Search results for: integrated modeling

Authors: Farhad Kolahan, A. Hamid Khajavi

Abstract:

Abrasive waterjet is a novel machining process capable of processing wide range of hard-to-machine materials. This research addresses modeling and optimization of the process parameters for this machining technique. To model the process a set of experimental data has been used to evaluate the effects of various parameter settings in cutting 6063-T6 aluminum alloy. The process variables considered here include nozzle diameter, jet traverse rate, jet pressure and abrasive flow rate. Depth of cut, as one of the most important output characteristics, has been evaluated based on different parameter settings. The Taguchi method and regression modeling are used in order to establish the relationships between input and output parameters. The adequacy of the model is evaluated using analysis of variance (ANOVA) technique. The pairwise effects of process parameters settings on process response outputs are also shown graphically. The proposed model is then embedded into a Simulated Annealing algorithm to optimize the process parameters. The optimization is carried out for any desired values of depth of cut. The objective is to determine proper levels of process parameters in order to obtain a certain level of depth of cut. Computational results demonstrate that the proposed solution procedure is quite effective in solving such multi-variable problems.

Keywords: AWJ cutting, Mathematical modeling, Simulated Annealing, Optimization

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Authors: Gun Yung Go, Man Young Kim

Abstract:

Worldwide interests for the renewable energy are increasing due to environmental and climate changes from traditional petroleum related energy sources. To account for these social needs, ligneous biomass energy is considered as one of the environmentally friend energy solutions. The wood torrefaction process is a feasible method to improve the properties of the biomass fuel and makes the wood have low moisture, lower smoke emission and increased heating value. In this work, therefore, the moisture evaporation model which largely affects energy efficiency of ligneous biomass through moisture contents and heating value relative to its weight is studied with numerical modeling approach by analyzing the effects of torrefaction furnace temperature. The results show that the temperature and moisture fraction of wood decrease by increasing the furnace temperature. When the torrefaction temperature is lower than 423K, there were little changes of the moisture fraction in the wood. Also, it can be found that charcoal is produced more slowly when the torrefaction temperature is lower than 573K.

Keywords: Modeling, Torrefaction, Biomass, Moisture Fraction, Charcoal.

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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

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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: Engy A. Mohamed, Yasser G. Hegazy

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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: Fengxia Zheng, Shouming Zhong

Abstract:

ANNARIMA that combines both autoregressive integrated moving average (ARIMA) model and artificial neural network (ANN) model is a valuable tool for modeling and forecasting nonlinear time series, yet the over-fitting problem is more likely to occur in neural network models. This paper provides a hybrid methodology that combines both radial basis function (RBF) neural network and auto regression (AR) model based on binomial smoothing (BS) technique which is efficient in data processing, which is called BSRBFAR. This method is examined by using the data of Canadian Lynx data. Empirical results indicate that the over-fitting problem can be eased using RBF neural network based on binomial smoothing which is called BS-RBF, and the hybrid model–BS-RBFAR can be an effective way to improve forecasting accuracy achieved by BSRBF used separately.

Keywords: Binomial smoothing (BS), hybrid, Canadian Lynx data, forecasting accuracy.

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Authors: Gerhard Peter

Abstract:

In this paper, we present an integrated framework that governs the introduction of social media into enterprises and its evaluation. It is argued that the framework should address the following issues: (1) the contribution of social media for increasing efficiency and improving the quality of working life; (2) the level on which this contribution happens (i.e., individual, team, or organisation); (3) a description of the processes for implementing and evaluating social media; and the role of (4) organisational culture and (5) management. We also report the results of a case study where the framework has been employed to introduce a social networking platform at a German enterprise. This paper only considers the internal use of social media.

Keywords: Case study, enterprise 2.0, framework, introducing and evaluating social media, social media.

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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: 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: C. Ardil

Abstract:

A new mathematical model for calculating the temperature field of the profile part of the cooled blades of gas turbines is developed. The theoretical substantiation of the method is based on the application of the method of potential theory (the method of boundary integral equations). The effectiveness of the implementation of the developed mathematical model is confirmed on the basis of a computational experiment.

Keywords: Modeling of temperature fields, gas turbine blades, integral methods, cooled blades, gas turbines.

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Authors: Riza Muhida, Maisarah Ali, Puteri Shireen Jahn Kassim, Muhammad Abu Eusuf, Agus G.E. Sutjipto, Afzeri

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Over recent years, the number of building integrated photovoltaic (BIPV) installations for home systems have been increasing in Malaysia. The paper concerns an analysis - as part of current Research and Development (R&D) efforts - to integrate photovoltaics as an architectural feature of a detached house in the new satellite township of Putrajaya, Malaysia. The analysis was undertaken using calculation and simulation tools to optimize performance of BIPV home system. In this study, a the simulation analysis was undertaken for selected bungalow units based on a long term recorded weather data for city of Kuala Lumpur. The simulation and calculation was done with consideration of a PV panels' tilt and direction, shading effect and economical considerations. A simulation of the performance of a grid connected BIPV house in Kuala Lumpur was undertaken. This case study uses a 60 PV modules with power output of 2.7 kW giving an average of PV electricity output is 255 kWh/month..

Keywords: Building integrated photovoltaic, Malaysia, Simulation, panels' tilt and direction.

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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: Jun-Hyuk Choi, Joon Sung Park, Jung-Moo Seo, In-Soung Jung

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A brushless DC motor with integrated drive circuit for air management system is presented. Using magnetic equivalent circuit model a basic design of the motor is determined, and specific configurations are inspected thanks to finite element analysis. In order to reduce an unbalanced magnetic force in an axial direction, induced forces between a stator core and a permanent magnet are calculated with respect to the relative positions of them. For the high efficiency, and high power density, BLDC motor and drive are developed. Also vibration mode and eccentricity of a rotor are considered at the rated and maximum rotational speed Through the experimental results, a validity of the simulated one is confirmed.

Keywords: blower, BLDC, inverter

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Authors: N. Santatriniaina, J. Deseure, T.Q. Nguyen, H. Fontaine, C. Beitia, L. Rakotomanana

Abstract:

Nowadays, with the increasing of the wafer's size and the decreasing of critical size of integrated circuit manufacturing in modern high-tech, microelectronics industry needs a maximum attention to challenge the contamination control. The move to 300 [mm] is accompanied by the use of Front Opening Unified Pods for wafer and his storage. In these pods an airborne cross contamination may occur between wafers and the pods. A predictive approach using modeling and computational methods is very powerful method to understand and qualify the AMCs cross contamination processes. This work investigates the required numerical tools which are employed in order to study the AMCs cross-contamination transfer phenomena between wafers and FOUPs. Numerical optimization and finite element formulation in transient analysis were established. Analytical solution of one dimensional problem was developed and the calibration process of physical constants was performed. The least square distance between the model (analytical 1D solution) and the experimental data are minimized. The behavior of the AMCs intransient analysis was determined. The model framework preserves the classical forms of the diffusion and convection-diffusion equations and yields to consistent form of the Fick's law. The adsorption process and the surface roughness effect were also traduced as a boundary condition using the switch condition Dirichlet to Neumann and the interface condition. The methodology is applied, first using the optimization methods with analytical solution to define physical constants, and second using finite element method including adsorption kinetic and the switch of Dirichlet to Neumann condition.

Keywords: AMCs, FOUP, cross-contamination, adsorption, diffusion, numerical analysis, wafers, Dirichlet to Neumann, finite elements methods, Fick’s law, optimization.

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Authors: Kuan-Chou Chen, Keh-Wen “Carin” Chuang

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This paper demonstrates a model of an e-Learning system based on nowadays learning theory and distant education practice. The relationships in the model are designed to be simple and functional and do not necessarily represent any particular e- Learning environments. It is meant to be a generic e-Learning system model with implications for any distant education course instructional design. It allows online instructors to move away from the discrepancy between the courses and body of knowledge. The interrelationships of four primary sectors that are at the e-Learning system are presented in this paper. This integrated model includes [1] pedagogy, [2] technology, [3] teaching, and [4] learning. There are interactions within each of these sectors depicted by system loop map.

Keywords: e-Learning system, online courses instructionaldesign, integrated model, interrelationships.

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Authors: Chang Kug Kim, Dong Suk Park, Young Joo Seol, Jang Ho Hahn

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The National Agricultural Biotechnology Information Center (NABIC) plays a leading role in the biotechnology information database for agricultural plants in Korea. Since 2002, we have concentrated on functional genomics of major crops, building an integrated biotechnology database for agro-biotech information that focuses on bioinformatics of major agricultural resources such as rice, Chinese cabbage, and microorganisms. In the NABIC, integration-based biotechnology database provides useful information through a user-friendly web interface that allows analysis of genome infrastructure, multiple plants, microbial resources, and living modified organisms.

Keywords: biotechnology, database, genome information

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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: S. B. V. S. P. Sastry, V. V. S. Kesava Rao

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In this paper, x-ray impact of Taguchi method and design of experiment philosophy to project relationship between various factors leading to output yield strength of rebar is studied. In bar mill of an integrated steel plant, there are two production lines called as line 1 and line 2. The metallic properties e.g. yield strength of finished product of the same material is varying for a particular grade material when rolled simultaneously in both the lines. A study has been carried out to set the process parameters at optimal level for obtaining equal value of yield strength simultaneously for both lines.

Keywords: Bar mill, design of experiment, Taguchi, yield strength.

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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.

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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: Purnomo Yustianto, Robin Doss, Suhardi, Novianto Budi Kurniawan

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As a term for characterizing a process of devising a service system, the term ‘service engineering’ is still regarded as an ‘open’ research challenge due to unspecified details and conflicting perspectives. This paper presents consolidated service engineering ontologies in collecting, specifying and defining relationship between components pertinent within the context of service engineering. The ontologies are built by way of literature surveys from the collected conceptual works by collating various concepts into an integrated ontology. Two ontologies are produced: general service ontology and software service ontology. The software-service ontology is drawn from the informatics domain, while the generalized ontology of a service system is built from both a business management and the information system perspective. The produced ontologies are verified by exercising conceptual operationalizations of the ontologies in adopting several service orientation features and service system patterns. The proposed ontologies are demonstrated to be sufficient to serve as a basis for a service engineering framework.

Keywords: Engineering, ontology, service, SoaML.

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Authors: S. Prem Kumar, H. Thameemul Ansari, V. Saminadan

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A smart grid is an emerging technology in the power delivery system which provides an intelligent, self-recovery and homeostatic grid in delivering power to the users. Smart grid communication network provides transmission capacity for information transformation within the connected nodes in the network, in favor of functional and operational needs. In the electric grids communication network delay is based on choosing the appropriate technology and the types of devices enforced. In distinction, the combination of IEEE 802.16 based WiMAX and IEEE 802.11 based WiFi technologies provides improved coverage and gives low delay performances to meet the smart grid needs. By incorporating this method in Wide Area Monitoring System (WAMS) and Advanced Metering Infrastructure (AMI) the performance of the smart grid will be considerably improved. This work deals with the implementation of WiMAX-WLAN integrated network architecture for WAMS and AMI in the smart grid.

Keywords: WiMAX, WLAN, WAMS, Smart Grid, HetNet, AMI.

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Authors: K. Saravanan

Abstract:

An electrical power system has some negative aspects such as flickering and deviations of voltage/power. This can be eliminated using energy storage devices that will provide a backup energy at the time of voltage/power deviations. Energy-storage devices get charging when system voltage/power is higher than reference value and discharging when system voltage/power is lower than reference value, it is acting as catalysts to provide energy boost. In this paper, a dynamic control of Unified Power Flow Controller (UPFC) integrated with superconducting magnetic energy storage (SMES) is developed to improve the power quality, power oscillation damping, and dynamic voltage stability through the transmission line. UPFC inter-connected to SMES through an interface with DC-DC chopper. This inter-connected system is capable of injecting (absorbing) the real and reactive power into (from) the system at the beginning of stability problems. In this paper, the simulation results of UPFC integrated with SMES and UPFC integrated with fuel cells (FCs) are compared using MATLAB/Simulink software package.

Keywords: UPFC, SMES, power system stability, flexible ac transmission systems, fuel cells, chopper.

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Authors: Ramayah Thurasamy, Osman Mohamad, Azizah Omar, Malliga Marimuthu

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This paper presents the research agenda that has been proposed to develop an integrated model to explain technology adoption of SMEs in Malaysia. SMEs form over 90% of all business entities in Malaysia and they have been contributing to the development of the nation. Technology adoption has been a thorn issue among SMEs as they require big outlay which might not be available to the SMEs. Although resource has been an issue among SMEs they cannot lie low and ignore the technological advancements that are taking place at a rapid pace. With that in mind this paper proposes a model to explain the technology adoption issue among SMEs.

Keywords: Technology adoption, integrated model, Small and Medium Enterprises (SME), Malaysia

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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: Elie H. Karam, Antoine B. Abche

Abstract:

It is known that the heart interacts with and adapts to its venous and arterial loading conditions. Various experimental studies and modeling approaches have been developed to investigate the underlying mechanisms. This paper presents a model of the left ventricle derived based on nonlinear stress-length myocardial characteristics integrated over truncated ellipsoidal geometry, and second-order dynamic mechanism for the excitation-contraction coupling system. The results of the model presented here describe the effects of the viscoelastic damping element of the electromechanical coupling system on the hemodynamic response. Different heart rates are considered to study the pacing effects on the performance of the left-ventricle against constant preload and afterload conditions under various damping conditions. The results indicate that the pacing process of the left ventricle has to take into account, among other things, the viscoelastic damping conditions of the myofilament excitation-contraction process.

Keywords: Myocardial sarcomere, cardiac pump, excitationcontraction coupling, viscoelasicity

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

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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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