Search results for: Mathematical modeling

Authors: C. V. Pietreanu, S. E. Zaharia, C. Dinu

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Hazard assessment and risks quantification are key components for estimating the impact of existing regulations. But since regulatory compliance cannot cover all risks in aviation, the authors point out that by studying causal factors and eliminating uncertainty, an accurate analysis can be outlined. The research debuts by making delimitations on notions, as confusion on the terms over time has reflected in less rigorous analysis. Throughout this paper, it will be emphasized the fact that the variation in human performance and organizational factors represent the biggest threat from an operational perspective. Therefore, advanced risk assessment methods analyzed by the authors aim to understand vulnerabilities of the system given by a nonlinear behavior. Ultimately, the mathematical modeling of existing hazards and risks by eliminating uncertainty implies establishing an optimal solution (i.e. risk minimization).

Keywords: Control, human factor, optimization, risk management, uncertainty.

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Authors: Jayashree Ramana

Abstract:

An alarming emergence of multidrug-resistant strains of the tuberculosis pathogen Mycobacterium tuberculosis and continuing high worldwide incidence of tuberculosis has invigorated the search for novel drug targets. The enzyme glutamate racemase (MurI) in bacteria catalyzes the stereoconversion of L-glutamate to D-glutamate which is a component of the peptidoglycan cell wall of the bacterium. The inhibitors targeted against MurI from several bacterial species have been patented and are advocated as promising antibacterial agents. However there are none available against MurI from Mycobacterium tuberculosis, due to the lack of its threedimensional structure. This work accomplished two major objectives. First, the tertiary structure of MtMurI was deduced computationally through homology modeling using the templates from bacterial homologues. It is speculated that like in other Gram-positive bacteria, MtMurI exists as a dimer and many of the protein interactions at the dimer interface are also conserved. Second, potent candidate inhibitors against MtMurI were identified through docking against already known inhibitors in other organisms.

Keywords: Glutamate racemase, homology modeling, docking, drug resistance.

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Authors: Nora Taghavi, Ali Sadr

Abstract:

System identification is the process of creating models of dynamic process from input- output signals. The aim of system identification can be identified as “ to find a model with adjustable parameters and then to adjust them so that the predicted output matches the measured output". This paper presents a method of modeling and simulating with system identification to achieve the maximum fitness for transformation function. First by using optimized KLM equivalent circuit for PVDF piezoelectric transducer and assuming different inputs including: sinuside, step and sum of sinusides, get the outputs, then by using system identification toolbox in MATLAB, we estimate the transformation function from inputs and outputs resulted in last program. Then compare the fitness of transformation function resulted from using ARX,OE(Output- Error) and BJ(Box-Jenkins) models in system identification toolbox and primary transformation function form KLM equivalent circuit.

Keywords: PVDF modeling, ARX, BJ(Box-Jenkins), OE(Output-Error), System Identification.

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Authors: Hycham Aboutaleb, Bruno Monsuez

Abstract:

Current systems complexity has reached a degree that requires addressing conception and design issues while taking into account environmental, operational, social, legal and financial aspects. Therefore, one of the main challenges is the way complex systems are specified and designed. The exponential growing effort, cost and time investment of complex systems in modeling phase emphasize the need for a paradigm, a framework and an environment to handle the system model complexity. For that, it is necessary to understand the expectations of the human user of the model and his limits. This paper presents a generic framework for designing complex systems, highlights the requirements a system model needs to fulfill to meet human user expectations, and suggests a graphbased formalism for modeling complex systems. Finally, a set of transformations are defined to handle the model complexity.

Keywords: Higraph-based, formalism, system engineering paradigm, modeling requirements, graph-based transformations.

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Authors: M. Ouagued, A. Khellaf

Abstract:

The objectif of the present work is to determinate the potential of the solar parabolic trough collector (PTC) for use in the design of a solar thermal power plant in Algeria. The study is based on a mathematical modeling of the PTC. Heat balance has been established respectively on the heat transfer fluid (HTF), the absorber tube and the glass envelop using the principle of energy conservation at each surface of the HCE cross-sectionn. The modified Euler method is used to solve the obtained differential equations. At first the results for typical days of two seasons the thermal behavior of the HTF, the absorber and the envelope are obtained. Then to determine the thermal performances of the heat transfer fluid, different oils are considered and their temperature and heat gain evolutions compared.

Keywords: Direct solar irradiance, solar radiation in Algeria, solar parabolic trough collector, heat balance, thermal oil performance

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Authors: Dinesh Rao, M.G.M. Khan, Sabiha Khan

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Calibration estimation is a method of adjusting the original design weights to improve the survey estimates by using auxiliary information such as the known population total (or mean) of the auxiliary variables. A calibration estimator uses calibrated weights that are determined to minimize a given distance measure to the original design weights while satisfying a set of constraints related to the auxiliary information. In this paper, we propose a new multivariate calibration estimator for the population mean in the stratified sampling design, which incorporates information available for more than one auxiliary variable. The problem of determining the optimum calibrated weights is formulated as a Mathematical Programming Problem (MPP) that is solved using the Lagrange multiplier technique.

Keywords: Calibration estimation, Stratified sampling, Multivariate auxiliary information, Mathematical programming problem, Lagrange multiplier technique.

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Authors: S. Sundaravalli, M. C. Majumder, G. K. Vijayaraghavan

Abstract:

The study focuses to investigate the thermal response of delaminations and develop mathematical models using numerical results to obtain the optimum heat requirement and time to identify delaminations in GLARE type of Fibre Metal Laminates (FML) in both reflection mode and through-transmission (TT) mode of step pulsed active thermography (SPAT) method in the type of nondestructive testing and evaluation (NDTE) technique. The influence of applied heat flux and time on various sizes and depth of delaminations in FML is analyzed to investigate the thermal response through numerical simulations. A finite element method (FEM) is applied to simulate SPAT through ANSYS software based on 3D transient heat transfer principle with the assumption of reflection mode and TT mode of observation individually.

The results conclude that the numerical approach based on SPAT in reflection mode is more suitable for analysing smaller size of near-surface delaminations located at the thermal stimulator side and TT mode is more suitable for analysing smaller size of deeper delaminations located far from thermal stimulator side or near thermal detector/Infrared camera side. The mathematical models provide the optimum q and T at the required MRTD to identify unidentified delamination 7 with 25015.0022W/m2 at 2.531sec and delamination 8 with 16663.3356 W/m2 at 1.37857sec in reflection mode. In TT mode, the delamination 1 with 34954W/m2 at 13.0399sec, delamination 2 with 20002.67W/m2 at 1.998sec and delamination 7 with 20010.87 W/m2 at 0.6171sec could be identified.

Keywords: Step pulsed active thermography (SPAT), NDTE, FML, Delaminations, Finite element method.

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Authors: Engy A. Mohamed, Yasser G. Hegazy

Abstract:

This paper presents a novel algorithm for modeling photovoltaic based distributed generators for the purpose of optimal planning of distribution networks. The proposed algorithm utilizes sequential Monte Carlo method in order to accurately consider the stochastic nature of photovoltaic based distributed generators. The proposed algorithm is implemented in MATLAB environment and the results obtained are presented and discussed.

Keywords: Comulative distribution function, distributed generation, Monte Carlo.

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Authors: B. Selma, S. Chouraqui

Abstract:

The pancreas is an elongated organ that extends across the abdomen, below the stomach. In addition, it secretes certain enzymes that aid in food digestion. The pancreas also manufactures hormones responsible for regulating blood glucose levels. In the present paper, we propose a mathematical model to study the homeostasis of glucose and insulin in healthy human, and a simulation of this model, which depicts the physiological events after a meal, will be represented in ordinary humans. The aim of this paper is to design an algorithm which regulates the level of glucose in the blood. The algorithm applied the concept of expert system for performing an algorithm control in the form of an "active" used to prescribe the rate of insulin infusion. By decomposing the system into subsystems, we have developed parametric models of each subsystem by using a forcing function strategy. The results showed a performance of the control system.

Keywords: Modeling, algorithm, regulation, glucose-insulin, blood, control system.

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Authors: Vahid Rostami, Omid sojodishijani , Saeed Ebrahimijam, Ali MohsenizanjaniNejad

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This paper is described one of the intelligent control method in Autonomous systems, which is called fuzzy control to correct the three wheel omnidirectional robot movement while it make mistake to catch the target. Fuzzy logic is especially advantageous for problems that can not be easily represented by mathematical modeling because data is either unavailable, incomplete or the process is too complex. Such systems can be easily up grated by adding new rules to improve performance or add new features. In many cases , fuzzy control can be used to improve existing traditional controller systems by adding an extra layer of intelligence to the current control method. The fuzzy controller designed here is more accurate and flexible than the traditional controllers. The project is done at MRL middle size soccer robot team.

Keywords: Robocup , omnidirectional , fuzzy control, soccer robot , intelligent control.

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Authors: S. Rozhkova, O. Rozhkova, A. Harlova, V. Lasukov

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We have conducted the optimal synthesis of rootmean- squared objective filter to estimate the state vector in the case if within the observation channel with memory the anomalous noises with unknown mathematical expectation are complement in the function of the regular noises. The synthesis has been carried out for linear stochastic systems of continuous - time.

Keywords: Mathematical expectation, filtration, anomalous noise, memory.

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Authors: Amir Farkhonde

Abstract:

The major objective of this study was to devise a method for solving mathematical problems. Three concepts including faculty of understanding, faculty of guess, and free mind or beginner's mind provided the foundation for this method. An explanatory approach along with a hermeneutic process was taken in this study to support the assumption that mathematical knowledge is constantly developing and it seems essential for students to solve math problems on their own using their faculty of understanding (interpretive dialogue) and faculty of guess. For doing so, a kind of movement from the mathematical problem to mathematical knowledge should be adopted for teaching students a new math topic. The research method of this paper is review, descriptive and conception development. This paper first reviews the research findings on the NRICH’S project (NRICH is part of the family of activities in the Millennium Mathematics Project) with the aim that these findings form the theoretical basis of the problem-solving method. Then, the curriculum, the conceptual structure of the new method, how to design the problem and an example of it are discussed. In this way, students are immersed in the story of discovering and understanding the problem formula, and interpretive dialogue with the text continues by following the questions posed by the problem and constantly reconstructing the answer to find a formula or solution to solve the problem.

Keywords: Interpretive dialogue, NRICH, inventing, a method of problem solving.

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Authors: Slimane Ouhmad, Abdellah Halimi

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In this work, neural networks methods MLP type were applied to a database from an array of six sensors for the detection of three toxic gases. The choice of the number of hidden layers and the weight values are influential on the convergence of the learning algorithm. We proposed, in this article, a mathematical formula to determine the optimal number of hidden layers and good weight values based on the method of back propagation of errors. The results of this modeling have improved discrimination of these gases and optimized the computation time. The model presented here has proven to be an effective application for the fast identification of toxic gases.

Keywords: Back-propagation, Computing time, Fast identification, MLP neural network, Number of neurons in the hidden layer.

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Authors: Rouaz Idriss, Bourahla Nour-Eddine, Kahlouche Farah, Rafa Sid Ali

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The stability of structures made of light-gauge steel depends highly on the contribution of Shear Wall Panel (SWP) systems under horizontal forces due to wind or earthquake loads. Steel plate sheathing is often used with these panels made of cold formed steel (CFS) to improve its shear strength. In order to predict the shear strength resistance, two methods are presented in this paper. In the first method, the steel plate sheathing is modeled with plats strip taking into account only the tension and compression force due to the horizontal load, where both track and stud are modeled according to the geometrical and mechanical characteristics of the specimen used in the experiments. The theoretical background and empirical formulations of this method are presented in this paper. However, the second method is based on a micro modeling of the cold formed steel Shear Wall Panel “CFS-SWP” using Abaqus software. A nonlinear analysis was carried out with an in-plan monotonic load. Finally, the comparison between these two methods shows that the micro modeling with Abaqus gives better prediction of shear resistance of SWP than strips method. However, the latter is easier and less time consuming than the micro modeling method.

Keywords: Cold Formed Steel Shear Wall Panel, CFS-SWP, micro modeling, nonlinear analysis, strip method.

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Authors: Ali Al-Zughaibi, Huw Davies

Abstract:

The purpose of this paper is to present a modeling and control of a quarter-car active suspension system with unknown mass, unknown time-delay and road disturbance. The objective of designing the controller is to derive a control law to achieve stability of the system and convergence that can considerably improve ride comfort and road disturbance handling. This is accomplished by using Routh-Hurwitz criterion based on defined parameters. Mathematical proof is given to show the ability of the designed controller to ensure the target of design, implementation with the active suspension system and enhancement dispersion oscillation of the system despite these problems. Simulations were also performed to control quarter car suspension, where the results obtained from these simulations verify the validity of the proposed design.

Keywords: Active suspension system, disturbance rejection, dynamic uncertainty, time-delay.

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Authors: S. H. Sabzpoushan

Abstract:

In this research we show that the dynamics of an action potential in a cell can be modeled with a linear combination of the dynamics of the gating state variables. It is shown that the modeling error is negligible. Our findings can be used for simplifying cell models and reduction of computational burden i.e. it is useful for simulating action potential propagation in large scale computations like tissue modeling. We have verified our finding with the use of several cell models.

Keywords: Linear model, Action potential, gating dynamics.

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Authors: John Kabuba, Antoine Mulaba-Bafubiandi

Abstract:

The elution process for the removal of Co and Cu from clinoptilolite as an ion-exchanger was investigated using three parameters: bed volume, pH and contact time. The present paper study has shown quantitatively that acid concentration has a significant effect on the elution process. The favorable eluant concentration was found to be 2 M HCl and 2 M H2SO4, respectively. The multi-component equilibrium relationship in the process can be very complex, and perhaps ill-defined. In such circumstances, it is preferable to use a non-parametric technique such as Neural Network to represent such an equilibrium relationship.

Keywords: Clinoptilolite, elution, modeling, neural network.

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Authors: Stanislav Aryeh V. Fradkin, Sharif E.Guseynov

Abstract:

There is a complex situation on the transport environment in the cities of the world. For the analysis and prevention of environmental problems an accurate calculation hazardous substances concentrations at each point of the investigated area is required. In the turbulent atmosphere of the city the wellknown methods of mathematical statistics for these tasks cannot be applied with a satisfactory level of accuracy. Therefore, to solve this class of problems apparatus of mathematical physics is more appropriate. In such models, because of the difficulty as a rule the influence of uneven land surface on streams of air masses in the turbulent atmosphere of the city are not taken into account. In this paper the influence of the surface roughness, which can be quite large, is mathematically shown. The analysis of this problem under certain conditions identified the possibility of areas appearing in the atmosphere with pressure tending to infinity, i.e. so-called "wall effect".

Keywords: Air pollution, concentration of harmful substances, physical-mathematical model, urban area.

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Authors: Mehrdad Nouri Khajavi, Sajjad Ahoui Ghazvin, Ghader Rezazadeh, Mohammad Fathalilou

Abstract:

In this paper static and dynamic response of a varactor of a micro-phase shifter to DC, step DC and AC voltages have been studied. By presenting a mathematical modeling Galerkin-based step by step linearization method (SSLM) and Galerkin-based reduced order model have been used to solve the governing static and dynamic equations, respectively. The calculated static and dynamic pull-in voltages have been validated by previous experimental and theoretical results and a good agreement has been achieved. Then the frequency response and phase diagram of the system has been studied. It has been shown that applying the DC voltage shifts down the phase diagram and frequency response. Also increasing the damping ratio shifts up the phase diagram.

Keywords: MEMS, Phase Shifter, Pull-in Voltage, PhaseDiagram

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Authors: P. F. Wong, H. Salleh, F. A. Rahim

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The adoption of building information modeling (BIM) is increasing in the construction industry. However, quantity surveyors are slow in adoption compared to other professions due to lack of awareness of the BIM’s potential in their profession. It is still unclear on how BIM application can enhance quantity surveyors’ work performance and project performance. The aim of this research is to identify the capabilities of BIM in quantity surveying practices and examine the relationship between BIM capabilities and project performance. Questionnaire survey and interviews were adopted for data collection. Literature reviews identified there are eleven BIM capabilities in quantity surveying practice. Questionnaire results showed that there are several BIM capabilities significantly correlated with project performance in time, cost and quality aspects and the results were validated through interviews. These findings show that BIM has the capabilities to enhance quantity surveyors’ performances and subsequently improved project performance.

Keywords: Building information modeling (BIM), quantity surveyors, capability, project performance.

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Authors: N. P. Yadav, Deepti Verma

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This paper focuses on the mathematical modeling for solidification of Al alloy in a cube mold cavity to study the solidification behavior of casting process. The parametric investigation of solidification process inside the cavity was performed by using computational solidification/melting model coupled with Volume of fluid (VOF) model. The implicit filling algorithm is used in this study to understand the overall process from the filling stage to solidification in a model metal casting process. The model is validated with past studied at same conditions. The solidification process is analyzed by including the effect of pouring velocity as well as natural convection from the wall and geometry of the cavity. These studies show the possibility of various defects during solidification process.

Keywords: Buoyancy driven flow, natural convection driven flow, residual flow, secondary flow, volume of fluid.

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Authors: Reza Sigari Tabrizi, Yeap Peik Foong, Nazli Ebrahimi

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This paper is concerned with the establishment of relationships among knowledge management (KM) criteria that will ensure an essential foundation to evaluate KM outcomes. The major issue under investigation is to assess the popularity of criteria within organizations and to establish a structure of criteria for measuring KM results. An empirical survey was conducted among Malaysian organizations to investigate KM criteria for measuring success of KM initiatives. Therefore, knowledge workers as the respondents were targeted to establish a structure of criteria for evaluating KM outcomes. An established structure of criteria based on the Interpretive Structural Modeling (ISM) is used to map criteria relationships inside organizations. This structure is portrayed to identify that how these set of criteria are related. This network schema should be investigated and implemented to promote innovation and improve enterprise performance. To the researchers, this survey has significant insights into relationship between KM programs and business success.

Keywords: Knowledge Management, Knowledge ManagementOutcomes, KM Criteria, Innovation, Interpretive Structural Modeling

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Authors: Raninder Kaur Dhillon, Mayur Jethwa, Hardeep Singh Rai

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Information technology has made a pivotal progress across disparate disciplines, one of which is AEC (Architecture, Engineering and Construction) industry. CAD is a form of computer-aided building modulation that architects, engineers and contractors use to create and view two- and three-dimensional models. The AEC industry also uses building information modeling (BIM), a newer computerized modeling system that can create four-dimensional models; this software can greatly increase productivity in the AEC industry. BIM models generate open source IFC (Industry Foundation Classes) files which aim for interoperability for exchanging information throughout the project lifecycle among various disciplines. The methods developed in previous studies require either an IFC schema or MVD and software applications, such as an IFC model server or a Building Information Modeling (BIM) authoring tool, to extract a partial or complete IFC instance model. This paper proposes an efficient algorithm for extracting a partial and total model from an Industry Foundation Classes (IFC) instance model without an IFC schema or a complete IFC model view definition (MVD).

Keywords: BIM, CAD, IFC, MVD.

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Authors: Al-Kashif M., Abdel-Mooty M., Fahmy E., Abou Zeid M., Haroun M.

Abstract:

Sandwich panels are widely used in the construction industry for their ease of assembly, light weight and efficient thermal performance. They are composed of two RC thin outer layers separated by an insulating inner layer. In this research the inner insulating layer is made of lightweight Autoclaved Aerated Concrete (AAC) blocks which has good thermal insulation properties and yet possess reasonable mechanical strength. The shear strength of the AAC infill is relied upon to replace the traditionally used insulating foam and to provide the shear capacity of the panel. A comprehensive experimental program was conducted on full scale sandwich panels subjected to bending. In this paper, detailed numerical modeling of the tested sandwich panels is reported. Nonlinear 3-D finite element modeling of the composite action of the sandwich panel is developed using ANSYS. Solid elements with different crashing and cracking capabilities and different constitutive laws were selected for the concrete and the AAC. Contact interface elements are used in this research to adequately model the shear transfer at the interface between the different layers. The numerical results showed good correlation with the experimental ones indicating the adequacy of the model in estimating the loading capacity of panels.

Keywords: Autoclaved Aerated Concrete, Concrete Sandwich Panels, Finite Element Modeling.

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Authors: Bunakiye R. Japheth, Ogude U. Cyril

Abstract:

Since the process of transforming user requirements to modeling constructs are not very well supported by domain-specific frameworks, it became necessary to integrate domain requirements with the specific architectures to achieve an integrated customizable solutions space via artifact orientation. Domain-specific modeling language specifications of model-driven engineering technologies focus more on requirements within a particular domain, which can be tailored to aid the domain expert in expressing domain concepts effectively. Modeling processes through domain-specific language formalisms are highly volatile due to dependencies on domain concepts or used process models. A capable solution is given by artifact orientation that stresses on the results rather than expressing a strict dependence on complicated platforms for model creation and development. Based on this premise, domain-specific methods for producing artifacts without having to take into account the complexity and variability of platforms for model definitions can be integrated to support customizable development. In this paper, we discuss methods for the integration capabilities and necessities within a common structure and semantics that contribute a metamodel for artifact-orientation, which leads to a reusable software layer with concrete syntax capable of determining design intents from domain expert. These concepts forming the language formalism are established from models explained within the oil and gas pipelines industry.

Keywords: Control process, metrics of engineering, structured abstraction, semantic model.

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Authors: J. Augutis, R. Krikstolaitis, L. Martisauskas

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Recently global concerns for the energy security have steadily been on the increase and are expected to become a major issue over the next few decades. Energy security refers to a resilient energy system. This resilient system would be capable of withstanding threats through a combination of active, direct security measures and passive or more indirect measures such as redundancy, duplication of critical equipment, diversity in fuel, other sources of energy, and reliance on less vulnerable infrastructure. Threats and disruptions (disturbances) to one part of the energy system affect another. The paper presents methodology in theoretical background about energy system as an interconnected network and energy supply disturbances impact to the network. The proposed methodology uses a network flow approach to develop mathematical model of the energy system network as the system of nodes and arcs with energy flowing from node to node along paths in the network.

Keywords: Energy Security, Energy Supply Disturbances, Modeling of Energy System, Network Flow

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Authors: R. Damaševičius

Abstract:

System-level design based on high-level abstractions is becoming increasingly important in hardware and embedded system design. This paper analyzes meta-design techniques oriented at developing meta-programs and meta-models for well-understood domains. Meta-design techniques include meta-programming and meta-modeling. At the programming level of design process, metadesign means developing generic components that are usable in a wider context of application than original domain components. At the modeling level, meta-design means developing design patterns that describe general solutions to the common recurring design problems, and meta-models that describe the relationship between different types of design models and abstractions. The paper describes and evaluates the implementation of meta-design in hardware design domain using object-oriented and meta-programming techniques. The presented ideas are illustrated with a case study.

Keywords: Design patterns, meta-design, meta-modeling, metaprogramming.

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Authors: Chi-Lun Liu

Abstract:

Requirements modeling and analysis are important in successful information systems' maintenance. Unified Modeling Language (UML) class diagrams are useful standards for modeling information systems. To our best knowledge, there is a lack of a systems development methodology described by the organism metaphor. The core concept of this metaphor is adaptation. Using the knowledge representation and reasoning approach and ontologies to adopt new requirements are emergent in recent years. This paper proposes an organic methodology which is based on constructivism theory. This methodology is a knowledge representation and reasoning approach to analyze new requirements in the class diagrams maintenance. The process and rules in the proposed methodology automatically analyze inconsistencies in the class diagram. In the big data era, developing an automatic tool based on the proposed methodology to analyze large amounts of class diagram data is an important research topic in the future.

Keywords: Knowledge representation, reasoning, ontology, class diagram, software engineering.

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Authors: A. El-Domiaty, H. M. Abd El-Hafez, M. A. Shaker

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Drilling of glass sheets with different thicknesses have been carried out by Abrasive Jet Machining process (AJM) in order to determine its machinability under different controlling parameters of the AJM process. The present study has been introduced a mathematical model and the obtained results have been compared with that obtained from other models published earlier [1-6]. The experimental results of the present work are used to discuss the validity of the proposed model as well as the other models.

Keywords: Abrasive Jet Machining, Erosion rate, Glass, Mathematical model.

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Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

Abstract:

Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular / nanoscale models is demonstrated.

Keywords: Cement composite, Mechanical Properties, Molecular Dynamics, Plasticizer additives.

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