Search results for: spherical design region

Authors: Mohd Hazwan bin Yusof, Hiroshi Katanoda

Abstract:

In order to clarify the structure of the cold flow discharged from the vortex tube (VT), the pressure of the cold flow was measured, and a simple flow visualization technique using a 0.75mm-diameter needle and an oily paint is made to study the reverse flow at the cold exit. It is clear that a negative pressure and positive pressure region exist at a certain pressure and cold fraction area, and that a reverse flow is observed in the negative pressure region.

Keywords: Flow visualization, Pressure measurement, Reverse flow, Vortex tube.

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Authors: R. Abdulrahman, I. Sebastine

Abstract:

Natural gas is the most popular fossil fuel in the current era and future as well. Natural gas is existed in underground reservoirs so it may contain many of non-hydrocarbon components for instance, hydrogen sulfide, nitrogen and water vapor. These impurities are undesirable compounds and cause several technical problems for example, corrosion and environment pollution. Therefore, these impurities should be reduce or removed from natural gas stream. Khurmala dome is located in southwest Erbil-Kurdistan region. The Kurdistan region government has paid great attention for this dome to provide the fuel for Kurdistan region. However, the Khurmala associated natural gas is currently flaring at the field. Moreover, nowadays there is a plan to recover and trade this gas and to use it either as feedstock to power station or to sell it in global market. However, the laboratory analysis has showed that the Khurmala sour gas has huge quantities of H2S about (5.3%) and CO2 about (4.4%). Indeed, Khurmala gas sweetening process has been removed in previous study by using Aspen HYSYS. However, Khurmala sweet gas still contents some quintets of water about 23 ppm in sweet gas stream. This amount of water should be removed or reduced. Indeed, water content in natural gas cause several technical problems such as hydrates and corrosion. Therefore, this study aims to simulate the prospective Khurmala gas dehydration process by using Aspen HYSYS V. 7.3 program. Moreover, the simulation process succeeded in reducing the water content to less than 0.1ppm. In addition, the simulation work is also achieved process optimization by using several desiccant types for example, TEG and DEG and it also study the relationship between absorbents type and its circulation rate with HCs losses from glycol regenerator tower.

Keywords: Aspen Hysys, Process simulation, gas dehydration, process optimization.

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Authors: Said Laachir, Aziz Laaribi

Abstract:

The Helmholtz equation often arises in the study of physical problems involving partial differential equation. Many researchers have proposed numerous methods to find the analytic or approximate solutions for the proposed problems. In this work, the exact analytical solutions of the Helmholtz equation in spherical polar coordinates are presented using the Nikiforov-Uvarov (NU) method. It is found that the solution of the angular eigenfunction can be expressed by the associated-Legendre polynomial and radial eigenfunctions are obtained in terms of the Laguerre polynomials. The special case for k=0, which corresponds to the Laplace equation is also presented.

Keywords: Helmholtz equation, Nikiforov-Uvarov method, exact solutions, eigenfunctions.

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Authors: S. H. Yahaya, J. M. Ali, M. R. Arham

Abstract:

This paper presents the analysis of duct design using static and dynamic approaches. The static approach is used to find out applicability between the design and material applied. The material used in this paper is Thermoplastic Olefins (TPO). For the dynamic approach, the focusing is only on the CFD simulations. The fatigue life in this design and material applied also covered.

Keywords: CFD, structural analysis, fluid analysis, duct design, fatigue life

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Authors: Petra Horváthová, Irena Durdová

Abstract:

The article is aimed at bringing information on the scope and the level of use of talent management by organizations in one of the Czech Republic regions, in the Moravian-Silesian Region. On the basis of data acquired by a questionnaire survey it has been found out that organizations in the above-mentioned region are implementing the system of talent management on a small scale: this approach is used by 3.8 % of organizations only that is 9 from 237 (100 %) of the approached respondents. The main reasons why this approach is not used is either that organizations have no knowledge of it or there is lack of financial and personnel resources. In the article recommendations suggested by the author can be found for a wider application of talent management in the Czech practice.

Keywords: Talent, talent management, use, mind map of talent management.

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Authors: Rashid Slaheldinn Elhaj Mohammed

Abstract:

The design of high performance combustion chambers for turbojet engines is considered as one of the most challenges that face gas turbine designers, since the design approach depends on empirical correlations of data derived from the previous design experiences. The objective of this paper is to design a combustion chamber that suits the requirements of a micro-turbojet engine with 400 N output thrust and operates with kerosene as fuel. In this paper, only preliminary calculations related to the annular type of combustion chamber are explained in details. These calculations will cover the evaluation of reference quantities, calculation of required dimensions, calculation of air distribution and pressure drop, estimation of number and diameters for air admission holes, as well as aerodynamic considerations. The design process is then accompanied by analytical procedure using commercial CFD ANALYSIS tool; ANSYS 16 CFX software. After conducting CFD analysis, the design process will be then iterated in order to gain satisfactory results. It should be noted that the design of the fuel preparation and installation systems is beyond the scope of this work, and it will be discussed separately in another work.  

Keywords: Annular combustion chamber, micro-turbojet engine, CFD ANALYSIS, pressure drop.

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Authors: M. Abouelatta, A. Shaker, M. El-Banna, G. T. Sayah, C. Gontrand, A. Zekry

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In this paper, a methodology for physically modeling the intrinsic MOS part and the drift region of the n-channel Laterally Double-diffused MOSFET (LDMOS) is presented. The basic physical effects like velocity saturation, mobility reduction, and nonuniform impurity concentration in the channel are taken into consideration. The analytical model is implemented using MATLAB. A comparison of the simulations from technology computer aided design (TCAD) and that from the proposed analytical model, at room temperature, shows a satisfactory accuracy which is less than 5% for the whole voltage domain.

Keywords: LDMOS, MATLAB, RESURF, modeling, TCAD.

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Authors: Imelda Smit

Abstract:

Systems Analysis and Design is a key subject in Information Technology courses, but students do not find it easy to cope with, since it is not “precise" like programming and not exact like Mathematics. It is a subject working with many concepts, modeling ideas into visual representations and then translating the pictures into a real life system. To complicate matters users who are not necessarily familiar with computers need to give their inputs to ensure that they get the system the need. Systems Analysis and Design also covers two fields, namely Analysis, focusing on the analysis of the existing system and Design, focusing on the design of the new system. To be able to test the analysis and design of a system, it is necessary to develop a system or at least a prototype of the system to test the validity of the analysis and design. The skills necessary in each aspect differs vastly. Project Management Skills, Database Knowledge and Object Oriented Principles are all necessary. In the context of a developing country where students enter tertiary education underprepared and the digital divide is alive and well, students need to be motivated to learn the necessary skills, get an opportunity to test it in a “live" but protected environment – within the framework of a university. The purpose of this article is to improve the learning experience in Systems Analysis and Design through reviewing the underlying teaching principles used, the teaching tools implemented, the observations made and the reflections that will influence future developments in Systems Analysis and Design. Action research principles allows the focus to be on a few problematic aspects during a particular semester.

Keywords: Action Research, Project Development, Systems Analysis and Design, Technology in Teaching.

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Authors: Mingaleva Zhanna, Kapuskina Tatiana

Abstract:

The article touches upon questions of information security in Russian Economy. It covers theoretical bases of information security and causes of its development. The theory is proved by the analysis of business activities and the main tendencies of information security development. Perm region has been chosen as the bases for the analysis, being the fastestdeveloping region that uses methods of information security in managing it economy. As a result of the study the authors of the given article have formulated their own vision of the problem of information security in various branches of economy and stated prospects of information security development and its growing role in Russian economy

Keywords: security of business, management of information security, institutional analyses.

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Authors: Ya-Ling Huang, Ming-Chun Tsai, Fan Hsu, Kai-Ru Hsieh

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This paper mainly discusses the research and practice process of a laboratory curriculum by leading students to perform field investigation into time-honoured shops that have existed for more than 50 years in the downtown area of Tainan, Taiwan, and then search again for design elements and completing the design. The participants are juniors from the Department of Visual Communication Design, Kun Shan University. The duration of research and practice is two months. Operators of these shops are invited to jointly appraise the final achievements. 9 works out of 27 are chosen for final exhibition and commercialization.

Keywords: Culture creative industry, visual communication design, curriculum experimental.

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Authors: Manoj Majhi, Debkumar Chakrabaty

Abstract:

The objective of the paper was to understand the use of an important element of design, namely color in a Semiotic system. Semiotics is the study of signs and sign processes, it is often divided into three branches namely (i) Semantics that deals with the relation between signs and the things to which they refer to mean, (ii) Syntactics which addresses the relations among signs in formal structures and (iii) Pragmatics that relates between signs and its effects on they have on the people who use them to create a plan for an object or a system referred to as design. Cubism with its versatility was the key design tool prevalent across the 20th century. In order to analyze the user's understanding of interaction and appreciation of color through the movement of Cubism, an exercise was undertaken in Dept. of Design, IIT Guwahati. This included tasks to design a composition using color and sign process to the theme 'Between the Lines' on a given tessellation where the users relate their work to the world they live in, which in this case was the college campus of IIT Guwahati. The findings demonstrate impact of the key design element color on the principles of visual perception based on image analysis of specific compositions.

Keywords: Color in Semiotics, Cubism and novice designer, visual perception, multimedia and communication.

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Authors: Ali E. Abbas

Abstract:

Industrial Engineering is a broad multidisciplinary field with intersections and applications in numerous areas. When designing a product, it is important to determine the appropriate attributes of value and the preference function for which the product is optimized. This paper provides some guidelines on appropriate selection of attributes for preference and value functions for engineering design.

Keywords: Decision analysis, engineering design, direct vs. indirect values.

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Authors: Tejinder Singh

Abstract:

When earthquakes strike the city it results in great loss of lives. The present paper talks about a new innovative design system (MegEifel) for buildings which has a mechanism to mitigate deaths in case any earthquake strikes the city. If buildings will be designed according to MegEifel design then the occupants of the building will be safe even when they are in sleep or are doing day wise activities during the time earthquake strikes. The core structure is suggested to be designed on the principle that more deep the foundations are, the harder it is to uproot the structure. The buildings will have an Eifel rod dug deep into earth which will help save lives in tall buildings when earthquake strikes. This design takes a leverage of protective shells to save lives.

Keywords: Structure, MegEifel, Save, Life, Earthquake, Design

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Authors: F. Barzegar, M. H. Sheikhi

Abstract:

In the present work we model a Multiquantum Well structure Separate Absorption and Charge Multiplication Avalanche Photodiode (MQW-SACM-APD), while the Absorption region coincide with the MQW. We consider the nonuniformity of electric field using split-step method in active region. This model is based on the carrier rate equations in the different regions of the device. Using the model we obtain the photocurrent, and dark current. As an example, InGaAs/InP SACM-APD and MQW-SACM-APD are simulated. There is a good agreement between the simulation and experimental results.

Keywords: Avalanche Photodiode, Physical Model, MultiquantumWell, Split Step Method.

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Authors: Abdelsalam Omran Gebril, Ali Gh Saeid

Abstract:

Grazing and pastoral overloading through human factors result in significant land desertification. Failure to take into account the phenomenon of desertification as a serious problem can lead to an environmental disaster because of the damages caused by land encroachment. Therefore, soil on residential and urban areas is affected because of the deterioration of vegetation. Overgrazing or grazing in open and irregular lands is practiced in these areas almost throughout the year, especially during the growth cycle of edible plants, thereby leading to their disappearance. In addition, the large number of livestock in these areas exceeds the capacity of these pastures because of pastoral land overloading, which results in deterioration and desertification in the region. In addition, rare plants, the extinction of some edible plants in the region, and the emergence of plants unsuitable for grazing, must be taken into consideration, as along with the emergence of dust and sand storms during the dry seasons (summer to autumn) due to the degradation of vegetation. These results show that strategic plans and regulations that protect the environment from desertification must be developed. Therefore, increased pastoral load is a key human factor in the deterioration of vegetation cover, leading to land desertification in this region.

Keywords: Overloading, pastoral, grazing, desertification, Libya

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Authors: Melih Turgut, Süha Yılmaz

Abstract:

In this paper, first, a characterization of spherical Pseudo null curves in Semi-Euclidean space is given. Then, to investigate position vector of a pseudo null curve, a system of differential equation whose solution gives the components of the position vector of a pseudo null curve on the Frenet axis is established by means of Frenet equations. Additionally, in view of some special solutions of mentioned system, characterizations of some special pseudo null curves are presented.

Keywords: Semi-Euclidean Space, Pseudo Null Curves, Position Vectors.

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Authors: C. Thanga Raj, S. P. Srivastava, Pramod Agarwal

Abstract:

This paper presents an optimal design of poly-phase induction motor using Quadratic Interpolation based Particle Swarm Optimization (QI-PSO). The optimization algorithm considers the efficiency, starting torque and temperature rise as objective function (which are considered separately) and ten performance related items including harmonic current as constraints. The QI-PSO algorithm was implemented on a test motor and the results are compared with the Simulated Annealing (SA) technique, Standard Particle Swarm Optimization (SPSO), and normal design. Some benchmark problems are used for validating QI-PSO. From the test results QI-PSO gave better results and more suitable to motor-s design optimization. Cµ code is used for implementing entire algorithms.

Keywords: Design, harmonics, induction motor, particle swarm optimization

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Authors: Kenny Raharjo, Ramon Lawrence

Abstract:

Game designers have the challenging task of building games that engage players to spend their time and money on the game. There are an infinite number of game variations and design choices, and it is hard to systematically determine game design choices that will have positive experiences for players. In this work, we demonstrate how multi-arm bandits can be used to automatically explore game design variations to achieve improved player metrics. The advantage of multi-arm bandits is that they allow for continuous experimentation and variation, intrinsically converge to the best solution, and require no special infrastructure to use beyond allowing minor game variations to be deployed to users for evaluation. A user study confirms that applying multi-arm bandits was successful in determining the preferred game variation with highest play time metrics and can be a useful technique in a game designer's toolkit.

Keywords: Game design, multi-arm bandit, design exploration and data mining, player metric optimization and analytics.

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Authors: Marita Canina, Carmen Bruno

Abstract:

Digital Do It Yourself (DIY) is a contemporary socio-technological phenomenon, enabled by technological tools. The nature and potential long-term effects of this phenomenon have been widely studied within the framework of the EU funded project ‘Digital Do It Yourself’, in which the authors have created and experimented a specific Digital Do It Yourself (DiDIY) co-design process. The phenomenon was first studied through a literature research to understand its multiple dimensions and complexity. Therefore, co-design workshops were used to investigate the phenomenon by involving people to achieve a complete understanding of the DiDIY practices and its enabling factors. These analyses allowed the definition of the DiDIY fundamental factors that were then translated into a design tool. The objective of the tool is to shape design concepts by transferring these factors into different environments to achieve innovation. The aim of this paper is to present the ‘DiDIY Factor Stimuli’ tool, describing the research path and the findings behind it.

Keywords: Co-design process, digital DIY, innovation, toolkit.

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Authors: Gamal Darwish, Ahmed ElShafee, Dina Darwish

Abstract:

This paper proposes the requirements and design of RFID based system for SFC (Shop Floor Control) in order to achieve the factory real time controllability, Allowing to develop EManufacturing System. The detailed logical specifications of the core functions and the design diagrams of RFID based system are developed. Then RFID deployment in E-Manufacturing systems is investigated..

Keywords: RFID, E-Manufacturing System, Requirementsspecifications, Design Diagrams, real time controllability.

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Authors: Javier Rivas, Olga Gimeno, Maria Carbajo, Teresa Borralho

Abstract:

The elimination of ranitidine (a pharmaceutical compound) has been carried out in the presence of UV-C radiation. After some preliminary experiments, it has been experienced the no influence of the gas nature (air or oxygen) bubbled in photolytic experiments. From simple photolysis experiments the quantum yield of this compound has been determined. Two photolytic approximation has been used, the linear source emission in parallel planes and the point source emission in spherical planes. The quantum yield obtained was in the proximity of 0.05 mol Einstein-1 regardless of the method used. Addition of free radical promoters (hydrogen peroxide) increases the ranitidine removal rate while the use of photocatalysts (TiO2) negatively affects the process.

Keywords: Quantum yield, photolysis, ranitidine, watertreatment.

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Authors: Nasser Mozayani, Maryam Barzegar, Hoda Madani

Abstract:

Vehicular communications play a substantial role in providing safety in transportation by means of safety message exchange. Researchers have proposed several solutions for securing safety messages. Protocols based on a fixed key infrastructure are more efficient in implementation and maintain stronger security in comparison with dynamic structures. These protocols utilize zone partitioning to establish distinct key infrastructure under Certificate Authority (CA) supervision in different regions. Secure anonymous broadcasting (SAB) is one of these protocols that preserves most of security aspects but it has some deficiencies in practice. A very important issue is region change of a vehicle for its mobility. Changing regions leads to change of CA and necessity of having new key set to resume communication. In this paper, we propose solutions for informing vehicles about region change to obtain new key set before entering next region. This hinders attackers- intrusion, packet loss and lessons time delay. We also make key request messages secure by confirming old CA-s public key to the message, hence stronger security for safety message broadcasting is attained.

Keywords: Secure broadcasting, Certificate authority (CA), Key exchange, Vehicular network.

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Authors: S. H. Yahaya, J. M. Ali, T.A. Abdullah

Abstract:

The exploration of this paper will focus on the Cshaped transition curve. This curve is designed by using the concept of circle to circle where one circle lies inside other. The degree of smoothness employed is curvature continuity. The function used in designing the C-curve is Bézier-like cubic function. This function has a low degree, flexible for the interactive design of curves and surfaces and has a shape parameter. The shape parameter is used to control the C-shape curve. Once the C-shaped curve design is completed, this curve will be applied to design spur gear tooth. After the tooth design procedure is finished, the design will be analyzed by using Finite Element Analysis (FEA). This analysis is used to find out the applicability of the tooth design and the gear material that chosen. In this research, Cast Iron 4.5 % Carbon, ASTM A-48 is selected as a gear material.

Keywords: Bézier-like cubic function, Curvature continuity, Cshapedtransition curve, Spur gear tooth.

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Authors: Swarniv Chandra, Sibarjun Das, Agniv Chandra, Basudev Ghosh, Apratim Jash

Abstract:

Using the quantum hydrodynamic (QHD) model the nonlinear properties of ion-acoustic waves in are lativistically degenerate quantum plasma is investigated by deriving a nonlinear Spherical Kadomtsev–Petviashvili (SKP) equation using the standard reductive perturbation method equation. It was found that the electron degeneracy parameter significantly affects the linear and nonlinear properties of ion-acoustic waves in quantum plasma.

Keywords: Kadomtsev-Petviashvili equation, Ion-acoustic Waves, Relativistic Degeneracy, Quantum Plasma, Quantum Hydrodynamic Model.

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Authors: Claudia L. Zuñiga, Andres F. Millan, Jose L. Abadia, Monica Lora, Andres Navarro, Juan C. Burguillo, Pedro S. Rodriguez

Abstract:

The increasing popularity of wireless technologies and mobile computing devices has enabled new application areas and research. One of these new areas is pervasive systems in urban environments, because urban environments are characterized by high concentration of these technologies and devices. In this paper we will show the process of pervasive system design in urban environments, using as use case a local zoo in Cali, Colombia. Based on an ethnographic studio, we present the design of a pervasive system for urban computing based on service oriented architecture to controlled environment of Cali Zoo. In this paper, the reader will find a methodological approach for the design of similar systems, using data collection methods, conceptual frameworks for urban environments and considerations of analysis and design of service oriented systems.

Keywords: Service Oriented Architecture, Urban Computing, Design of pervasive systems for urban environments, PSP Design Framework (Public Social Private), Cali Zoo.

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Authors: V.Fathipour, M. A. Malakootian, S. Fathipour, M. Fathipour

Abstract:

In this paper we propose a novel RF LDMOS structure which employs a thin strained silicon layer at the top of the channel and the N-Drift region. The strain is induced by a relaxed Si0.8 Ge0.2 layer which is on top of a compositionally graded SiGe buffer. We explain the underlying physics of the device and compare the proposed device with a conventional LDMOS in terms of energy band diagram and carrier concentration. Numerical simulations of the proposed strained silicon laterally diffused MOS using a 2 dimensional device simulator indicate improvements in saturation and linear transconductance, current drivability, cut off frequency and on resistance. These improvements are however accompanied with a suppression in the break down voltage.

Keywords: High Frequency MOSFET, Design of RF LDMOS, Strained-Silicon, LDMOS.

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Authors: A. Ukaew, C. Chauypen

Abstract:

Design concepts of real-time embedded system can be realized initially by introducing novel design approaches. In this literature, model based design approach and in-the-loop testing were employed early in the conceptual and preliminary phase to formulate design requirements and perform quick real-time verification. The design and analysis methodology includes simulation analysis, model based testing, and in-the-loop testing. The design of conceptual driveby- wire, or DBW, algorithm for electronic control unit, or ECU, was presented to demonstrate the conceptual design process, analysis, and functionality evaluation. The concepts of DBW ECU function can be implemented in the vehicle system to improve electric vehicle, or EV, conversion drivability. However, within a new development process, conceptual ECU functions and parameters are needed to be evaluated. As a result, the testing system was employed to support conceptual DBW ECU functions evaluation. For the current setup, the system components were consisted of actual DBW ECU hardware, electric vehicle models, and control area network or CAN protocol. The vehicle models and CAN bus interface were both implemented as real-time applications where ECU and CAN protocol functionality were verified according to the design requirements. The proposed system could potentially benefit in performing rapid real-time analysis of design parameters for conceptual system or software algorithm development.

Keywords: Drive-by-wire ECU, in-the-loop testing, modelbased design, real-time embedded system.

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Authors: Regine W. Vroom, Lysanne E. Vossen, Anoek M. Geers

Abstract:

Industrial design engineering is an information and knowledge intensive job. Although Wikipedia offers a lot of this information, design engineers are better served with a wiki tailored to their job, offering information in a compact manner and functioning as a design tool. For that reason WikID has been developed. However for the viability of a wiki, an active user community is essential. The main subject of this paper is a study to the influence of the communication and the contents of WikID on the user-s willingness to contribute. At first the theory about a website-s first impression, general usability guidelines and user motivation in an online community is studied. Using this theory, the aspects of the current site are analyzed on their suitability. These results have been verified with a questionnaire amongst 66 industrial design engineers (or students industrial design engineering). The main conclusion is that design engineers are enchanted with the existence of WikID and its knowledge structure (taxonomy) but this structure has not become clear without any guidance. In other words, the knowledge structure is very helpful for inspiring and guiding design engineers through their tailored knowledge domain in WikID but this taxonomy has to be better communicated on the main page. Thereby the main page needs to be fitted more to the target group preferences.

Keywords: Industrial Design Engineering Knowledge, SemanticWiki, User Willingness to Contribute Knowledge to a Wiki, Influence of Website Content to User Activation.

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Authors: Geng Xiangren, Liu Lei, Gui Ye-Wei, Tang Wei, Wang An-ling

Abstract:

The malfunction of thermal protection system (TPS) caused by aerodynamic heating is a latent trouble to aircraft structure safety. Accurately predicting the structure temperature field is quite important for the TPS design of hypersonic vehicle. Since Thornton’s work in 1988, the coupled method of aerodynamic heating and heat transfer has developed rapidly. However, little attention has been paid to the influence of structural deformation on aerodynamic heating and structural temperature field. In the flight, especially the long-endurance flight, the structural deformation, caused by the aerodynamic heating and temperature rise, has a direct impact on the aerodynamic heating and structural temperature field. Thus, the coupled interaction cannot be neglected. In this paper, based on the method of static aero-thermo-elasticity, considering the influence of aero-thermo-elasticity deformation, the aerodynamic heating and heat transfer coupled results of hypersonic vehicle wing model were calculated. The results show that, for the low-curvature region, such as fuselage or center-section wing, structure deformation has little effect on temperature field. However, for the stagnation region with high curvature, the coupled effect is not negligible. Thus, it is quite important for the structure temperature prediction to take into account the effect of elastic deformation. This work has laid a solid foundation for improving the prediction accuracy of the temperature distribution of aircraft structures and the evaluation capacity of structural performance.

Keywords: Aero-thermo-elasticity, elastic deformation, structural temperature, multi-field coupling.

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Authors: Nurul Bahiyah Ahmad Khairudin, Habibah A Wahab

Abstract:

A new approach to predict the 3D structures of proteins by combining the knowledge-based method and Molecular Dynamics Simulation is presented on the chicken villin headpiece subdomain (HP-36). Comparative modeling is employed as the knowledge-based method to predict the core region (Ala9-Asn28) of the protein while the remaining residues are built as extended regions (Met1-Lys8; Leu29-Phe36) which then further refined using Molecular Dynamics Simulation for 120 ns. Since the core region is built based on a high sequence identity to the template (65%) resulting in RMSD of 1.39 Å from the native, it is believed that this well-developed core region can act as a 'nucleation center' for subsequent rapid downhill folding. Results also demonstrate that the formation of the non-native contact which tends to hamper folding rate can be avoided. The best 3D model that exhibits most of the native characteristics is identified using clustering method which then further ranked based on the conformational free energies. It is found that the backbone RMSD of the best model compared to the NMR-MDavg is 1.01 Å and 3.53 Å, for the core region and the complete protein, respectively. In addition to this, the conformational free energy of the best model is lower by 5.85 kcal/mol as compared to the NMR-MDavg. This structure prediction protocol is shown to be effective in predicting the 3D structure of small globular protein with a considerable accuracy in much shorter time compared to the conventional Molecular Dynamics simulation alone.

Keywords: 3D model, Chicken villin headpiece subdomain, Molecular dynamic simulation NMR-MDavg, RMSD.

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