel) in SVR, has motivated many studies on its composition. The Gaussian kernel (RBF) is regarded as a “best" choice of SV kernel used by non-expert in SVR, whereas there is no evidence, except for its superior performance on some practical applications, to prove the statement. Its well-known that reproducing kernel (R.K) is also a SV kernel which possesses many important properties, e.g. positive definiteness, reproducing property and composing complex R.K by simpler ones. However, there are a limited number of R.Ks with explicit forms and consequently few quantitative comparison studies in practice. In this paper, two R.Ks, i.e. SV kernels, composed by the sum and product of a translation invariant kernel in a Sobolev space are proposed. An exploratory study on the performance of SVR based general R.K is presented through a systematic comparison to that of RBF using multiple criteria and synthetic problems. The results show that the R.K is an equivalent or even better SV kernel than RBF for the problems with more input variables (more than 5, especially more than 10) and higher nonlinearity.

Keywords: admissible support vector kernel, reproducing kernel, reproducing kernel Hilbert space, support vector regression.

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Authors: Kjersti Engan, Karl Skretting, Jostein Herredsvela, Thor Ole Gulsrud

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Texture classification is an important image processing task with a broad application range. Many different techniques for texture classification have been explored. Using sparse approximation as a feature extraction method for texture classification is a relatively new approach, and Skretting et al. recently presented the Frame Texture Classification Method (FTCM), showing very good results on classical texture images. As an extension of that work the FTCM is here tested on a real world application as detection of abnormalities in mammograms. Some extensions to the original FTCM that are useful in some applications are implemented; two different smoothing techniques and a vector augmentation technique. Both detection of microcalcifications (as a primary detection technique and as a last stage of a detection scheme), and soft tissue lesions in mammograms are explored. All the results are interesting, and especially the results using FTCM on regions of interest as the last stage in a detection scheme for microcalcifications are promising.

Keywords: detection, mammogram, texture classification, dictionary learning, FTCM

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Authors: Kenji Suyama, Masahiro Oshida, Noboru Owada

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In this paper, an estimation accuracy of multiple moving talker tracking using a microphone array is improved. The tracking can be achieved by the adaptive method in which two algorithms are integrated, namely, the PAST (Projection Approximation Subspace Tracking) algorithm and the IPLS (Interior Point Least Square) algorithm. When either talker begins to speak again after a silent period, an appropriate feasible region for an evaluation function of the IPLS algorithm might not be set. Then, the tracking fails due to the incorrect updating. Therefore, if an increment of the number of active talkers is detected, the feasible region must be reset. Then, a low cost realization is required for the high speed tracking and a high accuracy realization is desired for the precise tracking. In this paper, the directions roughly estimated using the delayed-sum-array method are used for the resetting. Several results of experiments performed in an actual room environment show the effectiveness of the proposed method.

Keywords: moving talkers tracking, microphone array, signal subspace

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Authors: Cha’o-Kuang Chen, Ching-Chang Cho

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This paper investigates the natural convection heat transfer performance in a complex-wavy-wall cavity filled with power-law fluid. In performing the simulations, the continuity, Cauchy momentum and energy equations are solved subject to the Boussinesq approximation using a finite volume method. The simulations focus specifically on the effects of the flow behavior index in the power-law model and the Rayleigh number on the flow streamlines, isothermal contours and mean Nusselt number within the cavity. The results show that pseudoplastic fluids have a better heat transfer performance than Newtonian or dilatant fluids. Moreover, it is shown that for Rayleigh numbers greater than Ra=10³, the mean Nusselt number has a significantly increase as the flow behavior index is decreased.

Keywords: Non-Newtonian fluid, Power-law fluid, Natural convection, Heat transfer enhancement, Cavity, Wavy wall.

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Authors: F. M. Nor, N. Abdullah, Al-M. Mustapa, L. Q. Wen, N. A. Faisal, D. A. A. Ahmad Nazari

Abstract:

Estimation of stature is an important step in developing a biological profile for human identification. It may provide a valuable indicator for unknown individual in a population. The aim of this study was to analyses the relationship between stature and lower limb dimensions in the Malaysian population. The sample comprised 100 corpses, which included 69 males and 31 females between age ranges of 20 to 90 years old. The parameters measured were stature, thigh length, lower leg length, leg length, foot length, foot height and foot breadth. Results showed that mean values in males were significantly higher than those in females (P < 0.05). There were significant correlations between lower limb dimensions and stature. Cross-validation of the equation on 100 individuals showed close approximation between known stature and estimated stature. It was concluded that lower limb dimensions were useful for estimation of stature, which should be validated in future studies. 

Keywords: Forensic anthropology population data, lower leg length, Malaysian, stature.

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Authors: Yongxin Yuan

Abstract:

Let R ∈ Cm×m and S ∈ Cn×n be nontrivial unitary involutions, i.e., RH = R = R−1 = ±Im and SH = S = S−1 = ±In. A ∈ Cm×n is said to be a generalized reflexive (anti-reflexive) matrix if RAS = A (RAS = −A). Let ρ be the set of m × n generalized reflexive (anti-reflexive) matrices. Given X ∈ Cn×p, Z ∈ Cm×p, Y ∈ Cm×q and W ∈ Cn×q, we characterize the matrices A in ρ that minimize AX−Z2+Y HA−WH2, and, given an arbitrary A˜ ∈ Cm×n, we find a unique matrix among the minimizers of AX − Z2 + Y HA − WH2 in ρ that minimizes A − A˜. We also obtain sufficient and necessary conditions for existence of A ∈ ρ such that AX = Z, Y HA = WH, and characterize the set of all such matrices A if the conditions are satisfied. These results are applied to solve a class of left and right inverse eigenproblems for generalized reflexive (anti-reflexive) matrices.

Keywords: approximation, generalized reflexive matrix, generalized anti-reflexive matrix, inverse eigenvalue problem.

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Authors: M. S. Salimi, H. Kiamanesh, N. Hedayat

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In this survey the process of crack propagation at the toe of concrete gravity dam is investigated by applying principals and criteria of linear elastic fracture mechanic. Simulating process of earthquake conditions for three models of dam with different geometrical condition, in empty reservoir under plain stress is calculated through special fracture mechanic software FRANNC2D [1] for determining fracture mechanic criteria. The outcomes showed that in spite of the primary expectations, the simultaneous existence of fillet in both toe and heel area (model 3), the rate of maximum principal stress has not been decreased; however, even the maximum principal stress has increased, so it caused stress intensity factors increase which is undesirable. On the other hand, the dam with heel fillet has shown the best attitude and it is because of items like decreasing the rates of maximum and minimum principal stresses and also is related to decreasing the rates of stress intensity factors for 1st & 2nd modes of the model.

Keywords: Stress intensity factor, concrete gravity dam, numerical analysis, geometry of toe.

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Authors: Nassima Cheikh, Abdelmadjid Cheikh, Said Hamou

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The objective of this work which is based on the approach of simultaneous engineering is to contribute to the development of a CIM tool for the synthesis of functional design dimensions expressed by average values and tolerance intervals. In this paper, the dispersions method known as the Δl method which proved reliable in the simulation of manufacturing dimensions is used to develop a methodology for the automation of the simulation. This methodology is constructed around three procedures. The first procedure executes the verification of the functional requirements by automatically extracting the functional dimension chains in the mechanical sub-assembly. Then a second procedure performs an optimization of the dispersions on the basis of unknown variables. The third procedure uses the optimized values of the dispersions to compute the optimized average values and tolerances of the functional dimensions in the chains. A statistical and cost based approach is integrated in the methodology in order to take account of the capabilities of the manufacturing processes and to distribute optimal values among the individual components of the chains.

Keywords: functional tolerances, manufacturing dispersions, simulation, CIM.

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Authors: Tawiwat Veeraklaew, Nathasit Phathana-im, Songkit Heama

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Both the minimum energy consumption and smoothness, which is quantified as a function of jerk, are generally needed in many dynamic systems such as the automobile and the pick-and-place robot manipulator that handles fragile equipments. Nevertheless, many researchers come up with either solely concerning on the minimum energy consumption or minimum jerk trajectory. This research paper proposes a simple yet very interesting relationship between the minimum direct and indirect jerks approaches in designing the time-dependent system yielding an alternative optimal solution. Extremal solutions for the cost functions of direct and indirect jerks are found using the dynamic optimization methods together with the numerical approximation. This is to allow us to simulate and compare visually and statistically the time history of control inputs employed by minimum direct and indirect jerk designs. By considering minimum indirect jerk problem, the numerical solution becomes much easier and yields to the similar results as minimum direct jerk problem.

Keywords: Optimization, Dynamic, Linear Systems, Jerks.

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Authors: V. Tawiwat, P. Jumnong

Abstract:

Both the minimum energy consumption and smoothness, which is quantified as a function of jerk, are generally needed in many dynamic systems such as the automobile and the pick-and-place robot manipulator that handles fragile equipments. Nevertheless, many researchers come up with either solely concerning on the minimum energy consumption or minimum jerk trajectory. This research paper proposes a simple yet very interesting when combining the minimum energy and jerk of indirect jerks approaches in designing the time-dependent system yielding an alternative optimal solution. Extremal solutions for the cost functions of the minimum energy, the minimum jerk and combining them together are found using the dynamic optimization methods together with the numerical approximation. This is to allow us to simulate and compare visually and statistically the time history of state inputs employed by combining minimum energy and jerk designs. The numerical solution of minimum direct jerk and energy problem are exactly the same solution; however, the solutions from problem of minimum energy yield the similar solution especially in term of tendency.

Keywords: Optimization, Dynamic, Linear Systems, Jerks.

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Authors: Paul Christodoulides, Georgios Florides, Panayiotis Pouloupatis, Vassilios Messaritis, Lazaros Lazari

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Ground-source heat pumps achieve higher efficiencies than conventional air-source heat pumps because they exchange heat with the ground that is cooler in summer and hotter in winter than the air environment. Earth heat exchangers are essential parts of the ground-source heat pumps and the accurate prediction of their performance is of fundamental importance. This paper presents the development and validation of a numerical model through an incompressible fluid flow, for the simulation of energy and temperature changes in and around a U-tube borehole heat exchanger. The FlexPDE software is used to solve the resulting simultaneous equations that model the heat exchanger. The validated model (through a comparison with experimental data) is then used to extract conclusions on how various parameters like the U-tube diameter, the variation of the ground thermal conductivity and specific heat and the borehole filling material affect the temperature of the fluid.

Keywords: U-tube borehole, energy flow, incompressible fluid, numerical model

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Authors: José Peralta, Gabriela Peretti, Eduardo Romero, Carlos Marqués

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This paper proposes a new performance characterization for the test strategy intended for second order filters denominated Transient Analysis Method (TRAM). We evaluate the ability of the addressed test strategy for detecting deviation faults under simultaneous statistical fluctuation of the non-faulty parameters. For this purpose, we use Monte Carlo simulations and a fault model that considers as faulty only one component of the filter under test while the others components adopt random values (within their tolerance band) obtained from their statistical distributions. The new data reported here show (for the filters under study) the presence of hard-to-test components and relatively low fault coverage values for small deviation faults. These results suggest that the fault coverage value obtained using only nominal values for the non-faulty components (the traditional evaluation of TRAM) seem to be a poor predictor of the test performance.

Keywords: testing, fault analysis, analog filter test, parametric faults detection.

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Authors: N. Aldea, V. Rednic, F. Matei, Tiandou Hu, M. Neumann

Abstract:

The nickel and gold nanoclusters as supported catalysts were analyzed by XAS, XRD and XPS in order to determine their local, global and electronic structure. The present study has pointed out a strong deformation of the local structure of the metal, due to its interaction with oxide supports. The average particle size, the mean squares of the microstrain, the particle size distribution and microstrain functions of the supported Ni and Au catalysts were determined by XRD method using Generalized Fermi Function for the X-ray line profiles approximation. Based on EXAFS analysis we consider that the local structure of the investigated systems is strongly distorted concerning the atomic number pairs. Metal-support interaction is confirmed by the shape changes of the probability densities of electron transitions: Ni K edge (1s → continuum and 2p), Au LIII-edge (2p3/2 → continuum, 6s, 6d5/2 and 6d3/2). XPS investigations confirm the metal-support interaction at their interface.

Keywords: local and global structure, metal-support interaction, supported metal catalysts, synchrotron radiation, X-ray absorptionspectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy.

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Authors: Joel Arrais, João E. Pereira, João Fernandes, José Luís Oliveira

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The scientific achievements coming from molecular biology depend greatly on the capability of computational applications to analyze the laboratorial results. A comprehensive analysis of an experiment requires typically the simultaneous study of the obtained dataset with data that is available in several distinct public databases. Nevertheless, developing a centralized access to these distributed databases rises up a set of challenges such as: what is the best integration strategy, how to solve nomenclature clashes, how to solve database overlapping data and how to deal with huge datasets. In this paper we present GeNS, a system that uses a simple and yet innovative approach to address several biological data integration issues. Compared with existing systems, the main advantages of GeNS are related to its maintenance simplicity and to its coverage and scalability, in terms of number of supported databases and data types. To support our claims we present the current use of GeNS in two concrete applications. GeNS currently contains more than 140 million of biological relations and it can be publicly downloaded or remotely access through SOAP web services.

Keywords: Data integration, biological databases

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Authors: R. M. Barron, B. Zogheib

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A new numerical method for solving the twodimensional, steady, incompressible, viscous flow equations on a Curvilinear staggered grid is presented in this paper. The proposed methodology is finite difference based, but essentially takes advantage of the best features of two well-established numerical formulations, the finite difference and finite volume methods. Some weaknesses of the finite difference approach are removed by exploiting the strengths of the finite volume method. In particular, the issue of velocity-pressure coupling is dealt with in the proposed finite difference formulation by developing a pressure correction equation in a manner similar to the SIMPLE approach commonly used in finite volume formulations. However, since this is purely a finite difference formulation, numerical approximation of fluxes is not required. Results obtained from the present method are based on the first-order upwind scheme for the convective terms, but the methodology can easily be modified to accommodate higher order differencing schemes.

Keywords: Curvilinear, finite difference, finite volume, SIMPLE.

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