Search results for: modified scaling free CORDIC

Authors: N. Z. Baderisham, H. A. Hamid, N. Osman

Abstract:

The powders of Ba(Ce_1-xZr_x)_0.90Y_0.1O_3-δ (BCZY) with 0.2 ≤ x ≤ 0.6 have been prepared by a modified sol-gel method. Triethylenetetramine (TETA) was employed as chelating agent. Phase formation of calcined powders at 1100^oC and sintered pellets at 1400^oC of BCZY were examined by an X-ray diffractrometer (XRD). XRD results showed the calcined powder and sintered pellet formed a single perovskite phase over the entire range of x values. As the amount of zirconium substitution (x values) increase, the main peaks are shifted to the higher 2theta values which suggest a complete substitution of zirconium into cerium sites. All the obtained calcined powders and sintered pellets possess cubic structure (Pm-3m) at all x values.

Keywords: Structure, phase formation, modified sol-gel, cerate-zirconate electrolye, XRD.

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Authors: M. Hari Prabhu

Abstract:

This paper is based on the performance of the Switched Reluctance Motor (SRM) drives using Z-Source Inverter with the simplified rule base of Fuzzy Logic Controller (FLC) with the output scaling factor (SF) self-tuning mechanism are proposed. The aim of this paper is to simplify the program complexity of the controller by reducing the number of fuzzy sets of the membership functions (MFs) without losing the system performance and stability via the adjustable controller gain. ZSI exhibits both voltage-buck and voltage-boost capability. It reduces line harmonics, improves reliability, and extends output voltage range. The output SF of the controller can be tuned continuously by a gain updating factor, whose value is derived from fuzzy logic, with the plant error and error change ratio as input variables. Then the results, carried out on a four-phase 6/8 pole SRM based on the dSPACEDS1104 platform, to show the feasibility and effectiveness of the devised methods and also performance of the proposed controllers will be compared with conventional counterpart.

Keywords: Fuzzy logic controller, scaling factor (SF), switched reluctance motor (SRM), variable-speed drives.

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Authors: Z. Altawallbeh

Abstract:

In this paper, an explicit homotopic function is constructed to compute the Hochschild homology of a finite dimensional free k-module V. Because the polynomial algebra is of course fundamental in the computation of the Hochschild homology HH and the cyclic homology CH of commutative algebras, we concentrate our work to compute HH of the polynomial algebra, by providing certain homotopic function.

Keywords: Exterior algebra, free resolution, free and projective modules, Hochschild homology, homotopic function, symmetric algebra.

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Authors: Sana Bembli, Nahla Khraief Haddad, Safya Belghith

Abstract:

This paper deals with a robust model free terminal sliding mode with gravity compensation approach used to control an exoskeleton-upper limb system. The considered system is a 2-DoF robot in interaction with an upper limb used for rehabilitation. The aim of this paper is to control the flexion/extension movement of the shoulder and the elbow joints in presence of matched disturbances. In the first part, we present the exoskeleton-upper limb system modeling. Then, we controlled the considered system by the model free terminal sliding mode with gravity compensation. A stability study is realized. To prove the controller performance, a robustness analysis was needed. Simulation results are provided to confirm the robustness of the gravity compensation combined with to the Model free terminal sliding mode in presence of uncertainties.

Keywords: Exoskeleton-upper limb system, gravity compensation, model free terminal sliding mode, robustness analysis, Monte Carlo, H∞ methods.

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Authors: Worawoot Prasitturattanachai, Kamchai Nuithitikul

Abstract:

The conventional production of biodiesel from crude palm oil which contains large amounts of free fatty acids in the presence of a homogeneous base catalyst confronts the problems of soap formation and very low yield of biodiesel. To overcome these problems, free fatty acids must be esterified to their esters in the presence of an acid catalyst prior to alkaline-catalyzed transesterification. Sulfated metal oxides are a promising group of catalysts due to their very high acidity. In this research, aluminadoped sulfated tin oxide (SO4 2-/Al2O3-SnO2) catalysts were prepared and used for esterification of free fatty acids in crude palm oil in a batch reactor. The SO4 2-/Al2O3-SnO2 catalysts were prepared from different Al precursors. The results showed that different Al precursors gave different activities of the SO4 2-/Al2O3-SnO2 catalysts. The esterification of free fatty acids in crude palm oil with methanol in the presence of SO4 2-/Al2O3-SnO2 catalysts followed first-order kinetics.

Keywords: Methyl ester, Biodiesel, Esterification, Sulfated tin oxide, Fatty acid.

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Authors: Alireza BozorgianÏî Navid Majdi Nasab, Hassan Mirzazadeh

Abstract:

In this paper, the effect of modified clay on the mechanical efficiency of epoxy resin is examined. Studies by X ray diffraction and microscopic transient electron method show that modified clay distribution in polymer area is intercalated kind. Examination the results of mechanical tests shows that existence of modified clay in epoxy area increases pressure yield strength, tension module and nano composite fracture toughness in relate of pure epoxy. By microscopic examinations it is recognized too that the action of toughness growth of this kind of nano composite is due to crack deflection, formation of new surfaces and fracture of clay piles.

Keywords: Nano clay, Epoxy, Toughness, Composite

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Authors: Aleksandrs Kovalcuks

Abstract:

Egg yolk oil is a natural source of bioactive compounds such as unsaturated fatty acids, oil soluble vitamins, pigments and others. Bioactive compound content in egg yolk oil depends from its content in eggs, from which oil was extracted. Many studies show that bioactive compound content in egg is correlated to the content of these compounds in hen feed, but there is also an opinion that hen housing systems also have influence on egg chemical content. The aim of this study was to determine which factor, laying hen housing system or hen diet, has a primary influence on bioactive compound content in egg yolk oil. The egg yolk oil was extracted from eggs obtained from 4 different hen housing systems: cage, barn and two groups of free range. All hens were fed with commercially produced compound feed except one group of free range hens which get free diet – pastured hens. Extracted egg yolk oils were analyzed for fatty acids, oil soluble vitamins and β-carotene content. α-tocopherol, ergocalcipherol and polyunsaturated fatty acid content in egg yolk oil was higher from eggs obtained from all housing systems where hens were fed with commercial compound feed. β-carotene and retinol content in egg yolk oils from free range free diet eggs was significantly (p>0.05) higher that from other eggs because hens have access to green forage. Hen physical activity in free range housing systems decreases content of some bioactive compound in egg yolk oil.

Keywords: Egg yolk oil, vitamins, caged eggs, free range.

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Authors: Behzad Khademian, Mohammad Haeri

Abstract:

In this paper, an effective sliding mode design is applied to chaos synchronization. The proposed controller can make the states of two identical modified Chua-s circuits globally asymptotically synchronized. Numerical results are provided to show the effectiveness and robustness of the proposed method.

Keywords: Sliding mode, Chaos synchronization, Modified Chua's circuit.

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Authors: Stoyan Nedeltchev, Markus Schubert

Abstract:

The gas holdup fluctuations in a bubble column (0.15 m in ID) have been recorded by means of a conductivity wire-mesh sensor in order to extract information about the main transition velocities. These parameters are very important for bubble column design, operation and scale-up. For this purpose, the classical definition of the Shannon entropy was modified and used to identify both the onset (at U_G=0.034 m/s) of the transition flow regime and the beginning (at U_G=0.089 m/s) of the churn-turbulent flow regime. The results were compared with the Kolmogorov entropy (KE) results. A slight discrepancy was found, namely the transition velocities identified by means of the KE were shifted to somewhat higher (0.045 and 0.101 m/s) superficial gas velocities U_G.

Keywords: Bubble column, gas holdup fluctuations, Modified Shannon entropy, Kolmogorov entropy.

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Authors: S. R. M. Prasanna, Y. V. Subba Rao, A. Mitra

Abstract:

We describe an effective method for image encryption which employs magnitude and phase manipulation using carrier images. Although it involves traditional methods like magnitude and phase encryptions, the novelty of this work lies in deploying the concept of carrier images for encryption purpose. To this end, a carrier image is randomly chosen from a set of stored images. One dimensional (1-D) discrete Fourier transform (DFT) is then carried out on the original image to be encrypted along with the carrier image. Row wise spectral addition and scaling is performed between the magnitude spectra of the original and carrier images by randomly selecting the rows. Similarly, row wise phase addition and scaling is performed between the original and carrier images phase spectra by randomly selecting the rows. The encrypted image obtained by these two operations is further subjected to one more level of magnitude and phase manipulation using another randomly chosen carrier image by 1-D DFT along the columns. The resulting encrypted image is found to be fully distorted, resulting in increasing the robustness of the proposed work. Further, applying the reverse process at the receiver, the decrypted image is found to be distortionless.

Keywords: Encryption, Carrier images, Magnitude manipulation, Phase manipulation.

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Authors: Byoung-Uk Nam, Hag-Seong Kim, Ho-Jung Lee, Dong-Hyun Kim

Abstract:

This paper focuses on systematic analysis and controller design of the two-inertia STABILIZATION system, considering the angular motion on a base body. This approach is essential to the stabilization system to aim at a target under three or six degrees of freedom base motion. Four controllers, such as conventional PDF(Pseudo-Derivative Feedback) controller with motor speed feedback, PDF controller with load speed feedback, modified PDF controller with motor-load speed feedback and feedforward controller added to modified PDF controller, are suggested to improve reference tracking and disturbance rejection performance. Characteristics and performance of each controller are analyzed and validated by simulation in the case of the modified PDF controller with and without a feedforward controller.

Keywords: Two-Inertia stabilization System, ITAE criterion, Speed Control.

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Authors: A. H. Akhaveissy

Abstract:

Nonlinear finite element method with eight noded isoparametric quadrilateral element is used for prediction of loaddeformation behavior including bearing capacity of foundations. Modified generalized plasticity model with non-associated flow rule is applied for analysis of soil-footing system. Also Von Mises and Tresca criterions are used for simulation of soil behavior. Modified generalized plasticity model is able to simulate load-deformation including softening behavior. Localization phenomena are considered by different meshes. Localization phenomena have not been seen in the examples. Predictions by modified generalized plasticity model show good agreement with laboratory data and theoretical prediction in comparison the other models.

Keywords: Localization phenomena, Generalized plasticity, Non-associated Flow Rule

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Authors: K. Ramasamy, B. Balamuralithara, Mohammad Umar Siddiqi

Abstract:

We proposed a new class of asymmetric turbo encoder for 3G systems that performs well in both “water fall" and “error floor" regions in [7]. In this paper, a modified (optimal) power allocation scheme for the different bits of new class of asymmetric turbo encoder has been investigated to enhance the performance. The simulation results and performance bound for proposed asymmetric turbo code with modified Unequal Power Allocation (UPA) scheme for the frame length, N=400, code rate, r=1/3 with Log-MAP decoder over Additive White Gaussian Noise (AWGN) channel are obtained and compared with the system with typical UPA and without UPA. The performance tests are extended over AWGN channel for different frame size to verify the possibility of implementation of the modified UPA scheme for the proposed asymmetric turbo code. From the performance results, it is observed that the proposed asymmetric turbo code with modified UPA performs better than the system without UPA and with typical UPA and it provides a coding gain of 0.4 to 0.52dB.

Keywords: Asymmetric turbo code, Generator polynomial, Interleaver, UPA, WCDMA, cdma2000.

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Authors: Mohammad R. Irshidat, Mohammed H. Al-Saleh, Mahmoud Al-Shoubaki

Abstract:

This paper investigates the viability of using carbon fiber reinforced epoxy composites modified with carbon nanotubes to strengthening reinforced concrete (RC) columns. Six RC columns was designed and constructed according to ASCE standards. The columns were wrapped using carbon fiber sheets impregnated with either neat epoxy or CNTs modified epoxy. These columns were then tested under concentric axial loading. Test results show that; compared to the unwrapped specimens; wrapping concrete columns with carbon fiber sheet embedded in CNTs modified epoxy resulted in an increase in its axial load resistance, maximum displacement, and toughness values by 24%, 109% and 232%, respectively. These results reveal that adding CNTs into epoxy resin enhanced the confinement effect, specifically, increased the axial load resistance, maximum displacement, and toughness values by 11%, 6%, and 19%, respectively compared with columns strengthening with carbon fiber sheet embedded in neat epoxy.

Keywords: CNT, epoxy, Carbon fiber, RC columns.

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Authors: Kai-Long Hsiao

Abstract:

In this study, an analysis has been performed for free convection with radiation effect over a thermal forming nonlinearly stretching sheet. Parameters n, k0, Pr, G represent the dominance of the nonlinearly effect, radiation effect, heat transfer and free convection effects which have been presented in governing equations, respectively. The similarity transformation and the finite-difference methods have been used to analyze the present problem. From the results, we find that the effects of parameters n, k0, Pr, Ec and G to the nonlinearly stretching sheet. The increase of Prandtl number Pr, free convection parameter G or radiation parameter k0 resulting in the increase of heat transfer effects, but increase of the viscous dissipation number Ec will decrease of heat transfer effect.

Keywords: Nonlinearly stretching sheet, Free convection, Finite-difference, Radiation effect.

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Authors: Jang-Hee Yoo, Doosung Hwang, Jong-Wook Han, Ki-Young Moon

Abstract:

The ability to recognize humans and their activities by computer vision is a very important task, with many potential application. Study of human motion analysis is related to several research areas of computer vision such as the motion capture, detection, tracking and segmentation of people. In this paper, we describe a segmentation method for extracting human body contour in modified HLS color space. To estimate a background, the modified HLS color space is proposed, and the background features are estimated by using the HLS color components. Here, the large amount of human dataset, which was collected from DV cameras, is pre-processed. The human body and its contour is successfully extracted from the image sequences.

Keywords: Background Subtraction, Human Silhouette Extraction, HLS Color Space, and Object Segmentation

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Authors: P. I. Itoua, D. Sun, S. Shen

Abstract:

This study aimed at investigating the properties of asphalt and mix asphalt based on the effects of waste toner sources (WT1 and WT2) with 8% dosage waste toner powders (WT). The test results included penetration, softening points, ductility, G*sinδ, G*/sinδ, Ideal cracking test (IDEAL-CT), and Ideal shear rutting test (IDEAL-RT). The results showed that the base binder with WT2 had a significantly higher viscosity value compared to the WT1 modified binder, and thus, higher energy for mixing and compaction is needed. Furthermore, the results of penetration, softening points, G*sinδ, and G*/sinδ were all affected by waste toner type. In terms of asphalt mixture, the IDEAL-RT test revealed that the addition of waste toner improved the rutting resistance of the asphalt mixture regardless of toner type. Further, CTindex values for waste toner-modified asphalt mixtures show no significant difference. Above all, WT-modified asphalt mixtures produced by the wet process have better rutting performance.

Keywords: Waste toner, waste toner-modified asphalt, asphalt mixture properties, IDEAL-RT test, IDEAL-CT test.

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Authors: Tanapat Brikshavana, Anirut Luadsong

Abstract:

The spectral action balance equation is an equation that used to simulate short-crested wind-generated waves in shallow water areas such as coastal regions and inland waters. This equation consists of two spatial dimensions, wave direction, and wave frequency which can be solved by finite difference method. When this equation with dominating propagation velocity terms are discretized using central differences, stability problems occur when the grid spacing is chosen too coarse. In this paper, we introduce the splitting modified donorcell scheme for avoiding stability problems and prove that it is consistent to the modified donor-cell scheme with same accuracy. The splitting modified donor-cell scheme was adopted to split the wave spectral action balance equation into four one-dimensional problems, which for each small problem obtains the independently tridiagonal linear systems. For each smaller system can be solved by direct or iterative methods at the same time which is very fast when performed by a multi-cores computer.

Keywords: donor-cell scheme, parallel algorithm, spectral action balance equation, splitting method.

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Authors: Meghal Desai, Jigisha Parikh

Abstract:

Aggregation behavior of sodium salicylate and sodium cumene sulfonate was studied in aqueous solution at different temperature. Specific conductivity and relative viscosity were measured at different temperature to find minimum hydrotropic concentration. The thermodynamic parameters (free energy, enthalpy and entropy) were evaluated in the temperature range of 30°C-70°C. The free energy decreased with increase in temperature. The aggregation was found to be exothermic in nature and favored by positive value of entropy.

Keywords: Hydrotropes, Enthalpy, Entropy, Free Energy, Minimum Hydrotropic Concentration.

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Authors: Somnath Dey, Debasis Samanta

Abstract:

Iris-based biometric system is gaining its importance in several applications. However, processing of iris biometric is a challenging and time consuming task. Detection of iris part in an eye image poses a number of challenges such as, inferior image quality, occlusion of eyelids and eyelashes etc. Due to these problems it is not possible to achieve 100% accuracy rate in any iris-based biometric authentication systems. Further, iris detection is a computationally intensive task in the overall iris biometric processing. In this paper, we address these two problems and propose a technique to localize iris part efficiently and accurately. We propose scaling and color level transform followed by thresholding, finding pupil boundary points for pupil boundary detection and dilation, thresholding, vertical edge detection and removal of unnecessary edges present in the eye images for iris boundary detection. Scaling reduces the search space significantly and intensity level transform is helpful for image thresholding. Experimental results show that our approach is comparable with the existing approaches. Following our approach it is possible to detect iris part with 95-99% accuracy as substantiated by our experiments on CASIA Ver-3.0, ICE 2005, UBIRIS, Bath and MMU iris image databases.

Keywords: Iris recognition, iris localization, biometrics, image processing.

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Authors: Yang Xiaoliang, Liu Wei, Wang Hongbo, Zhao Yunfei

Abstract:

Numerical investigation of the characteristics of an 80° delta wing in combined force-pitch and free-roll is presented. The implicit, upwind, flux-difference splitting, finite volume scheme and the second-order-accurate finite difference scheme are employed to solve the flow governing equations and Euler rigid-body dynamics equations, respectively. The characteristics of the delta wing in combined free-roll and large amplitude force-pitch is obtained numerically and shows a well agreement with experimental data qualitatively. The motion in combined force-pitch and free-roll significantly reduces the lift force and transverse stabilities of the delta wing, which is closely related to the flying safety. Investigations on sensitive factors indicate that the roll-axis moment of inertia and the structural damping have great influence on the frequency and amplitude, respectively. Moreover, the turbulence model is considered as an influencing factor in the investigation.

Keywords: combined force-pitch and free-roll, numericalsimulation, sensitive factors, slender delta wing, wing rock

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Authors: V. K. Ananthashayana, Jyothirmayi M.

Abstract:

This paper addresses the problem of source separation in images. We propose a FastICA algorithm employing a modified Gaussian contrast function for the Blind Source Separation. Experimental result shows that the proposed Modified Gaussian FastICA is effectively used for Blind Source Separation to obtain better quality images. In this paper, a comparative study has been made with other popular existing algorithms. The peak signal to noise ratio (PSNR) and improved signal to noise ratio (ISNR) are used as metrics for evaluating the quality of images. The ICA metric Amari error is also used to measure the quality of separation.

Keywords: Amari error, Blind Source Separation, Contrast function, Gaussian function, Independent Component Analysis.

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Authors: Naveen Virmani, Rajeev Saha, Rajeshwar Sahai

Abstract:

Leagile is combination of both lean and agile system. Lean is concerned with less of everything i.e. less material, less time, less space, less manpower to produce a product, while agile is concerned with quick respond to customer demand and to reconfigure the system as soon as possible to meet the customer expectations well on time. The market is excessively competitive, so there is a dire need for the companies to adopt new and modern technologies with latest equipments. It has been seen that implementation of leagile system become tedious so the purpose of the paper is to find critical success factors (CSF) affecting leagile manufacturing system using literature review and rank them by using modified TOPSIS (Technique of order preference by similarity to ideal solution) technique.

Keywords: Agile manufacturing, lean manufacturing, leagile manufacturing, modified TOPSIS.

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Authors: T. H. Young, Y. J. Tsai

Abstract:

A method for determining the stress distribution of a rectangular plate subjected to two pairs of arbitrarily distributed in-plane edge shear loads is proposed, and the free vibration and buckling of such a rectangular plate are investigated in this work.  The method utilizes two stress functions to synthesize the stress-resultant field of the plate with each of the stress functions satisfying the biharmonic compatibility equation. The sum of stress-resultant fields due to these two stress functions satisfies the boundary conditions at the edges of the plate, from which these two stress functions are determined. Then, the free vibration and buckling of the rectangular plate are investigated by the Galerkin method. Numerical results obtained by this work are compared with those appeared in the literature, and good agreements are observed.

Keywords: Stress analysis, free vibration, plate buckling, nonuniform in-plane edge shear.

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Authors: Nawang Chhunid, Gagnesh Kumar

Abstract:

On-chip memories consume a significant portion of the overall die space and power in modern microprocessors. On-chip caches depend on Static Random-Access Memory (SRAM) cells and scaling of technology occurring as per Moore’s law. Unfortunately, the scaling is affecting stability, performance, and leakage power which will become major problems for future SRAMs in aggressive nanoscale technologies due to increasing device mismatch and variations. 3T1D Dynamic Random-Access Memory (DRAM) cell is a non-destructive read DRAM cell with three transistors and a gated diode. In 3T1D DRAM cell gated diode (D1) acts as a storage device and also as an amplifier, which leads to fast read access. Due to its high tolerance to process variation, high density, and low cost of memory as compared to 6T SRAM cell, it is universally used by the advanced microprocessor for on chip data and program memory. In the present paper, it has been shown that 3T1D DRAM cell can perform better in terms of fast read access as compared to 6T, 4T, 3T SRAM cells, respectively.

Keywords: DRAM cell, read access time, tanner EDA tool write access time and retention time, average power dissipation.

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Authors: A.H. Akhaveissy

Abstract:

Nonlinear finite element method and Serendipity eight nodes element are used for determining of ground surface settlement due to tunneling. Linear element with elastic behavior is used for modeling of lining. Modified Generalized plasticity model with nonassociated flow rule is applied for analysis of a tunnel in Sao Paulo – Brazil. The tunnel had analyzed by Lades- model with 16 parameters. In this work modified Generalized Plasticity is used with 10 parameters, also Mohr-Coulomb model is used to analysis the tunnel. The results show good agreement with observed results of field data by modified Generalized Plasticity model than other models. The obtained result by Mohr-Coulomb model shows less settlement than other model due to excavation.

Keywords: Non-associated flow rule, Generalized plasticity, tunnel excavation, Excavation method.

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Authors: S. Annadurai, P. Geetha

Abstract:

Lossless compression schemes with secure transmission play a key role in telemedicine applications that helps in accurate diagnosis and research. Traditional cryptographic algorithms for data security are not fast enough to process vast amount of data. Hence a novel Secured lossless compression approach proposed in this paper is based on reversible integer wavelet transform, EZW algorithm, new modified runlength coding for character representation and selective bit scrambling. The use of the lifting scheme allows generating truly lossless integer-to-integer wavelet transforms. Images are compressed/decompressed by well-known EZW algorithm. The proposed modified runlength coding greatly improves the compression performance and also increases the security level. This work employs scrambling method which is fast, simple to implement and it provides security. Lossless compression ratios and distortion performance of this proposed method are found to be better than other lossless techniques.

Keywords: EZW algorithm, lifting scheme, losslesscompression, reversible integer wavelet transform, securetransmission, selective bit scrambling, modified runlength coding .

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Authors: Rand Alfaris, Mohamed Rushdan MD Said, Mohamed Othman, Fudziah Ismail

Abstract:

This paper is introduced a modification to Diffie- Hellman protocol to be applicable on the decimal numbers, which they are the numbers between zero and one. For this purpose we extend the theory of the congruence. The new congruence is over the set of the real numbers and it is called the “real congruence" or the “real modulus". We will refer to the existing congruence by the “integer congruence" or the “integer modulus". This extension will define new terms and redefine the existing terms. As the properties and the theorems of the integer modulus are extended as well. Modified Diffie-Hellman key exchange protocol is produced a sharing, secure and decimal secret key for the the cryptosystems that depend on decimal numbers.

Keywords: Extended theory of the congruence, modified Diffie- Hellman protocol.

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Authors: Mansour Nikkhah-Bahrami, Masih Loghmani, Mostafa Pooyanfar

Abstract:

In this paper, an analytical approach for free vibration analysis of four edges simply supported rectangular Kirchhoff plates is presented. The method is based on wave approach. From wave standpoint vibration propagate, reflect and transmit in a structure. Firstly, the propagation and reflection matrices for plate with simply supported boundary condition are derived. Then, these matrices are combined to provide a concise and systematic approach to free vibration analysis of a simply supported rectangular Kirchhoff plate. Subsequently, the eigenvalue problem for free vibration of plates is formulated and the equation of plate natural frequencies is constructed. Finally, the effectiveness of the approach is shown by comparison of the results with existing classical solution.

Keywords: Kirchhoff plate, propagation matrix, reflection matrix, vibration analysis.

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Authors: R. Chanajaree, D. Luanwiset, K. Pongpratea

Abstract:

Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

Keywords: Dye removal, binding free energies, quantum calculation, docking.

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