Search results for: long-term computational analysis

Authors: Muhammad Rehan Khalid, Muhammad Haroon Siddiqui, Danish Ilyas

Abstract:

This paper explores the implementation of adaptive coding and modulation schemes for Multiple-Input Multiple-Output Orthogonal Frequency Division Multiplexing (MIMO-OFDM) feedback systems. Adaptive coding and modulation enables robust and spectrally-efficient transmission over time-varying channels. The basic premise is to estimate the channel at the receiver and feed this estimate back to the transmitter, so that the transmission scheme can be adapted relative to the channel characteristics. Two types of codebook based channel feedback techniques are used in this work. The longterm and short-term CSI at the transmitter is used for efficient channel utilization. OFDM is a powerful technique employed in communication systems suffering from frequency selectivity. Combined with multiple antennas at the transmitter and receiver, OFDM proves to be robust against delay spread. Moreover, it leads to significant data rates with improved bit error performance over links having only a single antenna at both the transmitter and receiver. The coded modulation increases the effective transmit power relative to uncoded variablerate variable-power MQAM performance for MIMO-OFDM feedback system. Hence proposed arrangement becomes an attractive approach to achieve enhanced spectral efficiency and improved error rate performance for next generation high speed wireless communication systems.

Keywords: Adaptive Coded Modulation, MQAM, MIMO, OFDM, Codebooks, Feedback.

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Authors: Kyu Jin Kim, Byung Kwan Oh, Hyo Seon Park

Abstract:

The seismic responses-based structural health monitoring system has been performed to prevent seismic damage. Structural seismic damage of building is caused by the instantaneous stress concentration which is related with dynamic characteristic of earthquake. Meanwhile, seismic response analysis to estimate the dynamic responses of building demands significantly high computational cost. To prevent the failure of structural members from the characteristic of the earthquake and the significantly high computational cost for seismic response analysis, this paper presents an artificial neural network (ANN) based prediction model for dynamic responses of building considering specific time length. Through the measured dynamic responses, input and output node of the ANN are formed by the length of specific time, and adopted for the training. In the model, evolutionary radial basis function neural network (ERBFNN), that radial basis function network (RBFN) is integrated with evolutionary optimization algorithm to find variables in RBF, is implemented. The effectiveness of the proposed model is verified through an analytical study applying responses from dynamic analysis for multi-degree of freedom system to training data in ERBFNN.

Keywords: Structural health monitoring, dynamic response, artificial neural network, radial basis function network, genetic algorithm.

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Authors: Kausik Halder, Nabendu Chaki, Ranjan Dasgupta

Abstract:

We present a modeling framework that supports the engineering of early requirements specifications for design of learner centric dynamic Learning Management System. The framework is based on i* modeling tool and Means End Analysis, that adopts primitive concepts for modeling early requirements (such as actor, goal, and strategic dependency). We show how pedagogical and computational requirements for designing a learner centric Learning Management system can be adapted for the automatic early requirement engineering specifications. Finally, we presented a model on a Learner Quanta based adaptive Courseware. Our early requirement analysis shows that how means end analysis reveals gaps and inconsistencies in early requirements specifications that are by no means trivial to discover without the help of formal analysis tool.

Keywords: Adaptive Courseware, Early Requirement Engineering, Means End Analysis, Organizational Modeling, Requirement Modeling.

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Authors: Chandrakant R Kini, Satish Shenoy B, Yagnesh Sharma N.

Abstract:

In a bid to improve turbine entry temperature for maximizing the thermal efficiency of the HP stage gas turbine blade, an attempt is made in this paper to compare the performance of helicoidal ducted blade cooling with turbulator of different geometric proportion. It is found from analysis that there is significant improvement in cooling characteristics for turbine blade with turbulator geometry having larger e/D ratio. Also it is found from analysis, performance is vastly improved for greater thickness of turbulator geometry.

Keywords: Conjugate heat transfer, turbine blade cooling, helicoidal cooling duct, turbulator.

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Authors: Omar Boutkhoum, Mohamed Hanine, Tarik Agouti, Abdessadek Tikniouine

Abstract:

This paper discusses the intake of combining multi-criteria decision analysis (MCDA) with OLAP systems, to generate an integrated analysis process dealing with complex multi-criteria decision-making situations. In this context, a multi-agent modeling is presented for decision support systems by combining multi-criteria decision analysis (MCDA) with OLAP systems. The proposed modeling which consists in performing the multi-agent system (MAS) architecture, procedure and protocol of the negotiation model is elaborated as a decision support tool for complex decision-making environments. Our objective is to take advantage from the multi-agent system which distributes resources and computational capabilities across interconnected agents, and provide a problem modeling in terms of autonomous interacting component-agents. Thus, the identification and evaluation of criteria as well as the evaluation and ranking of alternatives in a decision support situation will be performed by organizing tasks and user preferences between different agents in order to reach the right decision. At the end, an illustrative example is conducted to demonstrate the function and effectiveness of our MAS modeling.

Keywords: Multidimensional Analysis, OLAP Analysis, Multi-criteria Decision Analysis, Multi-Agent System, Decision Support System.

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Authors: Mohammed Ibrahim M, Anupama R.

Abstract:

Robustness is one of the primary performance criteria for an Intelligent Video Surveillance (IVS) system. One of the key factors in enhancing the robustness of dynamic video analysis is,providing accurate and reliable means for shadow detection. If left undetected, shadow pixels may result in incorrect object tracking and classification, as it tends to distort localization and measurement information. Most of the algorithms proposed in literature are computationally expensive; some to the extent of equalling computational requirement of motion detection. In this paper, the homogeneity property of shadows is explored in a novel way for shadow detection. An adaptive division image (which highlights homogeneity property of shadows) analysis followed by a relatively simpler projection histogram analysis for penumbra suppression is the key novelty in our approach.

Keywords: homogeneity, penumbra, projection histogram, shadow correction

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Authors: Marcia T. Mitchell

Abstract:

This research uses computational linguistics, an area of study that employs a computer to process natural language, and aims at discerning the patterns that exist in declarative sentences used in technical texts. The approach is mathematical, and the focus is on instructional texts found on web pages. The technique developed by the author and named the MAYA Semantic Technique is used here and organized into four stages. In the first stage, the parts of speech in each sentence are identified. In the second stage, the subject of the sentence is determined. In the third stage, MAYA performs a frequency analysis on the remaining words to determine the verb and its object. In the fourth stage, MAYA does statistical analysis to determine the content of the web page. The advantage of the MAYA Semantic Technique lies in its use of mathematical principles to represent grammatical operations which assist processing and accuracy if performed on unambiguous text. The MAYA Semantic Technique is part of a proposed architecture for an entire web-based intelligent tutoring system. On a sample set of sentences, partial semantics derived using the MAYA Semantic Technique were approximately 80% accurate. The system currently processes technical text in one domain, namely Cµ programming. In this domain all the keywords and programming concepts are known and understood.

Keywords: Natural language understanding, computational linguistics, knowledge representation, linguistic theories.

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Authors: J. P. Dubois, O. M. Abdul-Latif

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Support Vector Machine (SVM) is a recent class of statistical classification and regression techniques playing an increasing role in applications to detection problems in various engineering problems, notably in statistical signal processing, pattern recognition, image analysis, and communication systems. In this paper, SVM is applied to an infrared (IR) binary communication system with different types of channel models including Ricean multipath fading and partially developed scattering channel with additive white Gaussian noise (AWGN) at the receiver. The structure and performance of SVM in terms of the bit error rate (BER) metric is derived and simulated for these channel stochastic models and the computational complexity of the implementation, in terms of average computational time per bit, is also presented. The performance of SVM is then compared to classical binary signal maximum likelihood detection using a matched filter driven by On-Off keying (OOK) modulation. We found that the performance of SVM is superior to that of the traditional optimal detection schemes used in statistical communication, especially for very low signal-to-noise ratio (SNR) ranges. For large SNR, the performance of the SVM is similar to that of the classical detectors. The implication of these results is that SVM can prove very beneficial to IR communication systems that notoriously suffer from low SNR at the cost of increased computational complexity.

Keywords: Least square-support vector machine, on-off keying, matched filter, maximum likelihood detector, wireless infrared communication.

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Authors: Chanchal Saha, Huynh Trung Luong, M. H. Aziz, Tharinan Rattanalert

Abstract:

Now-a-days, numbers of simulation software are being used all over the world to solve Computational Fluid Dynamics (CFD) related problems. In this present study, a commercial CFD simulation software namely STAR-CCM+ is applied to analyze the airflow characteristics inside a 2.5" hard disk drive. Each step of the software is described adequately to obtain the output and the data are verified with the theories to justify the robustness of the simulation outcome. This study gives an insight about the accuracy level of the CFD simulation software to compute CFD related problems although it largely depends upon the computer speed. Also this study will open avenues for further research.

Keywords: Computational fluid dynamics, Hard disk drive, Meshing, Recirculation filter, and Filter physics parameter.

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Authors: Muhammad Waseem Ashraf, Shahzadi Tayyaba, Nitin Afzulpurkar, Asim Nisar, Adisorn Tuantranont, Erik L J Bohez

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In this paper, design, fabrication and coupled multifield analysis of hollow out-of-plane silicon microneedle array with piezoelectrically actuated microfluidic device for transdermal drug delivery (TDD) applications is presented. The fabrication process of silicon microneedle array is first done by series of combined isotropic and anisotropic etching processes using inductively coupled plasma (ICP) etching technology. Then coupled multifield analysis of MEMS based piezoelectrically actuated device with integrated 2×2 silicon microneedle array is presented. To predict the stress distribution and model fluid flow in coupled field analysis, finite element (FE) and computational fluid dynamic (CFD) analysis using ANSYS rather than analytical systems has been performed. Static analysis and transient CFD analysis were performed to predict the fluid flow through the microneedle array. The inlet pressure from 10 kPa to 150 kPa was considered for static CFD analysis. In the lumen region fluid flow rate 3.2946 μL/min is obtained at 150 V for 2×2 microneedle array. In the present study the authors have performed simulation of structural, piezoelectric and CFD analysis on three dimensional model of the piezoelectrically actuated mcirofluidic device integrated with 2×2 microneedle array.

Keywords: Coupled multifield, finite element analysis, hollow silicon microneedle, transdermal drug delivery.

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Authors: Ashutosh Kumar Singh, Anand Mohan

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This paper deals with efficient computation of probability coefficients which offers computational simplicity as compared to spectral coefficients. It eliminates the need of inner product evaluations in determination of signature of a combinational circuit realizing given Boolean function. The method for computation of probability coefficients using transform matrix, fast transform method and using BDD is given. Theoretical relations for achievable computational advantage in terms of required additions in computing all 2n probability coefficients of n variable function have been developed. It is shown that for n ≥ 5, only 50% additions are needed to compute all probability coefficients as compared to spectral coefficients. The fault detection techniques based on spectral signature can be used with probability signature also to offer computational advantage.

Keywords: Binary Decision Diagrams, Spectral Coefficients, Fault detection

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Authors: Dinesh Kumar, C.S. Rai, Shakti Kumar

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Face Recognition has always been a fascinating research area. It has drawn the attention of many researchers because of its various potential applications such as security systems, entertainment, criminal identification etc. Many supervised and unsupervised learning techniques have been reported so far. Principal Component Analysis (PCA), Self Organizing Maps (SOM) and Independent Component Analysis (ICA) are the three techniques among many others as proposed by different researchers for Face Recognition, known as the unsupervised techniques. This paper proposes integration of the two techniques, SOM and PCA, for dimensionality reduction and feature selection. Simulation results show that, though, the individual techniques SOM and PCA itself give excellent performance but the combination of these two can also be utilized for face recognition. Experimental results also indicate that for the given face database and the classifier used, SOM performs better as compared to other unsupervised learning techniques. A comparison of two proposed methodologies of SOM, Local and Global processing, shows the superiority of the later but at the cost of more computational time.

Keywords: Face Recognition, Principal Component Analysis, Self Organizing Maps, Independent Component Analysis

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Authors: M. Kamal M. Shah, Noorhifiantylaily Ahmad, O. Irma Wani, J. Sahari

Abstract:

This paper presents the computationally mechanics analysis of energy absorption for cylindrical and square thin wall tubed structure by using ABAQUS/explicit. The crashworthiness behavior of AISI 1020 mild steel thin-walled tube under axial loading has been studied. The influence effects of different model’s cross-section, as well as model length on the crashworthiness behavior of thin-walled tube, are investigated. The model was placed on loading platform under axial loading with impact velocity of 5 m/s to obtain the deformation results of each model under quasi-static loading. The results showed that model undergoes different deformation mode exhibits different energy absorption performance.

Keywords: Axial loading, energy absorption performance, computational mechanics, crashworthiness behavior, deformation mode, thin-walled tubes.

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Authors: S. Jain, Y. Deshpande

Abstract:

The fluid mechanics principle is used extensively in designing axial flow fans and their associated equipment. This paper presents a computational fluid dynamics (CFD) modeling of air flow distribution from a radiator axial flow fan used in an acid pump truck Tier4 (APT T4) Repower. This axial flow fan augments the transfer of heat from the engine mounted on the APT T4. CFD analysis was performed for an area weighted average static pressure difference at the inlet and outlet of the fan. Pressure contours, velocity vectors, and path lines were plotted for detailing the flow characteristics for different orientations of the fan blade. The results were then compared and verified against known theoretical observations and actual experimental data. This study shows that a CFD simulation can be very useful for predicting and understanding the flow distribution from a radiator fan for further research work.

Keywords: Computational fluid dynamics (CFD), acid pump truck (APT) Tier4 Repower, axial flow fan, area weighted average static pressure difference, and contour plots.

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Authors: Luciano Garelli, Marco Schauer, Jorge D’Elia, Mario A. Storti, Sabine C. Langer

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This paper discuss a coupling strategy of two different software packages to provide fluid structure interaction (FSI) analysis. The basic idea is to combine the advantages of the two codes to create a powerful FSI solver for two and three dimensional analysis. The fluid part is computed by a program called PETSc-FEM a software developed at Centro de Investigaci´on de M´etodos Computacionales –CIMEC. The structural part of the coupled process is computed by the research code elementary Parallel Solver – (ELPASO) of the Technische Universit¨at Braunschweig, Institut f¨ur Konstruktionstechnik (IK).

Keywords: Computational Fluid Dynamics (CFD), Fluid Structure Interaction (FSI), Finite Element Method (FEM).

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Authors: Sitansu Kumar Verma, Soni Yadav, Jitendra Singh, Shraddha, Ajay Kumar

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MicroRNAs (miRNAs), a class of approximately 22 nucleotide long non coding RNAs which play critical role in different biological processes. The mature microRNA is usually 19–27 nucleotides long and is derived from a bigger precursor that folds into a flawed stem-loop structure. Mature micro RNAs are involved in many cellular processes that encompass development, proliferation, stress response, apoptosis, and fat metabolism by gene regulation. Resent finding reveals that certain viruses encode their own miRNA that processed by cellular RNAi machinery. In recent research indicate that cellular microRNA can target the genetic material of invading viruses. Cellular microRNA can be used in the virus life cycle; either to up regulate or down regulate viral gene expression Computational tools use in miRNA target prediction has been changing drastically in recent years. Many of the methods have been made available on the web and can be used by experimental researcher and scientist without expert knowledge of bioinformatics. With the development and ease of use of genomic technologies and computational tools in the field of microRNA biology has superior tremendously over the previous decade. This review attempts to give an overview over the genome wide approaches that have allow for the discovery of new miRNAs and development of new miRNA target prediction tools and databases.

Keywords: MicroRNAs, computational tools, gene regulation, databases, RNAi.

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Authors: Gabriela-Alina Dumitrel, Teodor Todinca, Carmen Holotescu, Cosmina-Mariana Militaru

Abstract:

The paper presents a computational tool developed for the evaluation of technical and economic advantages of an innovative cleaning and conditioning technology of fluidized bed steam/oxygen gasifiers outlet product gas. This technology integrates into a single unit the steam gasification of biomass and the hot gas cleaning and conditioning system. Both components of the computational tool, process flowsheet and economic evaluator, have been developed under IPSEpro software. The economic model provides information that can help potential users, especially small and medium size enterprises acting in the regenerable energy field, to decide the optimal scale of a plant and to better understand both potentiality and limits of the system when applied to a wide range of conditions.

Keywords: biomass, CHP units, economic evaluation, gasification.

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Authors: Nhon Do, Tam Pham

Abstract:

Knowledge bases are basic components of expert systems or intelligent computational programs. Knowledge bases provide knowledge, events that serve deduction activity, computation and control. Therefore, researching and developing of models for knowledge representation play an important role in computer science, especially in Artificial Intelligence Science and intelligent educational software. In this paper, the extensive deduction computational model is proposed to design knowledge bases whose attributes are able to be real values or functional values. The system can also solve problems based on knowledge bases. Moreover, the models and algorithms are applied to produce the educational software for solving alternating current problems or solving set of equations automatically.

Keywords: Educational software, artificial intelligence, knowledge base systems, knowledge representation.

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Authors: Zane Turner, Kevin Labille, Susan Gauch

Abstract:

Sentiment analysis is a broad and expanding field that aims to extract and classify opinions from textual data. Lexicon-based approaches are based on the use of a sentiment lexicon, i.e., a list of words each mapped to a sentiment score, to rate the sentiment of a text chunk. Our work focuses on predicting stock price change using a sentiment lexicon built from financial conference call logs. We present a method to generate a sentiment lexicon based upon an existing probabilistic approach. By using a domain-specific lexicon, we outperform traditional techniques and demonstrate that domain-specific sentiment lexicons provide higher accuracy than generic sentiment lexicons when predicting stock price change.

Keywords: Lexicon, sentiment analysis, stock movement prediction., computational finance.

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Authors: Zane Turner, Kevin Labille, Susan Gauch

Abstract:

Sentiment analysis is a broad and expanding field that aims to extract and classify opinions from textual data. Lexicon-based approaches are based on the use of a sentiment lexicon, i.e., a list of words each mapped to a sentiment score, to rate the sentiment of a text chunk. Our work focuses on predicting stock price change using a sentiment lexicon built from financial conference call logs. We introduce a method to generate a sentiment lexicon based upon an existing probabilistic approach. By using a domain-specific lexicon, we outperform traditional techniques and demonstrate that domain-specific sentiment lexicons provide higher accuracy than generic sentiment lexicons when predicting stock price change.

Keywords: Computational finance, sentiment analysis, sentiment lexicon, stock movement prediction.

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Authors: Tomoaki Hashimoto

Abstract:

Model predictive control is a kind of optimal feedback control in which control performance over a finite future is optimized with a performance index that has a moving initial time and a moving terminal time. This paper examines the stability of model predictive control for linear discrete-time systems with additive stochastic disturbances. A sufficient condition for the stability of the closed-loop system with model predictive control is derived by means of a linear matrix inequality. The objective of this paper is to show the results of computational simulations in order to verify the effectiveness of the obtained stability condition.

Keywords: Computational simulations, optimal control, predictive control, stochastic systems, discrete-time systems.

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Authors: Urska Cvek, Marjan Trutschl, Randolph Stone II, Zanobia Syed, John L. Clifford, Anita L. Sabichi

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Expression data analysis is based mostly on the statistical approaches that are indispensable for the study of biological systems. Large amounts of multidimensional data resulting from the high-throughput technologies are not completely served by biostatistical techniques and are usually complemented with visual, knowledge discovery and other computational tools. In many cases, in biological systems we only speculate on the processes that are causing the changes, and it is the visual explorative analysis of data during which a hypothesis is formed. We would like to show the usability of multidimensional visualization tools and promote their use in life sciences. We survey and show some of the multidimensional visualization tools in the process of data exploration, such as parallel coordinates and radviz and we extend them by combining them with the self-organizing map algorithm. We use a time course data set of transitional cell carcinoma of the bladder in our examples. Analysis of data with these tools has the potential to uncover additional relationships and non-trivial structures.

Keywords: microarrays, visualization, parallel coordinates, radviz, self-organizing maps.

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Authors: A. H. Azni, Madihah Mohd Saudi, Azreen Azman, Ariff Syah Johari

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Sensor Network are emerging as a new tool for important application in diverse fields like military surveillance, habitat monitoring, weather, home electrical appliances and others. Technically, sensor network nodes are limited in respect to energy supply, computational capacity and communication bandwidth. In order to prolong the lifetime of the sensor nodes, designing efficient routing protocol is very critical. In this paper, we illustrate the existing routing protocol for wireless sensor network using data centric approach and present performance analysis of these protocols. The paper focuses in the performance analysis of specific protocol namely Directed Diffusion and SPIN. This analysis reveals that the energy usage is important features which need to be taken into consideration while designing routing protocol for wireless sensor network.

Keywords: Data Centric Approach, Directed Diffusion, SPIN WSN Routing Protocol.

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Authors: Hiram I. Beltrán, Arturo Rojo-Domínguez, Máximo Eduardo Sánchez Gutiérrez, Pedro Pablo González Pérez

Abstract:

A computational platform is presented in this contribution. It has been designed as a virtual laboratory to be used for exploring optimization algorithms in biological problems. This platform is built on a blackboard-based agent architecture. As a test case, the version of the platform presented here is devoted to the study of protein folding, initially with a bead-like description of the chain and with the widely used model of hydrophobic and polar residues (HP model). Some details of the platform design are presented along with its capabilities and also are revised some explorations of the protein folding problems with different types of discrete space. It is also shown the capability of the platform to incorporate specific tools for the structural analysis of the runs in order to understand and improve the optimization process. Accordingly, the results obtained demonstrate that the ensemble of computational tools into a single platform is worthwhile by itself, since experiments developed on it can be designed to fulfill different levels of information in a self-consistent fashion. By now, it is being explored how an experiment design can be useful to create a computational agent to be included within the platform. These inclusions of designed agents –or software pieces– are useful for the better accomplishment of the tasks to be developed by the platform. Clearly, while the number of agents increases the new version of the virtual laboratory thus enhances in robustness and functionality.

Keywords: genetic algorithms, multi-agent systems, bioinformatics, optimization, protein folding, structural biology.

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Authors: Min Sun, Zhenyu Liu

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In this paper, a new descent-projection method with a new search direction for monotone structured variational inequalities is proposed. The method is simple, which needs only projections and some function evaluations, so its computational load is very tiny. Under mild conditions on the problem-s data, the method is proved to converges globally. Some preliminary computational results are also reported to illustrate the efficiency of the method.

Keywords: variational inequalities, monotone function, global convergence.

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Authors: M. Aqeel Iqbal

Abstract:

Fully customized hardware based technology provides high performance and low power consumption by specializing the tasks in hardware but lacks design flexibility since any kind of changes require re-design and re-fabrication. Software based solutions operate with software instructions due to which a great flexibility is achieved from the easy development and maintenance of the software code. But this execution of instructions introduces a high overhead in performance and area consumption. In past few decades the reconfigurable computing domain has been introduced which overcomes the traditional trades-off between flexibility and performance and is able to achieve high performance while maintaining a good flexibility. The dramatic gains in terms of chip performance and design flexibility achieved through the reconfigurable computing systems are greatly dependent on the design of their computational units being integrated with reconfigurable logic resources. The computational unit of any reconfigurable system plays vital role in defining its strength. In this research paper an RFU based computational unit design has been presented using the tightly coupled, multi-threaded reconfigurable cores. The proposed design has been simulated for VLIW based architectures and a high gain in performance has been observed as compared to the conventional computing systems.

Keywords: Configuration Stream, Configuration overhead, Configuration Controller, Reconfigurable devices.

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Authors: M.V. Shyla, K.B. Naidu

Abstract:

The objective of this paper is to develop a computational model of human nasal cavity from computed tomography (CT) scans using MIMICS software. Computational fluid dynamic techniques were employed to understand nasal airflow. Gambit and Fluent software was used to perform CFD simulation. Velocity profiles, iteration plots, pressure distribution, streamline and pathline patterns for steady, laminar airflow inside the human nasal cavity of healthy and also infected persons are presented in detail. The implications for olfaction are visualized. Results are validated with the available numerical and experimental data. The graphs reveal that airflow varies with different anatomical nasal structures and only fraction of the inspired air reaches the olfactory region. The Deviations in the results suggest that the treatment of infected volunteers will improve the olfactory function.

Keywords: CFD techniques, Finite Volume Method, Fluid dynamic sniffing, Human nasal cavity.

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Authors: Teewin Plangsrinont, Wasawat Nakkiew

Abstract:

In this study, Computational Fluid Dynamics (CFD) was utilized to simulate and predict the path of water from water soot blower through an ambient flow field in 300-megawatt tangentially burned pulverized coal boiler that utilizes a water soot blower as a cleaning device. To predict the position of the impact of water on the opposite side of the water soot blower under identical conditions, the nozzle size and water flow rate were fixed in this investigation. The simulation findings demonstrated a high degree of accuracy in predicting the direction of water flow to the boiler's water wall tube, which was validated by comparison to experimental data. Results show maximum deviation value of the water jet trajectory is 10.2%.

Keywords: Computational fluid dynamics, tangentially fired boiler, thermal power plant, water soot blower.

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Authors: Jaroslav Krutil, František Pochylý, Simona Fialová, Vladimír Habán

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A mathematical model of the additional effects of the liquid in the hydrodynamic gap is presented in the paper. An incompressible viscous fluid is considered. Based on computational modeling are determined the matrices of mass, stiffness and damping. The mathematical model is experimentally verified.

Keywords: Computational modeling, mathematical model, hydrodynamic gap, matrices of mass, stiffness and damping.

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Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

Abstract:

The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

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