Search results for: full scale accelerated pavement set up

Authors: Djemaa Megdoud, Messaoud Boudaa, Fatima Ouamrane, Salem Benamara

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In recent years, the compression of date (Phoenix dactylifera L.) fruit powders (DP) to obtain date tablets (DT) has been suggested as a promising form of valorization of non commercial valuable date fruit (DF) varieties. To further improve and characterize DT, the present study aims to investigate the influence of the DP particle size and compression force on some physical properties of DT. The results show that independently of particle size, the hardness (y) of tablets increases with the increase of the compression force (x) following a logarithmic law (y = a ln (bx) where a and b are the constants of model). Further, a full factorial design (FFD) at two levels, applied to investigate the erosion %, reveals that the effects of time and particle size are the same in absolute value and they are beyond the effect of the compression. Regarding the disintegration time, the obtained results also by means of a FFD show that the effect of the compression force exceeds 4 times that of the DP particle size. As final stage, the color parameters in the CIELab system of DT immediately after their obtaining are differently influenced by the size of the initial powder.

Keywords: Powder, valorization, tablets, date fruit (Phoenix dactylifera L.), hardness, erosion, disintegration time, color.

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Authors: A. Charlangsut, M. Boonthienthong, N. Rugthaicharoencheep

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This paper proposes a mathematical model for transmission expansion employing optimization method with scenario analysis approach. Economic transmission planning, on the other hand, seeks investment opportunities so that network expansions can generate more economic benefits than the costs. This approach can be used as a decision model for building new transmission lines added to the existing transmission system minimizing costs of the entire system subject to various system’s constraints and consider of loss value of transmission system and N-1 checking. The results show that the proposed model is efficient to be applied for the larger scale of power system topology.

Keywords: Transmission Expansion Planning, Economic Dispatch, Scenario Analysis, Contingency.

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Authors: M. H. Omar

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Cheating on standardized tests has been a major concern as it potentially minimizes measurement precision. One major way to reduce cheating by collusion is to administer multiple forms of a test. Even with this approach, potential collusion is still quite large. A Latin-square treatment structure for distributing multiple forms is proposed to further reduce the colluding potential. An index to measure the extent of colluding potential is also proposed. Finally, with a simple algorithm, the various Latin-squares were explored to find the best structure to keep the colluding potential to a minimum.

Keywords: Colluding pairs, Scale for Colluding Potential, Latin-Square Structure, Minimization of Cheating.

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Authors: C. P. Autry, A.W. Roscoe

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Authentication protocols based on public key infrastructure (PKI) and trusted third party (TTP) are no longer adequate for industrial scale IoT networks thanks to issues such as low compute and power availability, the use of widely distributed and commercial off-the-shelf (COTS) systems, and the increasingly sophisticated attackers and attacks we now have to counter. For example, there is increasing concern about nation-state-based interference and future quantum computing capability. We have examined this space from first principles and have developed several approaches to group and point-to-point authentication for IoT that do not depend on the use of a centralised client-server model. We emphasise the use of quantum resistant primitives such as strong cryptographic hashing and the use multi-factor authentication.

Keywords: Authentication, enterprise IoT cybersecurity, public key infrastructure, trusted third party.

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Authors: Mona Heydari, Ehsan Motamedian, Seyed Abbas Shojaosadati

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Prediction of perturbations after genetic manipulation (especially gene knockout) is one of the important challenges in systems biology. In this paper, a new algorithm is introduced that integrates microarray data into the metabolic model. The algorithm was used to study the change in the cell phenotype after knockout of Gss gene in Escherichia coli BW25113. Algorithm implementation indicated that gene deletion resulted in more activation of the metabolic network. Growth yield was more and less regulating gene were identified for mutant in comparison with the wild-type strain.

Keywords: Metabolic network, gene knockout, flux balance analysis, microarray data, integration.

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Authors: Meysam Mohamad pour, Fardad Farokhi

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In this paper in consideration of each available techniques deficiencies for speech recognition, an advanced method is presented that-s able to classify speech signals with the high accuracy (98%) at the minimum time. In the presented method, first, the recorded signal is preprocessed that this section includes denoising with Mels Frequency Cepstral Analysis and feature extraction using discrete wavelet transform (DWT) coefficients; Then these features are fed to Multilayer Perceptron (MLP) network for classification. Finally, after training of neural network effective features are selected with UTA algorithm.

Keywords: Multilayer perceptron (MLP) neural network, Discrete Wavelet Transform (DWT) , Mels Scale Frequency Filter , UTA algorithm.

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Authors: Abdulsalam I. Rafida

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The main objective of this research was to investigate the biosorption capacity for biofilms of sulphate reducing bacteria (SRB) to remove heavy metals, such as Zn, Pb and Cd from rainwater using laboratory-scale reactors containing mixed support media. Evidence showed that biosorption had contributed to removal of heavy metals including Zn, Pb and Cd in presence of SRB and SRB were also found in the aqueous samples from reactors. However, the SRB and specific families (Desulfobacteriaceae and Desulfovibrionaceae) were found mainly in the biomass samples taken from all reactors at the end of the experiment. EDX-analysis of reactor solids at end of experiment showed that heavy metals Zn, Pb and Cd had also accumulated in these precipitates.

Keywords: Sulphate reducing bacteria (SRB), biosorption capacity.

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Authors: Vahid Nademi

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In response to widely used wearable medical devices equipped with a continuous glucose monitor (CGM) and insulin pump, the advanced control methods are still demanding to get the full benefit of these devices. Unlike costly clinical trials, implementing effective insulin-glucose control strategies can provide significant contributions to the patients suffering from chronic diseases such as diabetes. This study deals with a key role of two-layer insulin-glucose regulator based on model-predictive-control (MPC) scheme so that the patient’s predicted glucose profile is in compliance with the insulin level injected through insulin pump automatically. It is achieved by iterative optimization algorithm which is called an integrated perturbation analysis and sequential quadratic programming (IPA-SQP) solver for handling uncertainties due to unexpected variations in glucose-insulin values and body’s characteristics. The feasibility evaluation of the discussed control approach is also studied by means of numerical simulations of two case scenarios via measured data. The obtained results are presented to verify the superior and reliable performance of the proposed control scheme with no negative impact on patient safety.

Keywords: Blood glucose monitoring, insulin pump, optimization, predictive control, diabetes disease.

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Authors: Seda Yavuz, Anıl Çelebi, Aysun Taşyapı Çelebi, Oğuzhan Urhan

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Nowadays, demand for using real-time video transmission capable devices is ever-increasing. So, high resolution videos have made efficient video compression techniques an essential component for capturing and transmitting video data. Motion estimation has a critical role in encoding raw video. Hence, various motion estimation methods are introduced to efficiently compress the video. Low bit‑depth representation based motion estimation methods facilitate computation of matching criteria and thus, provide small hardware footprint. In this paper, a hardware implementation of a two-bit transformation based low-complexity motion estimation method using local binary pattern approach is proposed. Image frames are represented in two-bit depth instead of full-depth by making use of the local binary pattern as a binarization approach and the binarization part of the hardware architecture is explained in detail. Experimental results demonstrate the difference between the proposed hardware architecture and the architectures of well-known low-complexity motion estimation methods in terms of important aspects such as resource utilization, energy and power consumption.

Keywords: Binarization, hardware architecture, local binary pattern, motion estimation, two-bit transform.

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Authors: Joseph E. Hummer

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An efficient freeway system will be essential to the development of Africa, and interchanges are a key to that efficiency. Around the world, many interchanges between freeways and surface streets, called service interchanges, are of the diamond configuration, and interchanges using roundabouts or loop ramps are also popular. However, many diamond interchanges have serious operational problems, interchanges with roundabouts fail at high demand levels, and loops use lots of expensive land. Newer service interchange designs provide other options. The most popular new interchange design in the US at the moment is the double crossover diamond (DCD), also known as the diverging diamond. The DCD has enormous potential, but also has several significant limitations. The objectives of this paper are to review new service interchange options and to highlight some of the main features of those alternatives. The paper tests four conventional and seven unconventional designs using seven measures related to efficiency, cost, and safety. The results show that there is no superior design in all measures investigated. The DCD is better than most designs tested on most measures examined. However, the DCD was only superior to all other designs for bridge width. The DCD performed relatively poorly for capacity and for serving pedestrians. Based on the results, African freeway designers are encouraged to investigate the full range of alternatives that could work at the spot of interest. Diamonds and DCDs have their niches, but some of the other designs investigated could be optimum at some spots.

Keywords: Alternative, design, diverging diamond, freeway, interchange.

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Authors: Young-Seok Choi

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This work assesses the cortical and the sub-cortical neural activity recorded from rodents using entropy and mutual information based approaches to study how hypothermia affects neural activity. By applying the multi-scale entropy and Shannon entropy, we quantify the degree of the regularity embedded in the cortical and sub-cortical neurons and characterize the dependency of entropy of these regions on temperature. We study also the degree of the mutual information on thalamocortical pathway depending on temperature. The latter is most likely an indicator of coupling between these highly connected structures in response to temperature manipulation leading to arousal after global cerebral ischemia.

Keywords: Spiking activity, entropy, mutual information, temperature modulation.

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Authors: P. Sowa

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The article reviews the current state of large-scale studies about the impact of electromagnetic field on natural environment. The scenario of investigations – simulation of natural conditions at the workplace, taking into consideration the influence both low and high frequency electromagnetic fields is shown.The biological effects of low and high frequency electromagnetic fields are below presented. Results of investigation with animals are shown. The norms and regulations concerning the levels of electromagnetic field intensity are reviewed.

Keywords: Electromagnetic field and environment, biological effects of electric field on human body, simulation of natural condition at workplace

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Authors: Pratch Kittipongpattana, Thongchai Fongsamootr

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This research aimed to study the influences of a soot blowing operation and geometrical variables to the stress characteristic of water wall tubes located in soot blowing areas which caused the boilers of Mae Moh power plant to lose their generation hour. The research method is divided into 2 parts (a) measuring the strain on water wall tubes by using 3-element rosette strain gages orientation during a full capacity plant operation and in periods of soot blowing operations (b) creating a finite element model in order to calculate stresses on tubes and validating the model by using experimental data in a steady state plant operation. Then, the geometrical variables in the model were changed to study stresses on the tubes. The results revealed that the stress was not affected by the soot blowing process and the finite element model gave the results 1.24% errors from the experiment. The geometrical variables influenced the stress, with the most optimum tubes design in this research reduced the average stress from the present design 31.28%.

Keywords: Boiler water wall tube, Finite element, Stress analysis, Strain gage rosette.

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Authors: R. Ziaie Moayed, B. Mohammadi-Haji

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Stone columns have been widely employed to improve the load-settlement characteristics of soft soils. The results of two small scale displacement control loading tests on stone columns were used in order to validate numerical finite element simulations. Additionally, a series of numerical calculations of static loading have been performed on strengthened raft footing to investigate the effects of using stone columns on bearing capacity of footings. The bearing capacity of single and group of stone columns under static loading compares with unimproved ground.

Keywords: Circular raft footing, numerical analysis, validation, vertically encased stone column.

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Authors: Liang Zhang, Hai-Tao Zhang, W ei-Yong Ying, Ding-Ye Fang

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Dehydration of methanol to dimethyl ether (DME) over a commercial Al2O3 catalyst was studied in an isothermal integral fixed bed reactor. The experiments were performed on the temperature interval 513-613 K, liquid hourly space velocity (LHSV) of 0.9-2.1h-1, pressures between 0.1 and 1.0 MPa. The effect of different operation conditions on the dehydration of methanol was investigated in a laboratory scale experiment. A new intrinsic kinetics equation based on the mechanism of Langmuir-Hinshelwood dissociation adsorption was developed for the dehydration reaction by fitting the expressions to the experimental data. An activation energy of 67.21 kJ/mol was obtained for the catalyst with the best performance. Statistic test showed that this new intrinsic kinetics equation was acceptable.

Keywords: catalyst, dimethyl ether, intrinsic kinetics, methanol

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Authors: Yong-Taeg Lee, Jun-Ho Na, Seung-Hun Kim, Seong-Uk Hong

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Damages from noise and vibration are increasing every year, most of which are noises between floors in deteriorated building caused by floor impact sound. In this study, the concrete slab measured vibration impact sound for evaluation floor vibration of deteriorated buildings that fails to satisfy with the minimum thickness. In this experimental study, the vibration scale by impact sound was calibrated and compared with ISO and AIJ standard for vibration. The results show that vibration in slab with thickness used in existing building reach human perception levels.

Keywords: Vibration, Frequency, Accelerometer, Concrete slab.

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Authors: I. R. Kanu, T. J. Aspray, A. J. Adeloye

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As a result of the ambiguity and complexity surrounding anaerobic digester foaming, efforts have been made by various researchers to understand the process of anaerobic digester foaming so as to proffer a solution that can be universally applied rather than site specific. All attempts ranging from experimental analysis to comparative review of other process has not fully explained the conditions and process of foaming in anaerobic digester. Studying the current available knowledge on foam formation and relating it to anaerobic digester process and operating condition, this piece of work presents a succinct and enhanced understanding of foaming in anaerobic digesters as well as introducing a simple method to identify the onset of anaerobic digester foaming based on analysis of historical data from a field scale system.

Keywords: Anaerobic digester, foam, biogas, surfactants, wastewater sludge.

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Authors: Musa Seymen, Duran Yavuz, Nurcan Yavuz, Önder Türkmen

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Edible seed pumpkin (Cucurbita pepo L.) is one of the important edibles preferred by consumer in Turkey due to its higher nutrient contents. However, there is almost very few study on water consumption and irrigation water requirement of confectionary edible seed pumpkin in Turkey. Therefore, a 2-year study (2013-2014) was conducted to determine the effects of irrigation levels on the seed yield and yield components of drip-irrigated confectionary edible seed pumpkin under Turkey conditions. In the study, the experimental design was made in randomized blocks with three replications. Treatments consisted of five irrigation water levels that compensated for the 100% (I₁₀₀, full irrigation), 75% (I₇₅), 50% (I₅₀), 25% (I₂₅) and 0% (I₀, no irrigation) of crop water requirements at 14-day irrigation intervals. Seasonal evapotranspiration of treatments varied from 194.2 to 625.2 mm in 2013 and from 208.6 to 556.6 mm in 2014. In both years, the highest seasonal evapotranspiration was obtained in I₁₀₀ treatment. Average across years, the seed yields ranged between 1090 (I₁₀₀) and 422 (I₀) kg ha^-1. The irrigation treatments were found to significantly affect the yield parameters such as the seed yield, oil seed yield number of seeds per fruit, seed size, seed width, fruit size, fruit width and fruit index.

Keywords: Irrigation level, edible seed pumpkin, seed quality, seed yield.

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Authors: A. Badalyan, R. Hovsepyan, V. Mekhitaryan, P. Mantashyan, R. Drampyan

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In this paper we report the technique of optical induction of 2 and 3-dimensional (2D and 3D) photonic lattices in photorefractive materials based on diffraction grating self replication -Talbot effect. 1D and 2D different rotational symmery diffraction masks with the periods of few tens micrometers and 532 nm cw laser beam were used in the experiments to form an intensity modulated light beam profile. A few hundred micrometric scale replications of mask generated intensity structures along the beam propagation axis were observed. Up to 20 high contrast replications were detected for 1D annular mask with 30

Keywords: Diffraction gratings, laser, photonic lattice, Talbot effect.

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Authors: Rungchat Chompu-Inwai, Akararit Charoenkasemsuk

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The use of electronic sensors in the electronics industry has become increasingly popular over the past few years, and it has become a high competition product. The frequency adjustment process is regarded as one of the most important process in the electronic sensor manufacturing process. Due to inaccuracies in the frequency adjustment process, up to 80% waste can be caused due to rework processes; therefore, this study aims to provide a preliminary understanding of the role of parameters used in the frequency adjustment process, and also make suggestions in order to further improve performance. Four parameters are considered in this study: air pressure, dispensing time, vacuum force, and the distance between the needle tip and the product. A full factorial design for experiment 2k was considered to determine those parameters that significantly affect the accuracy of the frequency adjustment process, where a deviation in the frequency after adjustment and the target frequency is expected to be 0 kHz. The experiment was conducted on two levels, using two replications and with five center-points added. In total, 37 experiments were carried out. The results reveal that air pressure and dispensing time significantly affect the frequency adjustment process. The mathematical relationship between these two parameters was formulated, and the optimal parameters for air pressure and dispensing time were found to be 0.45 MPa and 458 ms, respectively. The optimal parameters were examined by carrying out a confirmation experiment in which an average deviation of 0.082 kHz was achieved.

Keywords: Design of Experiment, Electronic Sensor, Frequency Adjustment, Parametric Analysis

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Authors: Kang-Hung Yang, Jin-Yuan Hsu

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In recent years, several severe large-scale influenza outbreaks happened in many countries, such as SARS in 2005 or H1N1 in 2009. Those influenza Epidemics have greatly impacts not only on people-s life and health, but medical systems in different countries. Although severe diseases are more experienced, they are not fully controlled. Governments have different policies to control the spreads of diseases. However, those policies have both positive and negative social or economical influence on people and society. Therefore, it is necessary and essential to develop an appropriate model for evaluations of policies. Consequently, a proper measure can be implemented to confront the diseases. The main goal of this study is to develop a SIR-based model for the further evaluations of the candidate policies during the influenza outbreaks.

Keywords: SIR, influenza, systems dynamic model, H1N1

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Authors: Shunsuke Miyoshi, Yasuyuki Nogami, Takuya Kusaka, Nariyoshi Yamai

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Elliptic curve discrete logarithm problem(ECDLP) is one of problems on which the security of pairing-based cryptography is based. This paper considers Pollard’s rho method to evaluate the security of ECDLP on Barreto-Naehrig(BN) curve that is an efficient pairing-friendly curve. Some techniques are proposed to make the rho method efficient. Especially, the group structure on BN curve, distinguished point method, and Montgomery trick are well-known techniques. This paper applies these techniques and shows its optimization. According to the experimental results for which a large-scale parallel system with MySQL is applied, 94-bit ECDLP was solved about 28 hours by parallelizing 71 computers.

Keywords: Pollard’s rho method, BN curve, Montgomery multiplication.

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Authors: Ghada Badr, Arwa Alturki

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The biological function of an RNA molecule depends on its structure. The objective of the alignment is finding the homology between two or more RNA secondary structures. Knowing the common functionalities between two RNA structures allows a better understanding and a discovery of other relationships between them. Besides, identifying non-coding RNAs -that is not translated into a protein- is a popular application in which RNA structural alignment is the first step A few methods for RNA structure-to-structure alignment have been developed. Most of these methods are partial structure-to-structure, sequence-to-structure, or structure-to-sequence alignment. Less attention is given in the literature to the use of efficient RNA structure representation and the structure-to-structure alignment methods are lacking. In this paper, we introduce an O(N2) Component-based Pairwise RNA Structure Alignment (CompPSA) algorithm, where structures are given as a component-based representation and where N is the maximum number of components in the two structures. The proposed algorithm compares the two RNA secondary structures based on their weighted component features rather than on their base-pair details. Extensive experiments are conducted illustrating the efficiency of the CompPSA algorithm when compared to other approaches and on different real and simulated datasets. The CompPSA algorithm shows an accurate similarity measure between components. The algorithm gives the flexibility for the user to align the two RNA structures based on their weighted features (position, full length, and/or stem length). Moreover, the algorithm proves scalability and efficiency in time and memory performance.

Keywords: Alignment, RNA secondary structure, pairwise, component-based, data mining.

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Authors: A. F. Ali, D. M. Shawky

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Discovering new biological knowledge from the highthroughput biological data is a major challenge to bioinformatics today. To address this challenge, we developed a new approach for protein classification. Proteins that are evolutionarily- and thereby functionally- related are said to belong to the same classification. Identifying protein classification is of fundamental importance to document the diversity of the known protein universe. It also provides a means to determine the functional roles of newly discovered protein sequences. Our goal is to predict the functional classification of novel protein sequences based on a set of features extracted from each protein sequence. The proposed technique used datasets extracted from the Structural Classification of Proteins (SCOP) database. A set of spectral domain features based on Fast Fourier Transform (FFT) is used. The proposed classifier uses multilayer back propagation (MLBP) neural network for protein classification. The maximum classification accuracy is about 91% when applying the classifier to the full four levels of the SCOP database. However, it reaches a maximum of 96% when limiting the classification to the family level. The classification results reveal that spectral domain contains information that can be used for classification with high accuracy. In addition, the results emphasize that sequence similarity measures are of great importance especially at the family level.

Keywords: Bioinformatics, Artificial Neural Networks, Protein Sequence Analysis, Feature Extraction.

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Authors: M. Bayareh, S. Mortazavi

Abstract:

The migration of a deformable drop in simple shear flow at finite Reynolds numbers is investigated numerically by solving the full Navier-Stokes equations using a finite difference/front tracking method. The objectives of this study are to examine the effectiveness of the present approach to predict the migration of a drop in a shear flow and to investigate the behavior of the drop migration with different drop sizes and non-unity viscosity ratios. It is shown that the drop deformation depends strongly on the capillary number, so that; the proper non-dimensional number for the interfacial tension is the capillary number. The rate of migration increased with increasing the drop radius. In other words, the required time for drop migration to the centreline decreases. As the viscosity ratio increases, the drop rotates more slowly and the lubrication force becomes stronger. The increased lubrication force makes it easier for the drop to migrate to the centre of the channel. The migration velocity of the drop vanishes as the drop reaches the centreline under viscosity ratio of one and non-unity viscosity ratios. To validate the present calculations, some typical results are compared with available experimental and theoretical data.

Keywords: drop migration, shear flow, front-tracking method, finite difference method.

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Authors: J. Y. Heo, H. G. Sung

Abstract:

Numerical simulations have been performed for assessment of compressibility correction of two-equation turbulence models suitable for large scale separation flows perturbed by pintle strokes. In order to take into account pintle movement, a sliding mesh method was applied. The chamber pressure, mass flow rate, and thrust have been analyzed, and the response lag and sensitivity at the chamber and nozzle were estimated for a movable pintle. The nozzle performance for pintle reciprocating as its insertion and extraction processes, were analyzed to better understand the dynamic performance of the pintle nozzle.

Keywords: Pintle, sliding mesh, turbulent model, compressibility correction.

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Authors: Hsiang-Fu Yu, Yu-Chan Hsu, Chun Fang, Hao-Yun Yang

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Periodic broadcast is a cost-effective solution for large-scale distribution of popular videos because this approach guarantees constant worst service latency, regardless of the number of video requests. An essential periodic broadcast method is the client-centric approach (CCA), which allows clients to use smaller receiving bandwidth to download broadcast data. An enhanced version, namely CCA++, was proposed to yield a shorter waiting time. This work further improves CCA++ in reducing client buffer requirements. The new scheme decreases the buffer requirements by as much as 52% when compared to CCA++. This study also provides an analytical evaluation to demonstrate the performance advantage, as compared with particular schemes.

Keywords: Periodic broadcast, client-centric approach, buffer space, multimedia communications.

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Authors: M. Kidouche, H. Habbi, M. Zelmat

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In this paper, the decomposition-aggregation method is used to carry out connective stability criteria for general linear composite system via aggregation. The large scale system is decomposed into a number of subsystems. By associating directed graphs with dynamic systems in an essential way, we define the relation between system structure and stability in the sense of Lyapunov. The stability criteria is then associated with the stability and system matrices of subsystems as well as those interconnected terms among subsystems using the concepts of vector differential inequalities and vector Lyapunov functions. Then, we show that the stability of each subsystem and stability of the aggregate model imply connective stability of the overall system. An example is reported, showing the efficiency of the proposed technique.

Keywords: Composite system, Connective stability, Lyapunovfunctions.

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Authors: Stephen Akuma, Isaac Terngu Adom, Evelyn Doofan Akuma

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Generation after generation of humans has experienced conflicts leading to needless deaths. Usually, it begins as a minor argument that occasionally escalates into a full-fledged conflict. There has been a lingering crisis in the Lake Chad Basin (LCB) of Africa for over a decade leading to bloodshed that has claimed thousands of lives. The terrorist group, Boko Haram has claimed responsibility for these deaths. Efforts have been made by the governments in the LCB region to end the crisis through kinetic approaches, but the conflict persists. In this work, we explored non-kinetic methods used by social scientists in resolving conflicts, with a focus on computational approaches due to the increasing processing power of the computer. Firstly, we reviewed the innovative computational methods available for researchers working on conflict, violence, and peace. Secondly, we described how an Agent-Based Model (ABM) can be linked with a Geographic Information System (GIS) to model the LCB. Finally, this research discusses the challenges and opportunities in constructing a Geographic Information System linked Agent-Based Model of the LCB region.

Keywords: Agent-based modelling, conflict, Geographical Information Systems, Lake Chad Basin, simulation.

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Authors: Madhusudan Purohit, Stephen Philip, Bharathkumar Inturi

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In this paper we report the quantitative structure activity relationship of novel bis-triazole derivatives for predicting the activity profile. The full model encompassed a dataset of 46 Bis- triazoles. Tripos Sybyl X 2.0 program was used to conduct CoMSIA QSAR modeling. The Partial Least-Squares (PLS) analysis method was used to conduct statistical analysis and to derive a QSAR model based on the field values of CoMSIA descriptor. The compounds were divided into test and training set. The compounds were evaluated by various CoMSIA parameters to predict the best QSAR model. An optimum numbers of components were first determined separately by cross-validation regression for CoMSIA model, which were then applied in the final analysis. A series of parameters were used for the study and the best fit model was obtained using donor, partition coefficient and steric parameters. The CoMSIA models demonstrated good statistical results with regression coefficient (r²) and the cross-validated coefficient (q²) of 0.575 and 0.830 respectively. The standard error for the predicted model was 0.16322. In the CoMSIA model, the steric descriptors make a marginally larger contribution than the electrostatic descriptors. The finding that the steric descriptor is the largest contributor for the CoMSIA QSAR models is consistent with the observation that more than half of the binding site area is occupied by steric regions.

Keywords: 3D QSAR, CoMSIA, Triazoles.

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