Search results for: modeling requirements

Authors: Juan Portoviejo Brito, Daniel Icaza Alvarez, Christian Castro Samaniego

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In this article, we present the modeling, simulations, and energy conversion analysis of the solar-wind system for the Quingeo Heritage Center in Ecuador. A numerical model was constructed based on the 19 equations, it was coded in MATLAB R2017a, and the results were compared with the experimental data of the site. The model is built with the purpose of using it as a computer development for the optimization of resources and designs of hybrid systems in the Parish of Quingeo and its surroundings. The model obtained a fairly similar pattern compared to the data and curves obtained in the field experimentally and detailed in manuscript. It is important to indicate that this analysis has been carried out so that in the near future one or two of these power generation systems can be exploited in a massive way according to the budget assigned by the Parish GAD of Quingeo or other national or international organizations with the purpose of preserving this unique colonial helmet in Ecuador.

Keywords: Hybrid system, wind turbine, modeling, simulation, Smart Grid, Quingeo Azuay Ecuador.

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Authors: Jin-Hyeok Kim, Won-Chul Choi, Seung-Ri Jin, Dong-Jo Park

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In this paper, an analysis of a target location estimation system using the best linear unbiased estimator (BLUE) for high performance radar systems is presented. In synthetic environments, we are here concerned with three key elements of radar system modeling, which makes radar systems operates accurately in strategic situation in virtual ground. Radar Cross Section (RCS) modeling is used to determine the actual amount of electromagnetic waves that are reflected from a tactical object. Pattern Propagation Factor (PPF) is an attenuation coefficient of the radar equation that contains the reflection from the surface of the earth, the diffraction, the refraction and scattering by the atmospheric environment. Clutter is the unwanted echoes of electronic systems. For the data fusion of output results from radar detection in synthetic environment, BLUE is used and compared with the mean values of each simulation results. Simulation results demonstrate the performance of the radar system.

Keywords: Best linear unbiased estimator (BLUE) , data fusion, radar system modeling, target location estimation

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Authors: Badarch Tuyatsetseg

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This paper presents parametric probability density models for call holding times (CHTs) into emergency call center based on the actual data collected for over a week in the public Emergency Information Network (EIN) in Mongolia. When the set of chosen candidates of Gamma distribution family is fitted to the call holding time data, it is observed that the whole area in the CHT empirical histogram is underestimated due to spikes of higher probability and long tails of lower probability in the histogram. Therefore, we provide the Gaussian parametric model of a mixture of lognormal distributions with explicit analytical expressions for the modeling of CHTs of PSNs. Finally, we show that the CHTs for PSNs are fitted reasonably by a mixture of lognormal distributions via the simulation of expectation maximization algorithm. This result is significant as it expresses a useful mathematical tool in an explicit manner of a mixture of lognormal distributions.

Keywords: A mixture of lognormal distributions, modeling call holding times, public safety network.

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Authors: Naresh Yadav, I.A. Khan, Sandeep Grover

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This paper presents a unified approach based graph theory and system theory postulates for the modeling and analysis of Simple open cycle Gas turbine system. In the present paper, the simple open cycle gas turbine system has been modeled up to its subsystem level and system variables have been identified to develop the process subgraphs. The theorems and algorithms of the graph theory have been used to represent behavioural properties of the system like rate of heat and work transfers rates, pressure drops and temperature drops in the involved processes of the system. The processes have been represented as edges of the process subgraphs and their limits as the vertices of the process subgraphs. The system across variables and through variables has been used to develop terminal equations of the process subgraphs of the system. The set of equations developed for vertices and edges of network graph are used to solve the system for its process variables.

Keywords: Simple open cycle gas turbine, Graph theoretic approach, process subgraphs, gas turbines system modeling, systemtheory

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Authors: Tarek M. Alguhane, Ayman H. Khalil, M. N. Fayed, Ayman M. Ismail

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The retrofitting of existing buildings to resist the seismic loads is very important to avoid losing lives or financial disasters. The aim at retrofitting processes is increasing total structure strength by increasing stiffness or ductility ratio. In addition, the response modification factors (R) have to satisfy the code requirements for suggested retrofitting types. In this study, two types of jackets are used, i.e. full reinforced concrete jackets and surrounding steel plate jackets. The study is carried out on an existing building in Madinah by performing static pushover analysis before and after retrofitting the columns. The selected model building represents nearly all-typical structure lacks structure built before 30 years ago in Madina City, KSA. The comparison of the results indicates a good enhancement of the structure respect to the applied seismic forces. Also, the response modification factor of the RC building is evaluated for the studied cases before and after retrofitting. The design of all vertical elements (columns) is given. The results show that the design of retrofitted columns satisfied the code's design stress requirements. However, for some retrofitting types, the ductility requirements represented by response modification factor do not satisfy KSA design code (SBC- 301).

Keywords: Concrete jackets, steel jackets, RC buildings pushover analysis, non-linear analysis.

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Authors: Mamoun Sqali, Mohamed Wassim Trojet

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The requirements analysis, modeling, and simulation have consistently been one of the main challenges during the development of complex systems. The scenarios and the state machines are two successful models to describe the behavior of an interactive system. The scenarios represent examples of system execution in the form of sequences of messages exchanged between objects and are a partial view of the system. In contrast, state machines can represent the overall system behavior. The automation of processing scenarios in the state machines provide some answers to various problems such as system behavior validation and scenarios consistency checking. In this paper, we propose a method for translating scenarios in state machines represented by Discreet EVent Specification and procedure to detect implied scenarios. Each induced DEVS model represents the behavior of an object of the system. The global system behavior is described by coupling the atomic DEVS models and validated through simulation. We improve the validation process with integrating formal methods to eliminate logical inconsistencies in the global model. For that end, we use the Z notation.

Keywords: Scenarios, DEVS, synthesis, validation and verification, simulation, formal verification, z notation.

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Authors: Aurelie Aurilla Bechina Arntzen

Abstract:

The last decade has seen an early majority of people The last decade, the role of the of the information communication technologies has increased in improving the social and business life of people. Today, it is recognized that game could contribute to enhance virtual rehabilitation by better engaging patients. Our research study aims to develop a game based system enhancing cognitive and physical capabilities of elderly people. To this end, the project aims to develop a low cost hand held system based on existing game such as Wii, PSP, or Xbox. This paper discusses the concepts and requirements for developing such game for elderly people. Based on the requirement elicitation, we intend to develop a prototype related to sport and dance activities.

Keywords: Elderly people, Game based learning system, Health systems, rehabilitation

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Authors: Spiros Mazarakis, George Matzavinos, Peter P. Groumpos

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Economic models are complex dynamic systems with a lot of uncertainties and fuzzy data. Conventional modeling approaches using well known methods and techniques cannot provide realistic and satisfactory answers to today-s challenging economic problems. Qualitative modeling using fuzzy logic and intelligent system theories can be used to model macroeconomic models. Fuzzy Cognitive maps (FCM) is a new method been used to model the dynamic behavior of complex systems. For the first time FCMs and the Mamdani Model of Intelligent control is used to model macroeconomic models. This new model is referred as the Mamdani Rule-Based Fuzzy Cognitive Map (MBFCM) and provides the academic and research community with a new promising integrated advanced computational model. A new economic model is developed for a qualitative approach to Macroeconomic modeling. Fuzzy Controllers for such models are designed. Simulation results for an economic scenario are provided and extensively discussed

Keywords: Macroeconomic Models, Mamdani Rule Based- FCMs(MBFCMs), Qualitative and Dynamics System, Simulation.

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Authors: Farhad Asadi, Mohammad Javad Mollakazemi, Aref Ghafouri

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Recent research in neural networks science and neuroscience for modeling complex time series data and statistical learning has focused mostly on learning from high input space and signals. Local linear models are a strong choice for modeling local nonlinearity in data series. Locally weighted projection regression is a flexible and powerful algorithm for nonlinear approximation in high dimensional signal spaces. In this paper, different learning scenario of one and two dimensional data series with different distributions are investigated for simulation and further noise is inputted to data distribution for making different disordered distribution in time series data and for evaluation of algorithm in locality prediction of nonlinearity. Then, the performance of this algorithm is simulated and also when the distribution of data is high or when the number of data is less the sensitivity of this approach to data distribution and influence of important parameter of local validity in this algorithm with different data distribution is explained.

Keywords: Local nonlinear estimation, LWPR algorithm, Online training method.

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Authors: J. Hodna, B. Dohnalkova, V. Petranek, R. Drochytka

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The paper is focused on the identification of limiting environmental factors of individual industrial floors on which newly developed polymer protection and repair systems with the use of secondary raw materials will be used. These mainly include floors with extreme stresses and special requirements for materials used. In relation to the environment of a particular industrial floor, it is necessary to ensure, for example, chemical stability, resistance to higher temperatures, resistance to higher mechanical stress, etc. for developed materials, which is reflected in the demands for the developed material systems. The paper describes individual environments and, in relation to them, also requirements for individual components of the developed materials and for the developed materials as a whole.

Keywords: Limits, environment, polymer, industrial floors, recycling, secondary raw material, protective system.

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Authors: D. Pérez, M. M. E. Alemany

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In this work, a framework to model the Supply Chain (SC) Collaborative Planning (CP) process is proposed. The main contributions of this framework concern 1) the presentation of the decision view, the most important one due to the characteristics of the process, jointly within the physical, organisation and information views, and 2) the simultaneous consideration of the spatial and temporal integration among the different supply chain decision centres. This framework provides the basis for a realistic and integrated perspective of the supply chain collaborative planning process and also the analytical modeling of each of its decisional activities.

Keywords: Collaborative Planning, Decision View, Distributed Decision-Making, Framework.

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Authors: Erin Lynne Plettenberg, Jeremy Vickery

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In an access-control situation, the role of a user determines whether a data request is appropriate. This paper combines vetted web mining and logic modeling to build a lightweight system for determining the role of a health care provider based only on their prior authorized requests. The model identifies provider roles with 100% recall from very little data. This shows the value of vetted web mining in AI systems, and suggests the impact of the ICD classification on medical practice.

Keywords: Ontology, logic modeling, electronic medical records, information extraction, vetted web mining.

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Authors: S. Alotaibi, D. Roussinov

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Mobile government services implementation faces several challenges in developing countries. This paper studies some of those challenges in the context of Saudi Arabia. The study aims to investigate factors affecting m-government acceptance in Saudi Arabia, including ease of use, usefulness, service quality, trust, intention to use and users’ satisfaction. Our investigation will help in integrating the m-government services in citizens’ everyday life. We collected and analyzed our data from focus groups. These focus groups are from King Saud University and Imam Muhammed Bin Saud University, so the samples size are five and seven participants, respectively. We found that there are some factors to identifying citizen requirements to Saudi mobile government services. These services should be easy to use and not require too much effort. Also, these services must be fully trusted.

Keywords: E-government, M-government, focus group, Saudi mobile government services.

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Authors: Eckhard M. Ammann

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Knowledge development in companies relies on knowledge-intensive business processes, which are characterized by a high complexity in their execution, weak structuring, communication-oriented tasks and high decision autonomy, and often the need for creativity and innovation. A foundation of knowledge development is provided, which is based on a new conception of knowledge and knowledge dynamics. This conception consists of a three-dimensional model of knowledge with types, kinds and qualities. Built on this knowledge conception, knowledge dynamics is modeled with the help of general knowledge conversions between knowledge assets. Here knowledge dynamics is understood to cover all of acquisition, conversion, transfer, development and usage of knowledge. Through this conception we gain a sound basis for knowledge management and development in an enterprise. Especially the type dimension of knowledge, which categorizes it according to its internality and externality with respect to the human being, is crucial for enterprise knowledge management and development, because knowledge should be made available by converting it to more external types. Built on this conception, a modeling approach for knowledgeintensive business processes is introduced, be it human-driven,e-driven or task-driven processes. As an example for this approach, a model of the creative activity for the renewal planning of a product is given.

Keywords: Conception of knowledge, knowledge dynamics, modeling notation, knowledge-intensive business processes.

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Authors: O. P. Rishi, Rekha Govil, Madhavi Sinha

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Online learning with Intelligent Tutoring System (ITS) is becoming very popular where the system models the student-s learning behavior and presents to the student the learning material (content, questions-answers, assignments) accordingly. In today-s distributed computing environment, the tutoring system can take advantage of networking to utilize the model for a student for students from other similar groups. In the present paper we present a methodology where using Case Based Reasoning (CBR), ITS provides student modeling for online learning in a distributed environment with the help of agents. The paper describes the approach, the architecture, and the agent characteristics for such system. This concept can be deployed to develop ITS where the tutor can author and the students can learn locally whereas the ITS can model the students- learning globally in a distributed environment. The advantage of such an approach is that both the learning material (domain knowledge) and student model can be globally distributed thus enhancing the efficiency of ITS with reducing the bandwidth requirement and complexity of the system.

Keywords: CBR, ITS, student modeling, distributed system, intelligent agent.

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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: Myriam Noureddine

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During their activity, all systems must be operational without failures and in this context, the dependability concept is essential avoiding disruption of their function. As computer networks are systems with the same requirements of dependability, this article deals with an analysis of failures for a computer network. The proposed approach integrates specific tools of the plat-form KB3, usually applied in dependability studies of industrial systems. The methodology is supported by a multi-agent system formed by six agents grouped in three meta agents, dealing with two levels. The first level concerns a modeling step through a conceptual agent and a generating agent. The conceptual agent is dedicated to the building of the knowledge base from the system specifications written in the FIGARO language. The generating agent allows producing automatically both the structural model and a dependability model of the system. The second level, the simulation, shows the effects of the failures of the system through a simulation agent. The approach validation is obtained by its application on a specific computer network, giving an analysis of failures through their effects for the considered network.

Keywords: Computer network, dependability, KB3 plat-form, multi-agent system, failure.

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Authors: Thomas M. Prinz Wilhelm R. Rossak, Kai Gebhardt

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A straightforward and intuitive combination of single simulations into an aggregated master-simulation is not trivial. There are lots of problems, which trigger-specific difficulties during the modeling and execution of such a simulation. In this paper we identify these problems and aim to solve them by mapping the task to the field of multi agent systems. The solution is a new meta-model named AGENTMAP, which is able to mitigate most of the problems and to support intuitive modeling at the same time. This meta-model will be introduced and explained on basis of an example from the e-commerce domain.

Keywords: Multi Agent System, Agent-based Simulation, Distributed Systems, Meta-models.

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Authors: Farooq A. Al-Sheikh, Ali Elkamel, William A. Anderson

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A fluidized catalytic cracking unit (FCCU) is one of the effective units in many refineries. Modeling and optimization of FCCU were done by many researchers in past decades, but in this research, comparison between post- and oxy-combustion was studied in the regenerator-FCCU. Therefore, a simplified mathematical model was derived by doing mass/heat balances around both reactor and regenerator. A state space analysis was employed to show effects of the flow rates variables such as air, feed, spent catalyst, regenerated catalyst and flue gas on the output variables. The main aim of studying dynamic responses is to figure out the most influencing variables that affect both reactor/regenerator temperatures; also, finding the upper/lower limits of the influencing variables to ensure that temperatures of the reactors and regenerator work within normal operating conditions. Therefore, those values will be used as side constraints in the optimization technique to find appropriate operating regimes. The objective functions were modeled to be maximizing the energy in the reactor while minimizing the energy consumption in the regenerator. In conclusion, an oxy-combustion process can be used instead of a post-combustion one.

Keywords: FCCU modeling, optimization, oxy-combustion post-combustion.

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Authors: Mohammad Javad Mollakazemi, Farhad Asadi, Aref Ghafouri

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Performance of different filtering approaches depends on modeling of dynamical system and algorithm structure. For modeling and smoothing the data the evaluation of posterior distribution in different filtering approach should be chosen carefully. In this paper different filtering approaches like filter KALMAN, EKF, UKF, EKS and smoother RTS is simulated in some trajectory tracking of path and accuracy and limitation of these approaches are explained. Then probability of model with different filters is compered and finally the effect of the noise variance to estimation is described with simulations results.

Keywords: Gaussian approximation, KALMAN smoother, Parameter estimation.

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Authors: Mohamed Aymen Slim, Afef Abdelkrim, Mohamed Benrejeb

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The handwriting is a physical demonstration of a complex cognitive process learnt by man since his childhood. People with disabilities or suffering from various neurological diseases are facing so many difficulties resulting from problems located at the muscle stimuli (EMG) or signals from the brain (EEG) and which arise at the stage of writing. The handwriting velocity of the same writer or different writers varies according to different criteria: age, attitude, mood, writing surface, etc. Therefore, it is interesting to reconstruct an experimental basis records taking, as primary reference, the writing speed for different writers which would allow studying the global system during handwriting process. This paper deals with a new approach of the handwriting system modeling based on the velocity criterion through the concepts of artificial neural networks, precisely the Radial Basis Functions (RBF) neural networks. The obtained simulation results show a satisfactory agreement between responses of the developed neural model and the experimental data for various letters and forms then the efficiency of the proposed approaches.

Keywords: ElectroMyoGraphic (EMG) signals, Experimental approach, Handwriting process, Radial Basis Functions (RBF) neural networks, Velocity Modeling.

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Authors: Svetlana Saksonova

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Every commercial bank optimises its asset portfolio depending on the profitability of assets and chosen or imposed constraints. This paper proposes and applies a stylized model for optimising banks' asset and liability structure, reflecting profitability of different asset categories and their risks as well as costs associated with different liability categories and reserve requirements. The level of detail for asset and liability categories is chosen to create a suitably parsimonious model and to include the most important categories in the model. It is shown that the most appropriate optimisation criterion for the model is the maximisation of the ratio of net interest income to assets. The maximisation of this ratio is subject to several constraints. Some are accounting identities or dictated by legislative requirements; others vary depending on the market objectives for a particular bank. The model predicts variable amount of assets allocated to loan provision.

Keywords: asset structure, commercial bank, model, optimisation

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Authors: M. Ravindra, R. Srinivasa Rao, V. Shanmukha Naga Raju

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This paper presents state estimation with Phasor Measurement Unit (PMU) allocation to obtain complete observability of network. A matrix is designed with modeling of zero injection constraints to minimize PMU allocations. State estimation algorithm is developed with optimal allocation of PMUs to find accurate states of network. The incorporation of PMU into traditional state estimation process improves accuracy and computational performance for large power systems. The nonlinearity integrated with zero injection (ZI) constraints is remodeled to linear frame to optimize number of PMUs. The problem of optimal PMU allocation is regarded with modeling of ZI constraints, PMU loss or line outage, cost factor and redundant measurements. The proposed state estimation with optimal PMU allocation has been compared with traditional state estimation process to show its importance. MATLAB programming on IEEE 14, 30, 57, and 118 bus networks is implemented out by Binary Integer Programming (BIP) method and compared with other methods to show its effectiveness.

Keywords: Observability, phasor measurement units, synchrophasors, SCADA measurements, zero injection bus.

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Authors: Israt Jahan Eshita

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Flows developed between two parallel disks have many engineering applications. Two types of non-swirling flows can be generated in such a domain. One is purely source flow in disc type domain (outward flow). Other is purely sink flow in disc type domain (inward flow). This situation often appears in some turbo machinery components such as air bearings, heat exchanger, radial diffuser, vortex gyroscope, disc valves, and viscosity meters. The main goal of this paper is to show the mesh convergence, because mesh convergence saves time, and economical to run and increase the efficiency of modeling for both sink and source flow. Then flow field is resolved using a very fine mesh near-wall, using enhanced wall treatment. After that we are going to compare this flow using standard k-epsilon, RNG k-epsilon turbulence models. Lastly compare some experimental data with numerical solution for sink flow. The good agreement of numerical solution with the experimental works validates the current modeling.

Keywords: Hydraulic diameter, k-epsilon model, meshes convergence, Reynolds number, RNG model, sink flow, source flow and wall y+.

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Authors: M. Kassim, M. Ismail, K. Jumari, M.I Yusof

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this paper presented a survey analysis subjected on network bandwidth management from published papers referred in IEEE Explorer database in three years from 2009 to 2011. Network Bandwidth Management is discussed in today-s issues for computer engineering applications and systems. Detailed comparison is presented between published papers to look further in the IP based network critical research area for network bandwidth management. Important information such as the network focus area, a few modeling in the IP Based Network and filtering or scheduling used in the network applications layer is presented. Many researches on bandwidth management have been done in the broad network area but fewer are done in IP Based network specifically at the applications network layer. A few researches has contributed new scheme or enhanced modeling but still the issue of bandwidth management still arise at the applications network layer. This survey is taken as a basic research towards implementations of network bandwidth management technique, new framework model and scheduling scheme or algorithm in an IP Based network which will focus in a control bandwidth mechanism in prioritizing the network traffic the applications layer.

Keywords: Bandwidth Management (BM), IP Based network, modeling, algorithm, internet traffic, network Management, Quality of Service (QoS).

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Authors: Lan Luo

Abstract:

In China’s construction industry, it is a normal practice to separately subcontract the decoration engineering part from construction engineering, and Building Information Modeling (BIM) is also done separately. Application of BIM in decoration engineering should be integrated with other disciplines, but Chinese current practice makes this very difficult and complicated. Currently, there are three barriers in the auditing of BIM application in decoration engineering in China: heavy workload; scarcity of qualified professionals; and lack of literature concerning audit contents, standards, and methods. Therefore, it is significant to perform research on what (contents) should be evaluated, in which phase, and by whom (professional qualifications) in BIM application in decoration construction so that the application of BIM can be promoted in a better manner. Based on this consideration, four principles of BIM auditing are proposed: Comprehensiveness of information, accuracy of data, aesthetic attractiveness of appearance, and scheme optimization. In the model audit, three methods should be used: Collision, observation, and contrast. In addition, BIM auditing at six stages is discussed and a checklist for work items and results to be submitted is proposed. This checklist can be used for reference by decoration project participants.

Keywords: Audit, evaluation, dimensions, methods, standards, building information modeling application, decoration engineering projects.

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Authors: Jamaludin Sallim

Abstract:

This paper describes the challenges on the requirements engineering for developing an enterprise applications in higher education environment. The development activities include software implementation, maintenance, and enhancement and support for online transaction processing and overnight batch processing. Generally, an enterprise application for higher education environment may include Student Information System (SIS), HR/Payroll system, Financial Systems etc. By the way, there are so many challenges in requirement engineering phases in order to provide two distinctive services that are production processing support and systems development.

Keywords: enterprise applications development, enterprise information systems, business process, requirement engineering, requirement standards, software development activities, software requirement reviews.

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Authors: L. Hammadi, D. Boukhaloua

Abstract:

In this study, a numerical model was developed to predict cavitation phenomena around a NACA0009 profile. The equations of the Rayleigh-Plesset and modified Rayleigh-Plesset are used to modeling the cavitation by bubble around a NACA0009 profile. The study shows that the distributions of pressures around extrados and intrados of profile for angle of incidence equal zero are the same. The study also shows that the increase in the angle of incidence makes it possible to differentiate the pressures on the intrados and the extrados.

Keywords: Cavitation, NACA0009 profile, flow, pressure coefficient.

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Authors: M. Mousavi-Daramoroudi, H. Yousefnia, F. Abbasi-Davani, S. Zolghadri

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In this study, ¹⁷⁷Lu-DOTATOC was prepared under optimized conditions (radiochemical purity: > 99%, radionuclidic purity: > 99%). The percentage of injected dose per gram (%ID/g) was calculated for organs up to 168 h post injection. Compartmental model was applied to mathematical description of the drug behaviour in tissue at different times. The biodistribution data showed the significant excretion of the radioactivity from the kidneys. The adrenal and pancreas, as major expression sites for somatostatin receptor (SSTR), had significant uptake. A pharmacokinetic model of ¹⁷⁷Lu-DOTATOC was presented by compartmental analysis which demonstrates the behavior of the complex.

Keywords: Biodistribution, compartmental modeling, 177Lu, octreotide.

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Authors: Chanin Park, Sundarapandian Thangapandian, Yuno Lee, Minky Son, Shalini John, Young-sik Sohn, Keun Woo Lee

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Hypertension is characterized with stress on the heart and blood vessels thus increasing the risk of heart attack and renal diseases. The Renin angiotensin system (RAS) plays a major role in blood pressure control. Renin is the enzyme that controls the RAS at the rate-limiting step. Our aim is to develop new drug-like leads which can inhibit renin and thereby emerge as therapeutics for hypertension. To achieve this, molecular dynamics (MD) simulation and receptor-based pharmacophore modeling were implemented, and three rennin-inhibitor complex structures were selected based on IC50 value and scaffolds of inhibitors. Three pharmacophore models were generated considering conformations induced by inhibitor. The compounds mapped to these models were selected and subjected to drug-like screening. The identified hits were docked into the active site of renin. Finally, hit1 satisfying the binding mode and interaction energy was selected as possible lead candidate to be used in novel renin inhibitors.

Keywords: Renin inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling

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