Search results for: Local Density Approximation (LDA)

Authors: Tayeb Bensattalah, Mohamed Zidour, Mohamed Ait Amar Meziane, Tahar Hassaine Daouadji, Abdelouahed Tounsi

Abstract:

In this paper, the Differential Transform Method (DTM) is employed to predict and to analysis the non-local critical buckling loads of carbon nanotubes with various end conditions and the non-local Timoshenko beam described by single differential equation. The equation differential of buckling of the nanobeams is derived via a non-local theory and the solution for non-local critical buckling loads is finding by the DTM. The DTM is introduced briefly. It can easily be applied to linear or nonlinear problems and it reduces the size of computational work. Influence of boundary conditions, the chirality of carbon nanotube and aspect ratio on non-local critical buckling loads are studied and discussed. Effects of nonlocal parameter, ratios L/d, the chirality of single-walled carbon nanotube, as well as the boundary conditions on buckling of CNT are investigated.

Keywords: Boundary conditions, buckling, non-local, the differential transform method.

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Authors: T. V. S. Sekhar, B. Hema Sundar Raju

Abstract:

Laminar natural-convective heat transfer from a horizontal cylinder is studied by solving the Navier-Stokes and energy equations using higher order compact scheme in cylindrical polar coordinates. Results are obtained for Rayleigh numbers of 1, 10, 100 and 1000 for a Prandtl number of 0.7. The local Nusselt number and mean Nusselt number are calculated and compared with available experimental and theoretical results. Streamlines, vorticity - lines and isotherms are plotted.

Keywords: Higher order compact scheme, Navier-Stokes equations, Energy equation, Natural convection, Boussinesq's approximation and Mean Nusselt number.

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Authors: El Mahdi Barrah, Said Safi, Abdessamad Malaoui

Abstract:

In this paper, we describe an application for face recognition. Many studies have used local descriptors to characterize a face, the performance of these local descriptors remain low by global descriptors (working on the entire image). The application of local descriptors (cutting image into blocks) must be able to store both the advantages of global and local methods in the Discrete Cosine Transform (DCT) domain. This system uses neural network techniques. The letter method provides a good compromise between the two approaches in terms of simplifying of calculation and classifying performance. Finally, we compare our results with those obtained from other local and global conventional approaches.

Keywords: Face detection, face recognition, discrete cosine transform (DCT), FPLBP, TPLBP, NN.

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Authors: Nasrul Amri Mohd Amin, Martin Belusko, Frank Bruno

Abstract:

PCMs have always been viewed as a suitable candidate for off peak thermal storage, particularly for refrigeration systems, due to the high latent energy densities of these materials. However, due to the need to have them encapsulated within a container this density is reduced. Furthermore, PCMs have a low thermal conductivity which reduces the useful amount of energy which can be stored. To consider these factors, the true energy storage density of a PCM system was proposed and optimised for PCMs encapsulated in slabs. Using a validated numerical model of the system, a parametric study was undertaken to investigate the impact of the slab thickness, gap between slabs and the mass flow rate. The study showed that, when optimised, a PCM system can deliver a true energy storage density between 53% and 83% of the latent energy density of the PCM.

Keywords: Phase change material, refrigeration, sustainability, thermal energy storage.

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Authors: Mohammed H. Rady, Mohd Sukri Mustapa, S Shamsudin, M. A. Lajis, A. Wagiman

Abstract:

The present study is aimed at investigating microhardness and density of aluminium alloy chips when subjected to various settings of preheating temperature and preheating time. Three values of preheating temperature were taken as 450 °C, 500 °C, and 550 °C. On the other hand, three values of preheating time were chosen (1, 2, 3) hours. The influences of the process parameters (preheating temperature and time) were analyzed using Design of Experiments (DOE) approach whereby full factorial design with center point analysis was adopted. The total runs were 11 and they comprise of two factors of full factorial design with 3 center points. The responses were microhardness and density. The results showed that the density and microhardness increased with decreasing the preheating temperature. The results also found that the preheating temperature is more important to be controlled rather than the preheating time in microhardness analysis while both the preheating temperature and preheating time are important in density analysis. It can be concluded that setting temperature at 450 °C for 1 hour resulted in the optimum responses.

Keywords: AA6061, density, DOE, hot extrusion, microhardness.

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Authors: Soo- Young Ye, Ki-Gon Nam, Ki-Won Byun

Abstract:

In this paper, we were introduces a skin detection method using a histogram approximation based on the mean shift algorithm. The proposed method applies the mean shift procedure to a histogram of a skin map of the input image, generated by comparison with standard skin colors in the CbCr color space, and divides the background from the skin region by selecting the maximum value according to brightness level. The proposed method detects the skin region using the mean shift procedure to determine a maximum value that becomes the dividing point, rather than using a manually selected threshold value, as in existing techniques. Even when skin color is contaminated by illumination, the procedure can accurately segment the skin region and the background region. The proposed method may be useful in detecting facial regions as a pretreatment for face recognition in various types of illumination.

Keywords: Skin region detection, mean shift, histogram approximation.

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Authors: Abhijit Mitra, Pranab Kumar Banerjee, C. Ardil

Abstract:

We introduce an effective approach for automatic offline au- thentication of handwritten samples where the forgeries are skillfully done, i.e., the true and forgery sample appearances are almost alike. Subtle details of temporal information used in online verification are not available offline and are also hard to recover robustly. Thus the spatial dynamic information like the pen-tip pressure characteristics are considered, emphasizing on the extraction of low density pixels. The points result from the ballistic rhythm of a genuine signature which a forgery, however skillful that may be, always lacks. Ten effective features, including these low density points and den- sity ratio, are proposed to make the distinction between a true and a forgery sample. An adaptive decision criteria is also derived for better verification judgements.

Keywords: Handwritten document verification, Skilled forgeries, Low density pixels, Adaptive decision boundary.

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Authors: Maja Benkovic, Ingrid Bauman

Abstract:

The objective of this work was to investigate flow properties of powdered infant formula samples. Samples were purchased at a local pharmacy and differed in composition. Lactose free infant formula, gluten free infant formula and infant formulas containing dietary fibers and probiotics were tested and compared with a regular infant formula sample which did not contain any of these supplements. Particle size and bulk density were determined and their influence on flow properties was discussed. There were no significant differences in bulk densities of the samples, therefore the connection between flow properties and bulk density could not be determined. Lactose free infant formula showed flow properties different to standard supplement-free sample. Gluten free infant formula with addition of probiotic microorganisms and dietary fiber had the narrowest particle size distribution range and exhibited the best flow properties. All the other samples exhibited the same tendency of decreasing compaction coefficient with increasing flow speed, which means they all become freer flowing with higher flow speeds.

Keywords: flow properties, infant formula, powderedmaterial

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Authors: N. Z. Azlan, H. Yamaura

Abstract:

This paper presents the Function Approximation Technique (FAT) based adaptive impedance control for a robotic finger. The force based impedance control is developed so that the robotic finger tracks the desired force while following the reference position trajectory, under unknown environment position and uncertainties in finger parameters. The control strategy is divided into two phases, which are the free and contact phases. Force error feedback is utilized in updating the uncertain environment position during contact phase. Computer simulations results are presented to demonstrate the effectiveness of the proposed technique.

Keywords: Adaptive impedance control, force based impedance control, force control, Function Approximation Technique (FAT), unknown environment position.

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Authors: Phusit Phukamchanoad, Thananya Santithammakul, Suwaree Yordchim, Pennapa Palapin

Abstract:

This research gathered local wisdom towards career building of people in Kamchanoad Community, Baan Muang sub-district, Baan Dung district, Udon Thani province. Data was collected through in-depth interviews with village headmen, community board, teachers, monks, Kamchanoad forest managers and revered elderly aged over 60 years old. All of these 30 interviewees have resided in Kamchanoad Community for more than 40. Descriptive data analysis result revealed that the most prominent local wisdom of Kamchanoad community is their beliefs and religion. Most people in the community have strongly maintained local tradition, the festival of appeasing Chao Pu Sri Suttho on the middle of the 6th month of Thai lunar calendar which falls on the same day with Vesak Day. 100 percent of the people in this community are Buddhist. They believe that Naga, an entity or being, taking the form of a serpent, named “Sri Suttho” lives in Kamchanoad forest. The local people worship the serpent and ask for blessings. Another local wisdom of this community is Sinh fabric weaving.

Keywords: Local Wisdom, Careers, Kamchanoad Community.

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Authors: Aref Ghafouri, Mohammad Javad Mollakazemi, Farhad Asadi

Abstract:

In this paper, model order reduction method is used for approximation in linear and nonlinearity aspects in some experimental data. This method can be used for obtaining offline reduced model for approximation of experimental data and can produce and follow the data and order of system and also it can match to experimental data in some frequency ratios. In this study, the method is compared in different experimental data and influence of choosing of order of the model reduction for obtaining the best and sufficient matching condition for following the data is investigated in format of imaginary and reality part of the frequency response curve and finally the effect and important parameter of number of order reduction in nonlinear experimental data is explained further.

Keywords: Frequency response, Order of model reduction, frequency matching condition.

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Authors: Mubarak Alhajri

Abstract:

This paper addresses certain inherent limitations of local priority hysteresis switching logic. Our main result establishes that under persistent excitation assumption, it is possible to relax constraints requiring strict positivity of local priority and hysteresis switching constants. Relaxing these constraints allows the adaptive system to reach optimality which implies the performance improvement. The unconstrained local priority hysteresis switching logic is examined and conditions for global convergence are derived.

Keywords: Adaptive control, convergence, hysteresis constant, hysteresis switching.

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Authors: Z. Gholamzadeh, A. Zali, S. A. H. Feghhi, C. Tenreiro, Y. Kadi, M. Rezazadeh, M. Aref

Abstract:

Most HWRs currently use natural uranium fuel. Using enriched uranium fuel results in a significant improvement in fuel cycle costs and uranium utilization. On the other hand, reactivity changes of HWRs over the full range of operating conditions from cold shutdown to full power are small. This reduces the required reactivity worth of control devices and minimizes local flux distribution perturbations, minimizing potential problems due to transient local overheating of fuel. Analyzing heavy water effectiveness on neutronic parameters such as enrichment requirements, peaking factor and reactivity is important and should pay attention as primary concepts of a HWR core designing. Two nuclear nuclear reactors of CANDU-type and hexagonal-type reactor cores of 33 fuel assemblies and 19 assemblies in 1.04 P/D have been respectively simulated using MCNP-4C code. Using heavy water and light water as moderator have been compared for achieving less reactivity insertion and enrichment requirements. Two fuel matrixes of (232Th/235U)O2 and (238/235U)O2 have been compared to achieve more economical and safe design. Heavy water not only decreased enrichment needs, but it concluded in negative reactivity insertions during moderator density variations. Thorium oxide fuel assemblies of 2.3% enrichment loaded into the core of heavy water moderator resulted in 0.751 fission to absorption ratio and peaking factor of 1.7 using. Heavy water not only provides negative reactivity insertion during temperature raises which changes moderator density but concluded in 2 to 10 kg reduction of enrichment requirements, depend on geometry type.

Keywords: MCNP-4C, Reactor core, Multiplication factor, Reactivity, Peaking factor.

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Authors: M. E. Ghobadi, M. Ghobadi

Abstract:

Sowing date and density are two important factors in produce of coriander. A field experiment was conducted with treatments: sowing time (5 May, 20 May, 4 June and 19 June 2009) and plant density (10, 30, 50 and 70 plants m-2). The experimental plots were laid out in a factorial according to a RCBD with three replications. Results showed that the effect of sowing dates and densities were significant on grain yield and yield components, but interaction effects between sowing time and density were non significant for all of traits in this trial. At sowing times 5 May, 20 May, 4 June and 19 June, grain yield obtained 736.9, 837.8, 1003.1 and 1299.6 kg ha-1, respectively. At 10, 30, 50 and 70 plants m-2, grain yield were 794.9, 1031.0, 1092.3 and 959.3 kg ha-1, respectively. In this experiment, sowing at 19 June and 50 and 30 plants m-2 had the most grain yield.

Keywords: Coriander, sowing date, plant density, yield andyield components.

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Authors: Ha T. Pham, Shuichi Miyagawa

Abstract:

Ongoing landscape transformation is one of the major causes behind disappearance of traditional landscapes, and lead to species and resource loss. Tree in paddy fields in the northeast of Thailand is one of those traditional landscapes. Using three different historical time layers, we acknowledged the severe deforestation and rapid urbanization happened in the region. Despite the general thinking of decline in tree density as consequences, the heterogeneous trend of changes in total tree density in three studied landscapes denied the hypothesis that number of trees in paddy field depend on the length of land use practice. On the other hand, due to selection of planting new trees on levees, existence of trees in paddy field now relies on their values for human use. Besides, changes in land use and landscape structure had a significant impact on decision of which tree density level is considered as suitable for the landscape.

Keywords: Aerial photographs, land use change, traditional landscape, tree in paddy fields.

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Authors: Arnab Majumdar, Srimani Sen

Abstract:

In this paper, a vivid simulated study has been made on 35 GHz Ka-band window frequency in order to judge and compare the DC and high frequency properties of cubic ZnB-GaN with the existing hexagonal 4H-SiC. A flat profile p⁺pnn⁺ DDR structure of impatt is chosen and is optimized at a particular bias current density with respect to efficiency and output power taking into consideration the effect of mobile space charge also. The simulated results obtained reveals the strong potentiality of impatts based on both cubic ZnB-GaN and hexagonal 4H-SiC. The DC-to-millimeter wave conversion efficiency for cubic ZnB-GaN impatt obtained is 50% with an estimated output power of 2.83 W at an optimized bias current density of 2.5×10⁸ A/m². The conversion efficiency and estimated output power in case of hexagonal 4H-SiC impatt obtained is 22.34% and 40 W respectively at an optimum bias current density of 0.06×10⁸ A/m².

Keywords: Cubic ZnB-GaN, hexagonal 4H-SiC, Double drift impatt diode, millimeter wave, optimized bias current density, wide band gap semiconductor.

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Authors: Bachir Chemani, Halima Chemani

Abstract:

The objective of this study is to investigate the effect of adding coal to obtain insulating ceramic product. The preparation of mixtures is achieved with 04 types of different masse compositions, consisting of gray and yellow clay, and coal. Analyses are performed on local raw materials by adding coal as additive. The coal content varies from 5 to 20 % in weight by varying the size of coal particles ranging from 0.25mm to 1.60mm.

Initially, each natural moisture content of a raw material has been determined at the temperature of 105°C in a laboratory oven. The Influence of low-coal content on absorption, the apparent density, the contraction and the resistance during compression have been evaluated. The experimental results showed that the optimized composition could be obtained by adding 10% by weight of coal leading thus to insulating ceramic products with water absorption, a density and resistance to compression of 9.40 %, 1.88 g/cm³, 35.46 MPa, respectively. The results show that coal, when mixed with traditional raw materials, offers the conditions to be used as an additive in the production of lightweight ceramic products.

Keywords: Clay, coal, resistance to compression, insulating bricks.

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Authors: Raphael Zanella, Todd A. Oliver, Karl W. Schulz

Abstract:

This work deals with the finite element approximation of axisymmetric compressible flows with swirl velocity. We are interested in problems where the flow, while weakly dependent on the azimuthal coordinate, may have a strong azimuthal velocity component. We describe the approximation of the compressible Navier-Stokes equations with H1-conformal spaces of axisymmetric functions. The weak formulation is implemented in a C++ solver with explicit time marching. The code is first verified with a convergence test on a manufactured solution. The verification is completed by comparing the numerical and analytical solutions in a Poiseuille flow case and a Taylor-Couette flow case. The code is finally applied to the problem of a swirling subsonic air flow in a plasma torch geometry.

Keywords: Axisymmetric problem, compressible Navier- Stokes equations, continuous finite elements, swirling flow.

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Authors: Sandra Ondrušová, Jaroslav Polec

Abstract:

Arbitrarily shaped video objects are an important concept in modern video coding methods. The techniques presently used are not based on image elements but rather video objects having an arbitrary shape. In this paper, spatial shape error concealment techniques to be used for object-based image in error-prone environments are proposed. We consider a geometric shape representation consisting of the object boundary, which can be extracted from the α-plane. Three different approaches are used to replace a missing boundary segment: Bézier interpolation, Bézier approximation and NURBS approximation. Experimental results on object shape with different concealment difficulty demonstrate the performance of the proposed methods. Comparisons with proposed methods are also presented.

Keywords: error concealment, shape coding, object-based image, NURBS, Bézier curves.

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Authors: S. Esakkirajan, T. Veerakumar, V. Senthil Murugan, P. Navaneethan

Abstract:

The existing image coding standards generally degrades at low bit-rates because of the underlying block based Discrete Cosine Transform scheme. Over the past decade, the success of wavelets in solving many different problems has contributed to its unprecedented popularity. Due to implementation constraints scalar wavelets do not posses all the properties such as orthogonality, short support, linear phase symmetry, and a high order of approximation through vanishing moments simultaneously, which are very much essential for signal processing. New class of wavelets called 'Multiwavelets' which posses more than one scaling function overcomes this problem. This paper presents a new image coding scheme based on non linear approximation of multiwavelet coefficients along with multistage vector quantization. The performance of the proposed scheme is compared with the results obtained from scalar wavelets.

Keywords: Image compression, Multiwavelets, Multi-stagevector quantization.

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Authors: E. Murányi, P. Pepó

Abstract:

The small plot experiment was set in 2013 at the RISFLátókép Experimental Farm of the Centre for Agricultural and Applied Economic Sciences of the University of Debrecen, on lime-coated chernozem soil in four replications. The final heights of the maize hybrids were studied at three plant densities (50, 70, and 90 thousand ha^-1) and two row spacing (45 and 76cm). During the experiment, we have investigated the development of the final plant heights of five maize hybrids of different vegetation time and genotype: Sarolta, DKC 4025, P 9175, Reseda/P 37M81, and SY Affinity. In the development of the plant heights, the tiller number and the hybrid were the decisive factors. The increasing stock density resulted in significant difference in the plant height values, while the row spacing did not. With the increase of plant density and the length of vegetation time, the heights of the individual plants increased.

Keywords: Maize, plant density, row spacing, plant height, genotype.

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Authors: Le Hieu Giang, Truong Nguyen Luan Vu, Le Linh

Abstract:

In this paper, the analytical tuning rules of IMC-PID controller are presented for the multivariable Smith predictor that involved the ideal decoupling. Accordingly, the decoupler is first introduced into the multivariable Smith predictor control system by a well-known approach of ideal decoupling, which is compactly extended for general nxn multivariable processes and the multivariable Smith predictor controller is then obtained in terms of the multiple single-loop Smith predictor controllers. The tuning rules of PID controller in series with filter are found by using Maclaurin approximation. Many multivariable industrial processes are employed to demonstrate the simplicity and effectiveness of the presented method. The simulation results show the superior performances of presented method in compared with the other methods.

Keywords: Ideal decoupler, IMC-PID controller, multivariable Smith predictor, Maclaurin approximation.

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Authors: M. Asato, C. Liu, N. Fujima, T. Hoshino, Y. Chen, T. Mohri

Abstract:

We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: Full-potential KKR-Green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect.

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Authors: Yongxin Yuan

Abstract:

In this paper, we first give the representation of the general solution of the following inverse eigenvalue problem (IEP): Given X ∈ Rn×p and a diagonal matrix Λ ∈ Rp×p, find nontrivial real-valued symmetric arrow-head matrices A and B such that AXΛ = BX. We then consider an optimal approximation problem: Given real-valued symmetric arrow-head matrices A, ˜ B˜ ∈ Rn×n, find (A, ˆ Bˆ) ∈ SE such that Aˆ − A˜2 + Bˆ − B˜2 = min(A,B)∈SE (A−A˜2 +B −B˜2), where SE is the solution set of IEP. We show that the optimal approximation solution (A, ˆ Bˆ) is unique and derive an explicit formula for it.

Keywords: Partially prescribed spectral information, symmetric arrow-head matrix, inverse problem, optimal approximation.

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Authors: S. Hma Salah, H. Du, N. Al-Jawad

Abstract:

Ethnicity identification of face images is of interest in many areas of application, but existing methods are few and limited. This paper presents a fusion scheme that uses block-based uniform local binary patterns and Haar wavelet transform to combine local and global features. In particular, the LL subband coefficients of the whole face are fused with the histograms of uniform local binary patterns from block partitions of the face. We applied the principal component analysis on the fused features and managed to reduce the dimensionality of the feature space from 536 down to around 15 without sacrificing too much accuracy. We have conducted a number of preliminary experiments using a collection of 746 subject face images. The test results show good accuracy and demonstrate the potential of fusing global and local features. The fusion approach is robust, making it easy to further improve the identification at both feature and score levels.

Keywords: Ethnicity identification, fusion, local binary patterns, wavelet.

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Authors: P. K. Singhal, R. Naresh, V. Sharma

Abstract:

This paper presents the three optimization models, namely New Binary Artificial Bee Colony (NBABC) algorithm, NBABC with Local Search (NBABC-LS), and NBABC with Genetic Crossover (NBABC-GC) for solving the Wind-Thermal Unit Commitment (WTUC) problem. The uncertain nature of the wind power is incorporated using the Weibull probability density function, which is used to calculate the overestimation and underestimation costs associated with the wind power fluctuation. The NBABC algorithm utilizes a mechanism based on the dissimilarity measure between binary strings for generating the binary solutions in WTUC problem. In NBABC algorithm, an intelligent scout bee phase is proposed that replaces the abandoned solution with the global best solution. The local search operator exploits the neighboring region of the current solutions, whereas the integration of genetic crossover with the NBABC algorithm increases the diversity in the search space and thus avoids the problem of local trappings encountered with the NBABC algorithm. These models are then used to decide the units on/off status, whereas the lambda iteration method is used to dispatch the hourly load demand among the committed units. The effectiveness of the proposed models is validated on an IEEE 10-unit thermal system combined with a wind farm over the planning period of 24 hours.

Keywords: Artificial bee colony algorithm, economic dispatch, unit commitment, wind power.

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Authors: P. K. Singhal, R. Naresh, V. Sharma

Abstract:

This paper presents the three optimization models, namely New Binary Artificial Bee Colony (NBABC) algorithm, NBABC with Local Search (NBABC-LS), and NBABC with Genetic Crossover (NBABC-GC) for solving the Wind-Thermal Unit Commitment (WTUC) problem. The uncertain nature of the wind power is incorporated using the Weibull probability density function, which is used to calculate the overestimation and underestimation costs associated with the wind power fluctuation. The NBABC algorithm utilizes a mechanism based on the dissimilarity measure between binary strings for generating the binary solutions in WTUC problem. In NBABC algorithm, an intelligent scout bee phase is proposed that replaces the abandoned solution with the global best solution. The local search operator exploits the neighboring region of the current solutions, whereas the integration of genetic crossover with the NBABC algorithm increases the diversity in the search space and thus avoids the problem of local trappings encountered with the NBABC algorithm. These models are then used to decide the units on/off status, whereas the lambda iteration method is used to dispatch the hourly load demand among the committed units. The effectiveness of the proposed models is validated on an IEEE 10-unit thermal system combined with a wind farm over the planning period of 24 hours.

Keywords: Artificial bee colony algorithm, economic dispatch, unit commitment, wind power.

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Authors: Lei Zhang, Tao Wang, Xiantong Zhen

Abstract:

Naive Bayes Nearest Neighbor (NBNN) and its variants, i,e., local NBNN and the NBNN kernels, are local feature-based classifiers that have achieved impressive performance in image classification. By exploiting instance-to-class (I2C) distances (instance means image/video in image/video classification), they avoid quantization errors of local image descriptors in the bag of words (BoW) model. However, the performances of NBNN, local NBNN and the NBNN kernels have not been validated on video analysis. In this paper, we introduce these three classifiers into human action recognition and conduct comprehensive experiments on the benchmark KTH and the realistic HMDB datasets. The results shows that those I2C based classifiers consistently outperform the SVM classifier with the BoW model.

Keywords: Instance-to-class distance, NBNN, Local NBNN, NBNN kernel.

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Authors: A. Pouhassani

Abstract:

The aim of this paper is to exhibit some properties of local topologies of an IVS. Also, we Introduce ISG structure as an interesting structure of semigroups in IVSs.

Keywords: IVS, ISG, Local topology, Lebesgue number, Lindelof theorem

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Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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