Search results for: Non Functional Requirements

Authors: Shimal Das, Dibyendu Ghoshal

Abstract:

The effect of directional search using iterated functional system has been studied on four images taken from databases. The images are portioned successively towards smaller dimension. Presented method provides the faster rate of convergence with respect to processing time in the flat region, but the same has been found to be slower at the border of the images and edges. It has also been revealed that the PSNR is lower at the edges and border portions of the image, and it is found to be higher in the uniform gray region, under the same external illumination and external noise environment.

Keywords: Iterated functional system, fractal compression, structural similarity index measure, fractal block coding, affine transformations.

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Authors: L. Bikulciene, E. Venskaityte, G. Jarusevicius

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Nonstationary and nonlinear signals generated by living complex systems defy traditional mechanistic approaches, which are based on homeostasis. Previous our studies have shown that the evaluation of the interactions of physiological signals by using special analysis methods is suitable for observation of physiological processes. It is demonstrated the possibility of using deep physiological model, based on the interpretation of the changes of the human body’s functional states combined with an application of the analytical method based on matrix theory for the physiological signals analysis, which was applied on high risk cardiac patients. It is shown that evaluation of cardiac signals interactions show peculiar for each individual functional changes at the onset of hemodynamic restoration procedure. Therefore, we suggest that the alterations of functional state of the body, after patients overcome surgery can be complemented by the data received from the suggested approach of the evaluation of functional variables’ interactions.

Keywords: Cardiac diseases, Complex systems theory, ECG analysis, matrix analysis.

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Authors: Xianqing Liu, Shouming Zhong, Fuli Zhong, Zijian Liu

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In this paper, a stochastic predator-prey system with Holling II functional response is studied. First, we show that there is a unique positive solution to the system for any given positive initial value. Then, stochastically bounded of the positive solution to the stochastic system is derived. Moreover, sufficient conditions for global asymptotic stability are also established. In the end, some simulation figures are carried out to support the analytical findings.

Keywords: stochastically bounded, global stability, Holling II functional response, white noise, Markovian switching.

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Authors: Jerzy Nogiec, Kelley Trombly-Freytag, Shangping Ren

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The promises of component-based technology can only be fully realized when the system contains in its design a necessary level of separation of concerns. The authors propose to focus on the concerns that emerge throughout the life cycle of the system and use them as an architectural foundation for the design of a component-based framework. The proposed model comprises a set of superimposed views of the system describing its functional and non-functional concerns. This approach is illustrated by the design of a specific framework for data analysis and data acquisition and supplemented with experiences from using the systems developed with this framework at the Fermi National Accelerator Laboratory.

Keywords: Distributed system, component-based technology, separation of concerns, software development, supervisory and control, QoS

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Authors: Toshiyuki Satoh, Hiroki Hara, Naoki Saito, Jun-ya Nagase, Norihiko Saga

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This paper addresses a control system design for a table drive system based on the disturbance observer (DOB)-based predictive functional critical control (PFCC). To empower the previously developed DOB-based PFC to handle constraints on controlled outputs, we propose to take a critical control approach. To this end, we derive the transfer function representation of the PFC controller and yield a detailed design procedure. The effectiveness of the proposed method is confirmed through an experimental evaluation.

Keywords: Critical control, disturbance observer, mechatronics, motion control, predictive functional control, table drive systems.

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Authors: Daniel Kliewe, Arno Kühn, Roman Dumitrescu, Jürgen Gausemeier

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This paper examines the system protection for cyber-physical systems (CPS). CPS are particularly characterized by their networking system components. This means they are able to adapt to the needs of their users and its environment. With this ability, CPS have new, specific requirements on the protection against anti-counterfeiting, know-how loss and manipulation. They increase the requirements on system protection because piracy attacks can be more diverse, for example because of an increasing number of interfaces or through the networking abilities. The new requirements were identified and in a next step matched with existing protective measures. Due to the found gap the development of new protection measures has to be forced to close this gap. Moreover a comparison of the effectiveness between selected measures was realized and the first results are presented in this paper.

Keywords: Anti-counterfeiting, cyber physical systems, Intellectual property (IP) and knowledge management, system protection.

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Authors: Jiri F. Urbanek, Jiri Barta, Oldrich Svoboda, Jiri J. Urbanek

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The organizations of European and Czech critical infrastructure have specific position, mission, characteristics and behaviour in European Union and Czech state/business environments, regarding specific requirements for regional and global security environments. They must respect policy of national security and global rules, requirements and standards in all their inherent and outer processes of supply - customer chains and networks. A controlling is generalized capability to have control over situational policy. This paper aims and purposes are to introduce the controlling as quite new necessary process attribute providing for critical infrastructure is environment the capability and profit to achieve its commitment regarding to the effectiveness of the quality management system in meeting customer/ user requirements and also the continual improvement of critical infrastructure organization’s processes overall performance and efficiency, as well as its societal security via continual planning improvement via DYVELOP modelling.

Keywords: Added Value, DYVELOP, Controlling, Environments, Process Approach.

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Authors: Asadollah Boshra, Ahmad Seif, Mehran Aghaei

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A model of (4, 4) single-walled boron-nitride nanotube as a representative of armchair boron-nitride nanotubes studied. At first the structure optimization performed and then Nuclear Magnetic Resonance parameters (NMR) by Density Functional Theory (DFT) method at 11B and 15N nuclei calculated. Resulted parameters evaluation presents electrostatic environment heterogeneity along the nanotube and especially at the ends but the nuclei in a layer feel the same electrostatic environment. All of calculations carried out using Gaussian 98 Software package.

Keywords: Boron-nitride nanotube, Density Functional Theory, Nuclear Magnetic Resonance (NMR).

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Authors: Fan Li, Chun-Hsien Chen, Li Pheng Khoo

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Operators of vessel traffic service (VTS) center provides three different types of services; namely information service, navigational assistance and traffic organization to vessels. To provide these services, operators monitor vessel traffic through computer interface and provide navigational advice based on the information integrated from multiple sources, including automatic identification system (AIS), radar system, and closed circuit television (CCTV) system. Therefore, this information is crucial in VTS operation. However, what information the VTS operator actually need to efficiently and properly offer services is unclear. The aim of this study is to investigate into information requirements for VTS operation. To achieve this aim, field observation was carried out to elicit the information requirements for VTS operation. The study revealed that the most frequent and important tasks were handling arrival vessel report, potential conflict control and abeam vessel report. Current location and vessel name were used in all tasks. Hazard cargo information was particularly required when operators handle arrival vessel report. The speed, the course, and the distance of two or several vessels were only used in potential conflict control. The information requirements identified in this study can be utilized in designing a human-computer interface that takes into consideration what and when information should be displayed, and might be further used to build the foundation of a decision support system for VTS.

Keywords: Vessel traffic service, information requirements, hierarchy task analysis, field observation.

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Authors: Michiko Miyamoto

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The market for "functional foods" and "foods with functional claims" that are effective in maintaining and improving health, has expanded year by year due to the entry of major food and beverage manufacturers following the introduction of the specified health food system in 1991 in Japan. To bring health claims related products or services to the market, it is necessary to let consumers to learn about these products or services; an effective marketing through advertising are important. This research proposes a framework for an effective advertisement medium for the food supplement industry by using survey data of 2,500 people.

Keywords: Functional foods, dietary supplements, marketing strategy, structural equation modeling.

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Authors: Yingjie Zhang

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This paper is concerned with an improved algorithm based on the piecewise-smooth Mumford and Shah (MS) functional for an efficient and reliable segmentation. In order to speed up convergence, an additional force, at each time step, is introduced further to drive the evolution of the curves instead of only driven by the extensions of the complementary functions u + and u - . In our scheme, furthermore, the piecewise-constant MS functional is integrated to generate the extra force based on a temporary image that is dynamically created by computing the union of u + and u - during segmenting. Therefore, some drawbacks of the original algorithm, such as smaller objects generated by noise and local minimal problem also are eliminated or improved. The resulting algorithm has been implemented in Matlab and Visual Cµ, and demonstrated efficiently by several cases.

Keywords: Active contours, energy minimization, image segmentation, level sets.

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Authors: Yalong Jiang, Zheru Chi

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In this paper, we study the factors which determine the capacity of a Convolutional Neural Network (CNN) model and propose the ways to evaluate and adjust the capacity of a CNN model for best matching to a specific pattern recognition task. Firstly, a scheme is proposed to adjust the number of independent functional units within a CNN model to make it be better fitted to a task. Secondly, the number of independent functional units in the capsule network is adjusted to fit it to the training dataset. Thirdly, a method based on Bayesian GAN is proposed to enrich the variances in the current dataset to increase its complexity. Experimental results on the PASCAL VOC 2010 Person Part dataset and the MNIST dataset show that, in both conventional CNN models and capsule networks, the number of independent functional units is an important factor that determines the capacity of a network model. By adjusting the number of functional units, the capacity of a model can better match the complexity of a dataset.

Keywords: CNN, capsule network, capacity optimization, character recognition, data augmentation; semantic segmentation.

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Authors: Kaihong Zhao, Jiuqing Liu

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In this letter, we considers a delayed predatory-prey system with Holling type II functional response. Under some sufficient conditions, the existence of multiple positive periodic solutions is obtained by using Mawhin’s continuation theorem of coincidence degree theory. An example is given to illustrate the effectiveness of our results.

Keywords: Multiple positive periodic solutions, Predatory-prey system, Coincidence degree, Holling type II functional response.

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Authors: A. Ukaew, C. Chauypen

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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: S. Pattanapairoj, D. Chetchotsak

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This paper proposed classification models that would be used as a proxy for hard disk drive (HDD) functional test equitant which required approximately more than two weeks to perform the HDD status classification in either “Pass" or “Fail". These models were constructed by using committee network which consisted of a number of single neural networks. This paper also included the method to solve the problem of sparseness data in failed part, which was called “enforce learning method". Our results reveal that the constructed classification models with the proposed method could perform well in the sparse data conditions and thus the models, which used a few seconds for HDD classification, could be used to substitute the HDD functional tests.

Keywords: Sparse data, Classifications, Committee network

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Authors: Eun-Geun Kim, Won-Pil Park, Dae-Gon Woo, Chang-Yong Ko, Yong-Heum Lee, Dohyung Lim, Tae-Min Shin, Han-Sung Kim, Gyoun-Jung Lee

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Functional gastrointestinal disorders affect millions of people spread all age regardless of race and sex. There are, however, rare diagnostic methods for the functional gastrointestinal disorders because functional disorders show no evidence of organic and physical causes. Our research group identified recently that the gastrointestinal tract well in the patients with the functional gastrointestinal disorders becomes more rigid than healthy people when palpating the abdominal regions overlaying the gastrointestinal tract. Aim of this study is, therefore, to develop a diagnostic system for the functional gastrointestinal disorders based on ultrasound technique, which can quantify the characteristic above related to the rigidity of the gastrointestinal tract well. Ultrasound system was designed. The system consisted of transmitter, ultrasonic transducer, receiver, TGC, and CPLD, and verified via a phantom test. For the phantom test, ten soft-tissue specimens were harvested from porcine. Five of them were then treated chemically to mimic a rigid condition of gastrointestinal tract well, which was induced by functional gastrointestinal disorders. Additionally, the specimens were tested mechanically to identify if the mimic was reasonable. The customized ultrasound system was finally verified through application to human subjects with/without functional gastrointestinal disorders (Normal and Patient Groups). It was identified from the mechanical test that the chemically treated specimens were more rigid than normal specimen. This finding was favorably compared with the result obtained from the phantom test. The phantom test also showed that ultrasound system well described the specimen geometric characteristics and detected an alteration in the specimens. The maximum amplitude of the ultrasonic reflective signal in the rigid specimens (0.2±0.1Vp-p) at the interface between the fat and muscle layers was explicitly higher than that in the normal specimens (0.1±0.0Vp-p). Clinical tests using our customized ultrasound system for human subject showed that the maximum amplitudes of the ultrasonic reflective signals near to the gastrointestinal tract well for the patient group (2.6±0.3Vp-p) were generally higher than those in normal group (0.1±0.2Vp-p). Here, maximum reflective signals was appeared at 20mm depth approximately from abdominal skin for all human subjects, corresponding to the location of the boundary layer close to gastrointestinal tract well. These results suggest that newly designed diagnostic system based on ultrasound technique may diagnose enough the functional gastrointestinal disorders.

Keywords: Functional Gastrointestinal Disorders, DiagnosticSystem, Phantom Test, Ultrasound System.

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Authors: Ashok Kumar Goel, Suresh Chandra Saxena, Surekha Bhanot

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In this work, a Modified Functional Link Artificial Neural Network (M-FLANN) is proposed which is simpler than a Multilayer Perceptron (MLP) and improves upon the universal approximation capability of Functional Link Artificial Neural Network (FLANN). MLP and its variants: Direct Linear Feedthrough Artificial Neural Network (DLFANN), FLANN and M-FLANN have been implemented to model a simulated Water Bath System and a Continually Stirred Tank Heater (CSTH). Their convergence speed and generalization ability have been compared. The networks have been tested for their interpolation and extrapolation capability using noise-free and noisy data. The results show that M-FLANN which is computationally cheap, performs better and has greater generalization ability than other networks considered in the work.

Keywords: DLFANN, FLANN, M-FLANN, MLP

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Authors: M. Bohlouli, M. Analoui

Abstract:

For complete support of Quality of Service, it is better that environment itself predicts resource requirements of a job by using special methods in the Grid computing. The exact and correct prediction causes exact matching of required resources with available resources. After the execution of each job, the used resources will be saved in the active database named "History". At first some of the attributes will be exploit from the main job and according to a defined similarity algorithm the most similar executed job will be exploited from "History" using statistic terms such as linear regression or average, resource requirements will be predicted. The new idea in this research is based on active database and centralized history maintenance. Implementation and testing of the proposed architecture results in accuracy percentage of 96.68% to predict CPU usage of jobs and 91.29% of memory usage and 89.80% of the band width usage.

Keywords: Active Database, Grid Computing, ResourceRequirement Prediction, Scheduling,

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Authors: Carlo Bruni, Francesco Delli Priscoli, Giorgio Koch, Ilaria Marchetti

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This paper proposes an innovative approach for the Connection Admission Control (CAC) problem. Starting from an abstract network modelling, the CAC problem is formulated in a technology independent fashion allowing the proposed concepts to be applied to any wireless and wired domain. The proposed CAC is decoupled from the other Resource Management procedures, but cooperates with them in order to guarantee the desired QoS requirements. Moreover, it is based on suitable performance measurements which, by using proper predictors, allow to forecast the domain dynamics in the next future. Finally, the proposed CAC control scheme is based on a feedback loop aiming at maximizing a suitable performance index accounting for the domain throughput, whilst respecting a set of constraints accounting for the QoS requirements.

Keywords: Network Management, Quality of Service (QoS) requirements, Optimal Control.

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Authors: Hsuan-Ming S Hu, Jolanta A Watson, Bronwen W Cribb, Gregory S Watson

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Biomimicry has many potential benefits as many technologies found in nature are superior to their man-made counterparts. As technological device components approach the micro and nanoscale, surface properties such as surface adhesion and friction may need to be taken into account. Lowering surface adhesion by manipulating chemistry alone might no longer be sufficient for such components and thus physical manipulation may be required. Adhesion reduction is only one of the many surface functions displayed by micro/nano-structured cuticles of insects. Here, we present a mini review of our understanding of insect cuticle structures and the relationship between the structure dimensions and the corresponding functional mechanisms. It may be possible to introduce additional properties to material surfaces (indeed multi-functional properties) based on the design of natural surfaces.

Keywords: Biomimicry, micro/nanostructures, self-cleaning surfaces, superhydrophobicity

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Authors: Hiroshi Hirano, Joji Kadota, Toshiyuki Yamashita, Yasuyuki Agari

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It is well known that enhancing interfacial adhesion between inorganic filler and matrix resin in a composite lead to favorable properties such as excellent mechanical properties, high thermal resistance, prominent electric insulation, low expansion coefficient, and so on. But it should be avoided that much excess of coupling agent is reacted due to a negative impact of their final composite-s properties. There is no report to achieve classification of the bonding state excepting investigation of coating layer thickness. Therefore, the analysis of the bonding state of the coupling agent reacted with the filler surface such as BN particles with less functional group and silica particles having much functional group was performed by thermal gravimetric analysis and pyrolysis GC/MS. The reacted number of functional groups on the silane-coupling agent was classified as a result of the analysis. Thus, we succeeded in classifying the reacted number of the functional groups as a result of this study.

Keywords: Inorganic filler, boron nitride, surface treatment, coupling agent, analysis of bonding state

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Authors: Irfan Rafique, Philip Lew, Maissom Qanber Abbasi, Zhang Li

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The world wide web coupled with the ever-increasing sophistication of online technologies and software applications puts greater emphasis on the need of even more sophisticated and consistent quality requirements modeling than traditional software applications. Web sites and Web applications (WebApps) are becoming more information driven and content-oriented raising the concern about their information quality (InQ). The consistent and consolidated modeling of InQ requirements for WebApps at different stages of the life cycle still poses a challenge. This paper proposes an approach to specify InQ requirements for WebApps by reusing and extending the ISO 25012:2008(E) data quality model. We also discuss learnability aspect of information quality for the WebApps. The proposed ISO 25012 based InQ framework is a step towards a standardized approach to evaluate WebApps InQ.

Keywords: Data Quality Model, Information learnability, Information Quality, Web applications.

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Authors: C. I. Omohimi, O. P. Sobukola, K. O. Sarafadeen, L.O. Sanni

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Flour from Mucuna beans (Mucuna pruriens) were used in producing texturized meat analogue using a single screw extruder to monitor modifications on the proximate composition and the functional properties at high moisture level. Response surface methodology based on Box Behnken design at three levels of barrel temperature (110, 120, 130°C), screw speed (100,120,140rpm) and feed moisture (44, 47, 50%) were used in 17 runs. Regression models describing the effect of variables on the product responses were obtained. Descriptive profile analyses and consumer acceptability test were carried out on optimized flavoured extruded meat analogue. Responses were mostly affected by barrel temperature and moisture level and to a lesser extent by screw speed. Optimization results based on desirability concept indicated that a barrel temperature of 120.15°C, feed moisture of 47% and screw speed of 119.19 rpm would produce meat analogue of preferable proximate composition, functional and sensory properties which reveals consumers` likeness for the product.

Keywords: Functional properties, mucuna bean flour, optimization, proximate composition, texturized meat analogue.

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Authors: Xiuyong Ding, Lan Shu

Abstract:

This paper addresses the stability of the switched systems with discrete and distributed time delays. By applying Lyapunov functional and function method, we show that, if the norm of system matrices Bi is small enough, the asymptotic stability is always achieved. Finally, a example is provided to verify technically feasibility and operability of the developed results.

Keywords: Switched system, stability, Lyapunov function, Lyapunov functional, delays.

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Authors: Sven Rebhan, Nils Einecke, Julian Eggert

Abstract:

In this paper we propose a method for vision systems to consistently represent functional dependencies between different visual routines along with relational short- and long-term knowledge about the world. Here the visual routines are bound to visual properties of objects stored in the memory of the system. Furthermore, the functional dependencies between the visual routines are seen as a graph also belonging to the object-s structure. This graph is parsed in the course of acquiring a visual property of an object to automatically resolve the dependencies of the bound visual routines. Using this representation, the system is able to dynamically rearrange the processing order while keeping its functionality. Additionally, the system is able to estimate the overall computational costs of a certain action. We will also show that the system can efficiently use that structure to incorporate already acquired knowledge and thus reduce the computational demand.

Keywords: Adaptive systems, Knowledge representation, Machinevision, Systems engineering

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Authors: Kyung-Jung Lee, Young-Hun Ki, Hyun-Sik Ahn

Abstract:

In this paper, we propose a hardware and software design method for automotive Electronic Control Units (ECU) considering the functional safety. The proposed ECU is considered for the application to Electro-Mechanical Actuator systems and the validity of the design method is shown by the application to the Electro-Mechanical Brake (EMB) control system which is used as a brake actuator in Brake-By-Wire (BBW) systems. The importance of a functional safety-based design approach to EMB ECU design has been emphasized because of its safety-critical functions, which are executed with the aid of many electric actuators, sensors, and application software. Based on hazard analysis and risk assessment according to ISO26262, the EMB system should be ASIL-D-compliant, the highest ASIL level. To this end, an external signature watchdog and an Infineon 32-bit microcontroller TriCore are used to reduce risks considering common-cause hardware failure. Moreover, a software design method is introduced for implementing functional safety-oriented monitoring functions based on an asymmetric dual core architecture considering redundancy and diversity. The validity of the proposed ECU design approach is verified by using the EMB Hardware-In-the-Loop (HILS) system, which consists of the EMB assembly, actuator ECU, a host PC, and a few debugging devices. Furthermore, it is shown that the existing sensor fault tolerant control system can be used more effectively for mitigating the effects of hardware and software faults by applying the proposed ECU design method.

Keywords: BBW (Brake-By-wire), EMB (Electro-Mechanical Brake), Functional Safety, ISO26262.

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Authors: Mohammad Reza Ayatollahzadeh Shirazi, Pooya Jaferian, Golnaz Elahi, Hamid Baghi, Babak Sadeghian

Abstract:

The world is moving rapidly toward the deployment of information and communication systems. Nowadays, computing systems with their fast growth are found everywhere and one of the main challenges for these systems is increasing attacks and security threats against them. Thus, capturing, analyzing and verifying security requirements becomes a very important activity in development process of computing systems, specially in developing systems such as banking, military and e-business systems. For developing every system, a process model which includes a process, methods and tools is chosen. The Rational Unified Process (RUP) is one of the most popular and complete process models which is used by developers in recent years. This process model should be extended to be used in developing secure software systems. In this paper, the Requirement Discipline of RUP is extended to improve RUP for developing secure software systems. These proposed extensions are adding and integrating a number of Activities, Roles, and Artifacts to RUP in order to capture, document and model threats and security requirements of system. These extensions introduce a group of clear and stepwise activities to developers. By following these activities, developers assure that security requirements are captured and modeled. These models are used in design, implementation and test activitie

Keywords:

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Authors: Linda, Sau-ling Lai

Abstract:

This paper provides new ways to explore the old problem of failure of information systems development in an organisation. Based on the theory of cognitive dissonance, information systems (IS) failure is defined as a gap between what the users expect from an information system and how well these expectations are met by the perceived performance of the delivered system. Bridging the expectation-perception gap requires that IS professionals make a radical change from being the proprietor of information systems and products to being service providers. In order to deliver systems and services that IS users perceive as valuable, IS people must become expert in determining and assessing users- expectations and perceptions. It is also suggested that the IS community, in general, has given relatively little attention to the front-end process of requirements specification for IS development. There is a simplistic belief that requirements are obtainable from users, they are then translatable into a formal specification. The process of information needs analysis is problematic and worthy of investigation.

Keywords: Information Systems Development, Cognitive Dissonance, Expectation-Perception Gap, Requirements Analysis.

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Authors: Olugbara O.O., Adebiyi A.A.

Abstract:

Most standard software development methodologies are often not applied to software projects in many developing countries of the world. The approach generally practice is close to what eXtreme Programming (XP) is likely promoting, just keep coding and testing as the requirement evolves. XP is an agile software process development methodology that has inherent capability for improving efficiency of Business Software Development (BSD). XP can facilitate Business-to-Development (B2D) relationship due to its customer-oriented advocate. From practitioner point of view, we applied XP to BSD and result shows that customer involvement has positive impact on productivity, but can as well frustrate the success of the project. In an effort to promote software engineering practice in developing countries of Africa, we present the experiment performed, lessons learned, problems encountered and solution adopted in applying XP methodology to BSD.

Keywords: Requirements engineering, Requirements elicitation, Extreme programming, Mobile Work force

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Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi

Abstract:

We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.

Keywords: Density functional theory, nitrogen, p-type, ZnO.

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