Search results for: Free 2−crossed modules

Authors: Ivan C. Mustakerov, Daniela I. Borissova

Abstract:

The paper proposes an approach for design of modular systems based on original technique for modeling and formulation of combinatorial optimization problems. The proposed approach is described on the example of personal computer configuration design. It takes into account the existing compatibility restrictions between the modules and can be extended and modified to reflect different functional and users- requirements. The developed design modeling technique is used to formulate single objective nonlinear mixedinteger optimization tasks. The practical applicability of the developed approach is numerically tested on the basis of real modules data. Solutions of the formulated optimization tasks define the optimal configuration of the system that satisfies all compatibility restrictions and user requirements.

Keywords: Constrained discrete combinatorial choice, modular systems design, optimization problem, PC configuration.

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Authors: F. Soleymani, M. Sharifi

Abstract:

Most of the nonlinear equation solvers do not converge always or they use the derivatives of the function to approximate the root of such equations. Here, we give a derivative-free algorithm that guarantees the convergence. The proposed two-step method, which is to some extent like the secant method, is accompanied with some numerical examples. The illustrative instances manifest that the rate of convergence in proposed algorithm is more than the quadratically iterative schemes.

Keywords: Non-linear equation, iterative methods, derivative-free, convergence.

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Authors: Dušan Kravec, Ondrej Staš, Marián Tolnay, Michal Bachratý

Abstract:

This article gives a short preview of the new software created especially for palletizing process in automated production systems. Each chapter of this article is about problem solving in development of modules in Java programming language. First part describes structure of the software, its modules and data flow between them. Second part describes all deployment methods, which are implemented in the software. Next chapter is about twodimensional editor created for manipulation with objects in each layer of the load and gives calculations for collision control. Module of virtual reality used for three-dimensional preview and creation of the load is described in the fifth chapter. The last part of this article describes communication and data flow between control system of the robot, vision system and software.

Keywords: Palletizing, deployment methods, palletizing software, virtual reality in palletizing.

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Authors: A. Izadbakhsh, M. M. Fateh

Abstract:

A model-free robust control (MFRC) approach is proposed for position control of robot manipulators in the state space. The control approach is verified analytically to be robust subject to uncertainties including external disturbances, unmodeled dynamics, and parametric uncertainties. There is a high flexibility to work on different systems including actuators by the use of the proposed control approach. The proposed control approach can guarantee the robustness of control system. A PUMA 560 robot driven by geared permanent magnet dc motors is simulated. The simulation results show a satisfactory performance for control system under technical specifications. KeywordsModel-free, robust control, position control, PUMA 560.

Keywords: Model-free, robust control, position control, PUMA 560.

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Authors: Ivan C. Mustakerov, Daniela I. Borissova

Abstract:

In recent years, new product development became more and more competitive and globalized, and the designing phase is critical for the product success. The concept of modularity can provide the necessary foundation for organizations to design products that can respond rapidly to market needs. The paper describes data structures and algorithms of intelligent Web-based system for modular design taking into account modules compatibility relationship and given design requirements. The system intelligence is realized by developed algorithms for choice of modules reflecting all system restrictions and requirements. The proposed data structure and algorithms are illustrated by case study of personal computer configuration. The applicability of the proposed approach is tested through a prototype of Web-based system.

Keywords: Data structures, algorithms, intelligent web-based system, modular design.

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Authors: Basavaraj Vadavadagi, Satishkumar Shekhawat

Abstract:

Interstitial free steels possess better formability and have many applications in automotive industries. Forming limit diagrams (FLDs) indicate the formability of materials which can be determined by experimental and finite element (FE) simulations. FLDs were determined experimentally by LDH test, utilizing optical strain measurement system for measuring the strains in different width specimens and by FE simulations in Interstitial Free (IF) and Interstitial Free High Strength (IFHS) steels. In this study, the experimental and FE simulated FLDs are compared and also the stress based FLDs were investigated.

Keywords: Forming limit diagram, Limiting Dome Height, optical strain measurement, interstitial

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Authors: Andres G. Victorio, Montita Rungswang

Abstract:

A free-trade agreement is found to increase Thailand-s agricultural imports from New Zealand, despite the short span of time for which the agreement has been operational. The finding is described by autoregressive estimates that correct for possible unit roots in the data. The agreement-s effect upon imports is also estimated while considering an error-correction model of imports against gross domestic product.

Keywords: Agricultural imports, free trade, unit roots, cointegration, error correction.

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Authors: Himanshu Dehra

Abstract:

An experimental study was conducted for ascertaining electrical and thermal characteristics of a pair of photovoltaic (PV) modules integrated with solar wall of an outdoor room. A pre-fabricated outdoor room was setup for conducting outdoor experiments on a PV solar wall with passive and active ventilation through the outdoor room. The selective operating conditions for glass coated PV modules were utilized for establishing their electrical and thermal characteristics. The PV solar wall was made up of glass coated PV modules, a ventilated air column, and an insulating layer of polystyrene filled plywood board. The measurements collected were currents, voltages, electric power, air velocities, temperatures, solar intensities, and thermal time constant. The results have demonstrated that: i) a PV solar wall installed on a wooden frame was of more heat generating capacity in comparison to a window glass or a standalone PV module; ii) generation of electric power was affected with operation of vertical PV solar wall; iii) electrical and thermal characteristics were not significantly affected by heat and thermal storage losses; and iv) combined heat and electricity generation were function of volume of thermal and electrical resistances developed across PV solar wall. Finally, a comparison of temperature plots of passive and active ventilation envisaged that fan pressure was necessary to avoid overheating of the PV solar wall. The active ventilation was necessary to avoid over-heating of the PV solar wall and to maintain adequate ventilation of room under mild climate conditions.

Keywords: Photovoltaic solar wall, solar energy, passive ventilation, active ventilation.

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Authors: Supachai Supmak, Yachai Limpiyakorn

Abstract:

Mutation testing can be applied for the quality assessment of test cases. Prioritization of mutation test generation has been a critical element of the industry practice that would contribute to the evaluation of test cases. The industry generally delivers the product under the condition of time to the market and thus, inevitably sacrifices software testing tasks, even though many test cases are required for software verification. This paper presents an approach of applying a social network centrality measure, PageRank, to prioritize mutation test generation. The source code with the highest values of PageRank, will be focused first when developing their test cases as these modules are vulnerable for defects or anomalies which may cause the consequent defects in many other associated modules. Moreover, the approach would help identify the reducible test cases in the test suite, still maintaining the same criteria as the original number of test cases.

Keywords: Software testing, mutation test, network centrality measure, test case prioritization.

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Authors: R. Khadim, M. Erritali, A. Maaden

Abstract:

Localization of nodes is one of the key issues of Wireless Sensor Network (WSN) that gained a wide attention in recent years. The existing localization techniques can be generally categorized into two types: range-based and range-free. Compared with rang-based schemes, the range-free schemes are more costeffective, because no additional ranging devices are needed. As a result, we focus our research on the range-free schemes. In this paper we study three types of range-free location algorithms to compare the localization error and energy consumption of each one. Centroid algorithm requires a normal node has at least three neighbor anchors, while DV-hop algorithm doesn’t have this requirement. The third studied algorithm is the amorphous algorithm similar to DV-Hop algorithm, and the idea is to calculate the hop distance between two nodes instead of the linear distance between them. The simulation results show that the localization accuracy of the amorphous algorithm is higher than that of other algorithms and the energy consumption does not increase too much.

Keywords: Wireless Sensor Networks, Node Localization, Centroid Algorithm, DV–Hop Algorithm, Amorphous Algorithm.

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Authors: Nilson Barbieri, Renato Barbieri

Abstract:

–In this paper the damage in clamped-free, clampedclamped and free-free beam are analyzed considering samples without and with structural modifications. The damage location is investigated by the use of the bispectrum and wavelet analysis. The mathematical models are obtained using 2D elasticity theory and the Finite Element Method (FEM). The numerical and experimental data are approximated using the Particle Swarm Optimizer (PSO) method and this way is possible to adjust the localization and the severity of the damage. The experimental data are obtained through accelerometers placed along the sample. The system is excited using impact hammer.

Keywords: Damage, beam, PSO, bispectrum, wavelet transform

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Authors: Maja Benkovic, Ingrid Bauman

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

Keywords: flow properties, infant formula, powderedmaterial

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

Abstract:

In this paper, an analytical approach for free vibration analysis of rectangular and circular membranes 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 rectangular and circular membranes are derived. Then, these matrices are combined to provide a concise and systematic approach to free vibration analysis of membranes. Subsequently, the eigenvalue problem for free vibration of membrane is formulated and the equation of membrane natural frequencies is constructed. Finally, the effectiveness of the approach is shown by comparison of the results with existing classical solution.

Keywords: Rectangular and circular membranes, propagation matrix, reflection matrix, vibration analysis.

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Authors: E. Marei, A. Hammad, S. Ismail, A. El-Gindy

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This study aims to investigate the ability of different formula of mixed bacteria as a biological treatments of wastewater after primary treatment as a bio-treatment and bio-removal and bio-adsorbent of different heavy metals in natural circumstances. The wastewater was collected from Sarpium forest site-Ismailia Governorate, Egypt. These treatments were mixture of free cells and mixture of immobilized cells of different bacteria. These different formulas of mixed bacteria were prepared under Lab. condition. The obtained data indicated that, as a result of wastewater bio-treatment, the removal rate was found to be 76.92 and 76.70% for biological oxygen demand, 79.78 and 71.07% for chemical oxygen demand, 32.45 and 36.84 % for ammonia nitrogen as well as 91.67 and 50.0% for phosphate after 24 and 28 hrs with mixed free cells and mixed immobilized cells, respectively. Moreover, the bio-removals of different heavy metals were found to reach 90.0 and 50. 0% for Cu ion, 98.0 and 98.5% for Fe ion, 97.0 and 99.3% for Mn ion, 90.0 and 90.0% Pb, 80.0% and 75.0% for Zn ion after 24 and 28 hrs with mixed free cells and mixed immobilized cells, respectively. The results indicated that 13.86 and 17.43% of removal efficiency and reduction of total dissolved solids were achieved after 24 and 28 hrs with mixed free cells and mixed immobilized cells, respectively.

Keywords: Biological desalination, bio-sorption heavy metals, free cell bacteria, immobilized bacteria, wastewater bio-treatment.

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Authors: Dhinu Johnson, Gurdip Singh

Abstract:

Sensor network applications are often data centric and involve collecting data from a set of sensor nodes to be delivered to various consumers. Typically, nodes in a sensor network are resource-constrained, and hence the algorithms operating in these networks must be efficient. There may be several algorithms available implementing the same service, and efficient considerations may require a sensor application to choose the best suited algorithm. In this paper, we present a systematic evaluation of a set of algorithms implementing the data gathering service. We propose a modular infrastructure for implementing such algorithms in TOSSIM with separate configurable modules for various tasks such as interest propagation, data propagation, aggregation, and path maintenance. By appropriately configuring these modules, we propose a number of data gathering algorithms, each of which incorporates a different set of heuristics for optimizing performance. We have performed comprehensive experiments to evaluate the effectiveness of these heuristics, and we present results from our experimentation efforts.

Keywords: Data Centric Protocols, Shortest Paths, Sensor networks, Message passing systems.

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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: Mohammad Reza Kangavari, Samira Ghandchi, Manak Golpour

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Question answering (QA) aims at retrieving precise information from a large collection of documents. Most of the Question Answering systems composed of three main modules: question processing, document processing and answer processing. Question processing module plays an important role in QA systems to reformulate questions. Moreover answer processing module is an emerging topic in QA systems, where these systems are often required to rank and validate candidate answers. These techniques aiming at finding short and precise answers are often based on the semantic relations and co-occurrence keywords. This paper discussed about a new model for question answering which improved two main modules, question processing and answer processing which both affect on the evaluation of the system operations. There are two important components which are the bases of the question processing. First component is question classification that specifies types of question and answer. Second one is reformulation which converts the user's question into an understandable question by QA system in a specific domain. The objective of an Answer Validation task is thus to judge the correctness of an answer returned by a QA system, according to the text snippet given to support it. For validating answers we apply candidate answer filtering, candidate answer ranking and also it has a final validation section by user voting. Also this paper described new architecture of question and answer processing modules with modeling, implementing and evaluating the system. The system differs from most question answering systems in its answer validation model. This module makes it more suitable to find exact answer. Results show that, from total 50 asked questions, evaluation of the model, show 92% improving the decision of the system.

Keywords: Answer processing, answer validation, classification, question answering, query reformulation.

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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: 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: Parvinder S. Sandhu, Satish Kumar Dhiman, Anmol Goyal

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Fault-proneness of a software module is the probability that the module contains faults. A correlation exists between the fault-proneness of the software and the measurable attributes of the code (i.e. the static metrics) and of the testing (i.e. the dynamic metrics). Early detection of fault-prone software components enables verification experts to concentrate their time and resources on the problem areas of the software system under development. This paper introduces Genetic Algorithm based software fault prediction models with Object-Oriented metrics. The contribution of this paper is that it has used Metric values of JEdit open source software for generation of the rules for the classification of software modules in the categories of Faulty and non faulty modules and thereafter empirically validation is performed. The results shows that Genetic algorithm approach can be used for finding the fault proneness in object oriented software components.

Keywords: Genetic Algorithms, Software Fault, Classification, Object Oriented Metrics.

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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: 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: Sang-Yoon Lee, Jung-Mi Lee, Hyeong-Yeol Kim, Jae-Joon Song

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In this study, a longitudinal joint connection was proposed for the short-span slab-type modular bridges with rapid construction. The slab-type modular bridge consists of a number of precast slab modules and has the joint connection between the modules in the longitudinal direction of the bridge. A finite element based parameter analysis was conducted to design the shape and the dimensions of the longitudinal joint connection. Numbers of shear keys within the joint, height and depth of the shear key, tooth angle, and the spacing were considered as the design parameters. Using the local cracking load at the corner of the shear key and the cross-sectional area of the joint, an efficiency factor was proposed to evaluate the effectiveness of the longitudinal joint connection. The dimensions of shear key were determined by comparing the cracking loads and the efficiency factors obtained from the finite element analysis.

Keywords: precast, slab bridge, modular bridge, shear key

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Authors: Moustapha Bande, Hakima Ould-Slimane, Hanifa Boucheneb

Abstract:

Software development for complex systems requires efficient and automatic tools that can be used to verify the satisfiability of some critical properties such as security ones. With the emergence of Aspect-Oriented Programming (AOP), considerable work has been done in order to better modularize the separation of concerns in the software design and implementation. The goal is to prevent the cross-cutting concerns to be scattered across the multiple modules of the program and tangled with other modules. One of the key challenges in the aspect-oriented programs is to be sure that all the pieces put together at the weaving time ensure the satisfiability of the overall system requirements. Our paper focuses on this problem and proposes a formal property verification approach for a given property from the woven program. The approach is based on the control flow graph (CFG) of the woven program, and the use of a satisfiability modulo theories (SMT) solver to check whether each property (represented par one aspect) is satisfied or not once the weaving is done.

Keywords: Aspect-oriented programming, control flow graph, satisfiability modulo theories, property verification.

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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: Sobhani U. Pilapitiya, Tharanga Peiris

Abstract:

Software engineering curriculums generally consist of industry-based practices such as project-based learning (PBL) which mainly focuses on efficient and innovative product development. These approaches can be tailored and used in project-based modules in software engineering curriculums. However, there are very limited attempts in the area especially related to Sri Lankan context. This paper describes a tailored pedagogical approach and its results of using design sprint which can be used for project-based modules in software engineering (SE) curriculums. A controlled group of second year software engineering students was selected for the study. The study results indicate that all of the students agreed that the design sprint approach is effective in group-based projects and 83% of students stated that it minimized the re-work compared to traditional project approaches. The tailored process was effective, easy to implement and produced desired results at the end of the session while providing students an enjoyable experience.

Keywords: design sprint, project-based learning, software engineering, curriculum

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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: Mohamed Adel Serhani, Abdelghani Benharref, Rachida Dssouli, Rabeb Mizouni

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Nowadays, people are going more and more mobile, both in terms of devices and associated applications. Moreover, services that these devices are offering are getting wider and much more complex. Even though actual handheld devices have considerable computing power, their contexts of utilization are different. These contexts are affected by the availability of connection, high latency of wireless networks, battery life, size of the screen, on-screen or hard keyboard, etc. Consequently, development of mobile applications and their associated mobile Web services, if any, should follow a concise methodology so they will provide a high Quality of Service. The aim of this paper is to highlight and discuss main issues to consider when developing mobile applications and mobile Web services and then propose a framework that leads developers through different steps and modules toward development of efficient and secure mobile applications. First, different challenges in developing such applications are elicited and deeply discussed. Second, a development framework is presented with different modules addressing each of these challenges. Third, the paper presents an example of a mobile application, Eivom Cinema Guide, which benefits from following our development framework.

Keywords: Mobile applications, development of mobile applications, efficient mobile application, secure mobile application.

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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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