Search results for: molecular modeling

Authors: Jana Gutierrez Chvalkovská, Michal Mejstřík, Matěj Urban

Abstract:

There are pending discussions over the mapping of country export potential in order to refocus export strategy of firms and its evidence-based promotion by the Export Credit Agencies (ECAs) and other permitted vehicles of governments. In this paper we develop our version of an applied model that offers “stepwise” elimination of unattractive markets. We modify and calibrate the model for the particular features of the Czech Republic and specific pilot cases where we apply an individual approach to each sector.

Keywords: Export strategy, Modeling export, Calibration, Export promotion.

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Authors: Yoshio Kurosawa

Abstract:

The applications of soundproof materials for reduction of high frequency automobile interior noise have been researched. This paper presents a sound pressure prediction technique including wind noise by Hybrid Statistical Energy Analysis (HSEA) in order to reduce weight of acoustic insulations. HSEA uses both analytical SEA and experimental SEA. As a result of chassis dynamo test and road test, the validity of SEA modeling was shown, and utility of the method was confirmed.

Keywords: Vibration, noise, car, statistical energy analysis.

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Authors: S.A. Al-Qallaf, S.A. Al-Mawsawi, A. Haider

Abstract:

Among all FACTS devices, the unified power flow controller (UPFC) is considered to be the most versatile device. This is due to its capability to control all the transmission system parameters (impedance, voltage magnitude, and phase angle). With the growing interest in UPFC, the attention to develop a mathematical model has increased. Several models were introduced for UPFC in literature for different type of studies in power systems. In this paper a novel comparison study between two dynamic models of UPFC with their proposed control strategies.

Keywords: FACTS, UPFC, Dynamic Modeling, PWM, Fundamental Frequency.

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Authors: Y. Rhazali, Y. Hadi, A. Mouloudi

Abstract:

This paper proposes a method to automatic transformation of CIM level to PIM level respecting the MDA approach. Our proposal is based on creating a good CIM level through well-defined rules allowing as achieving rich models that contain relevant information to facilitate the task of the transformation to the PIM level. We define, thereafter, an appropriate PIM level through various UML diagram. Next, we propose set rules to move from CIM to PIM. Our method follows the MDA approach by considering the business dimension in the CIM level through the use BPMN, standard modeling business of OMG, and the use of UML in PIM advocated by MDA in this level.

Keywords: Model transformation, MDA, CIM, PIM.

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Authors: Rajaa Filali, Mohamed Bouhdadi

Abstract:

This paper presents an incremental formal development of the Wireless Transaction Protocol (WTP) in Event-B. WTP is part of the Wireless Application Protocol (WAP) architectures and provides a reliable request-response service. To model and verify the protocol, we use the formal technique Event-B which provides an accessible and rigorous development method. This interaction between modelling and proving reduces the complexity and helps to eliminate misunderstandings, inconsistencies, and specification gaps. As result, verification of WTP allows us to find some deficiencies in the current specification.

Keywords: Event-B, wireless transaction protocol, refinement, proof obligation, Rodin, ProB.

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Authors: A. Siam, R. Maamri, Z. Sahnoun

Abstract:

The development of adaptive user interfaces (UI) presents for a long time an important research area in which researcher attempt to call upon the full resources and skills of several disciplines, The adaptive UI community holds a thorough knowledge regarding the adaptation of UIs with users and with contexts of use. Several solutions, models, formalisms, techniques and mechanisms were proposed to develop adaptive UI. In this paper, we propose an approach based on the fuzzy set theory for modeling the concept of the appropriateness of different solutions of UI adaptation with different situations for which interactive systems have to adapt their UIs.

Keywords: Adaptive user interfaces, adaptation solution’s appropriateness, fuzzy sets.

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Authors: Bhatti A., Nahavandi S., Hossny M.

Abstract:

Current advancements in nanotechnology are dependent on the capabilities that can enable nano-scientists to extend their eyes and hands into the nano-world. For this purpose, a haptics (devices capable of recreating tactile or force sensations) based system for AFM (Atomic Force Microscope) is proposed. The system enables the nano-scientists to touch and feel the sample surfaces, viewed through AFM, in order to provide them with better understanding of the physical properties of the surface, such as roughness, stiffness and shape of molecular architecture. At this stage, the proposed work uses of ine images produced using AFM and perform image analysis to create virtual surfaces suitable for haptics force analysis. The research work is in the process of extension from of ine to online process where interaction will be done directly on the material surface for realistic analysis.

Keywords: Haptics, AFM, force feedback, image analysis.

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Authors: Y. Yudin, T. Krasikova, Y. Dorozhko, N. Currle-Linde

Abstract:

Nowadays, HPC, Grid and Cloud systems are evolving very rapidly. However, the development of infrastructure solutions related to HPC is lagging behind. While the existing infrastructure is sufficient for simple cases, many computational problems have more complex requirements.Such computational experiments use different resources simultaneously to start a large number of computational jobs.These resources are heterogeneous. They have different purposes, architectures, performance and used software.Users need a convenient tool that allows to describe and to run complex computational experiments under conditions of HPC environment. This paper introduces a modularworkflow system called SEGL which makes it possible to run complex computational experiments under conditions of a real HPC organization. The system can be used in a great number of organizations, which provide HPC power. Significant requirements to this system are high efficiency and interoperability with the existing HPC infrastructure of the organization without any changes.

Keywords: HPC, Molecular Dynamics, Workflow Languages, Workflow Management.

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Authors: Jhalique Jane R. Fojas, Rizalinda L. De Leon, Lucille V. Abad

Abstract:

The characterization of κ-carrageenan could provide a better understanding of its functions in biological, medical and industrial applications. Chemical and physical analyses of carrageenan from seaweeds, Euchema cottonii L., were done to offer information on its properties and the effects of Co-60 γ-irradiation on its thermochemical characteristics. The structural and morphological characteristics of κ-carrageenan were determined using scanning electron microscopy (SEM) while the composition, molecular weight and thermal properties were determined using attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), gel permeation chromatography (GPC), thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Further chemical analysis was done using hydrogen-1 nuclear magnetic resonance (1H NMR) and functional characteristics in terms of biocompatibility were evaluated using cytotoxicity test.

Keywords: Biocompatibility, carrageenan, DSC, FTIR, GPC, irradiation, NMR, physicochemical, SEM, TGA.

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Authors: S. Srinivas, N. Ramesh Babu

Abstract:

This paper presents a model to predict the depth of penetration in polycrystalline ceramic material cut by abrasive waterjet. The proposed model considered the interaction of cylindrical jet with target material in upper region and neglected the role of threshold velocity in lower region. The results predicted with the proposed model are validated with the experimental results obtained with Silicon Carbide (SiC) blocks.

Keywords: Abrasive waterjet cutting, analytical modeling, ceramics, microcutting and intergranular cracking.

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Authors: J.Partanen

Abstract:

Complexity, as a theoretical background has made it easier to understand and explain the features and dynamic behavior of various complex systems. As the common theoretical background has confirmed, borrowing the terminology for design from the natural sciences has helped to control and understand urban complexity. Phenomena like self-organization, evolution and adaptation are appropriate to describe the formerly inaccessible characteristics of the complex environment in unpredictable bottomup systems. Increased computing capacity has been a key element in capturing the chaotic nature of these systems. A paradigm shift in urban planning and architectural design has forced us to give up the illusion of total control in urban environment, and consequently to seek for novel methods for steering the development. New methods using dynamic modeling have offered a real option for more thorough understanding of complexity and urban processes. At best new approaches may renew the design processes so that we get a better grip on the complex world via more flexible processes, support urban environmental diversity and respond to our needs beyond basic welfare by liberating ourselves from the standardized minimalism. A complex system and its features are as such beyond human ethics. Self-organization or evolution is either good or bad. Their mechanisms are by nature devoid of reason. They are common in urban dynamics in both natural processes and gas. They are features of a complex system, and they cannot be prevented. Yet their dynamics can be studied and supported. The paradigm of complexity and new design approaches has been criticized for a lack of humanity and morality, but the ethical implications of scientific or computational design processes have not been much discussed. It is important to distinguish the (unexciting) ethics of the theory and tools from the ethics of computer aided processes based on ethical decisions. Urban planning and architecture cannot be based on the survival of the fittest; however, the natural dynamics of the system cannot be impeded on grounds of being “non-human". In this paper the ethical challenges of using the dynamic models are contemplated in light of a few examples of new architecture and dynamic urban models and literature. It is suggested that ethical challenges in computational design processes could be reframed under the concepts of responsibility and transparency.

Keywords: urban planning, architecture, dynamic modeling, ethics, complexity theory.

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Authors: Toshihiko Matsuka

Abstract:

One problem in evaluating recent computational models of human category learning is that there is no standardized method for systematically comparing the models' assumptions or hypotheses. In the present study, a flexible general model (called GECLE) is introduced that can be used as a framework to systematically manipulate and compare the effects and descriptive validities of a limited number of assumptions at a time. Two example simulation studies are presented to show how the GECLE framework can be useful in the field of human high-order cognition research.

Keywords: artificial intelligence, category learning, cognitive modeling, radial basis functions.

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Authors: N. Alharbi

Abstract:

E-government is becoming more important these days. However, the adoption of e-government is often slowed down by technical and non-technical security factors. Nowadays, there many security models that can make the e-government services more secure. This paper will explain the main security factors that affected the level of e-government security. Moreover, it will also analyse current existing models. Finally, the paper will suggest a comprehensive security model that will contain most of technical and non-technical factors.

Keywords: E-government, technical, non-technical, security model.

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Authors: Ki-Young Kim, Jae-Ho Lim, Deok-Min Kim, Seok-Yoon Kim

Abstract:

Average current analysis checking the impact of current flow is very important to guarantee the reliability of semiconductor systems. As semiconductor process technologies improve, the coupling capacitance often become bigger than self capacitances. In this paper, we propose an analytic technique for analyzing average current on interconnects in multi-conductor structures. The proposed technique has shown to yield the acceptable errors compared to HSPICE results while providing computational efficiency.

Keywords: current moment, interconnect modeling, reliability analysis, worst-case switching

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Authors: Siyanda S. Biyela, Willie A. Cronje

Abstract:

This paper presents a desktop study of comparing two different wave energy to electricity technologies (WECs) using a techno-economic approach. This techno-economic approach forms basis of a framework for rapid comparison of current and future technologies. The approach also seeks to assist in investment and strategic decision making expediting future deployment of wave energy harvesting in South Africa.

Keywords: Cost of energy, tool, wave energy converter, WEC-Sim.

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Authors: Byoung-Tak Zhang, Chan-Hoon Park

Abstract:

Hypernetworks are a generalized graph structure representing higher-order interactions between variables. We present a method for self-organizing hypernetworks to learn an associative memory of sentences and to recall the sentences from this memory. This learning method is inspired by the “mental chemistry" model of cognition and the “molecular self-assembly" technology in biochemistry. Simulation experiments are performed on a corpus of natural-language dialogues of approximately 300K sentences collected from TV drama captions. We report on the sentence completion performance as a function of the order of word-interaction and the size of the learning corpus, and discuss the plausibility of this architecture as a cognitive model of language learning and memory.

Keywords: Linguistic recall memory, sentence completion task, self-organizing hypernetworks, cognitive learning and memory.

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Authors: Hee Suk Seo, Tae Kyung Kim

Abstract:

As network components grow larger and more diverse, and as securing them on a host-by-host basis grow more difficult, more sites are turning to a network security model. We concentrate on controlling network access to various hosts and the services they offer, rather than on securing them one by one with a network security model. We present how the policy rules from vulnerabilities stored in SVDB (Simulation based Vulnerability Data Base) are inducted, and how to be used in PBN. In the network security environment, each simulation model is hierarchically designed by DEVS (Discrete EVent system Specification) formalism.

Keywords: SVDB, PBN, DEVS, Network security.

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Authors: T. Lantharthong, N. Phanthuna

Abstract:

This paper presents reliability evaluation techniques which are applied in distribution system planning studies and operation. Reliability of distribution systems is an important issue in power engineering for both utilities and customers. Reliability is a key issue in the design and operation of electric power distribution systems and load. Reliability evaluation of distribution systems has been the subject of many recent papers and the modeling and evaluation techniques have improved considerably.

Keywords: Reliability Evaluation, Optimization Technique, Reliability Indices

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Authors: Sheroz Khan, A. F. Salami, W. A. Lawal, AHM Zahirul Alam, Shihab Abdel Hameed, M. J. E.Salami

Abstract:

In this paper, a multi-branch power line is modeled using ABCD matrix to show its worth as a communication channel. The model is simulated using MATLAB in an effort to investigate the effects of multiple loading, multipath, and those as a result of load mismatching. The channel transfer function is obtained and investigated using different cable lengths, and different number of bridge taps under given loading conditions.

Keywords: Power line Communication, Transfer Function, Channel Modeling, Signal Transmission.

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Authors: Arturo Ayala-Hernandez, Humberto H´ıjar

Abstract:

We propose a new alternative method for imposing fluid-solid boundary conditions in simulations of Multiparticle Collision Dynamics. Our method is based on the introduction of an explicit potential force acting between the fluid particles and a surface representing a solid boundary. We show that our method can be used in simulations of plane Poiseuille flows. Important quantities characterizing the flow and the fluid-solid interaction like the slip coefficient at the solid boundary and the effective viscosity of the fluid, are measured in terms of the set of independent parameters defining the numerical implementation. We find that our method can be used to simulate the correct hydrodynamic flow within a wide range of values of these parameters.

Keywords: Multiparticle Collision Dynamics, Fluid-Solid Boundary Conditions, Molecular Dynamics.

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Authors: M. Dachyar, Fatkhurrohman

Abstract:

Innovation is being view from four areas of innovation, product, service, technology, and marketing. Whereas customer loyalty is composed of customer expectation, perceived quality, perceived value, corporate image, customer satisfaction, customer trust/confidence, customer commitment, customer complaint, and customer loyalty. This study aimed to investigate the influence of innovation factors to customer loyalty to GSM in the telecom companies where use of products and services. Structural Equation Modeling (SEM) using to analyze innovation factors. It was found the factor of innovation have significant influence on customer loyalty.

Keywords: Innovation, telecommunication, customer loyalty, SEM

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Authors: Ewa Wywial, Shaneen M. Singh

Abstract:

The PRAF family of proteins is a plant specific family of proteins with distinct domain architecture and various unique sequence/structure traits. We have carried out an extensive search of the Arabidopsis genome using an automated pipeline and manual methods to verify previously known and identify unknown instances of PRAF proteins, characterize their sequence and build 3D structures of their individual domains. Integrating the sequence, structure and whatever little known experimental details for each of these proteins and their domains, we present a comprehensive characterization of the different domains in these proteins and their variant properties.

Keywords: PRAF proteins, homology modeling, Arabidopsisthaliana

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Authors: S. A. Kondratyev, O. I. Ibragimova

Abstract:

The authors discuss the collecting abilities of desorbable species (DS) of saturated fatty acids. The DS species of the reagent are understood as species capable of moving from the surface of the mineral particle to the bubble at the moment of the rupture of the interlayer of liquid separating these objects of interaction. DS species of carboxylic acids (molecules and ionic-molecular complexes) have the ability to spread over the surface of the bubble. The rate of their spreading at pH 7 and 10 over the water surface is determined. The collectibility criterion of saturated fatty acids is proposed. The values of forces exerted by the spreading DS species of reagents on liquid in the interlayer and the liquid flow rate from the interlayer are determined.

Keywords: Criterion of action of physically adsorbed reagent, flotation, saturated fatty acids, surface pressure.

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Authors: Mohammed A. Khidhir, K. Praveen Kumar, Marwa Al-Aseer

Abstract:

This is a genetic comparison study of Arabian Oryx (Oryx leucoryx) population at two different locations (A &B) based on nuclear microsatellite DNA markers. Arabian Oryx is listed as vulnerable and endanger by the World Conservation Union (IUCN). Thirty microsatellite markers from bovine family were applied to investigate the genetic diversity of the Arabian Oryx and to set up a molecular inventory. Among 30 microsatellite markers used, 13 markers were moderately polymorphic. Arabian Oryx at location A has shown better gene diversity over location B. However, mean number of alleles were less than location B. Data of within population inbreeding coefficient indicates inbreeding at both locations (A&B). Based on the analysis of polymorphic microsatellite markers, the study revealed that Arabian Oryx need a genetically designed breeding program.

Keywords: Arabian oryx, Microsatellites

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Authors: Alireza Behvandi, Somayeh Tourani

Abstract:

High pressure adsorption of carbon dioxide on zeolite 13X was investigated in the pressure range (0 to 4) Mpa and temperatures 298, 308 and 323K. The data fitting is accomplished with the Toth, UNILAN, Dubinin-Astakhov and virial adsorption models which are generally used for micro porous adsorbents such as zeolites. Comparison with experimental data from the literature indicated that the virial model would best determine results. These results may be partly attributed to the flexibility of the virial model which can accommodate as many constants as the data warrants.

Keywords: adsorption models, zeolite, carbon dioxide

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Authors: Anil Kumar, S. Deswal

Abstract:

The mathematical equation for Separation of the binary aqueous solution is developed by using the Spiegler- Kedem theory. The characteristics of a B-9 hollow fibre module of Du Pont are determined by using these equations and their results are compared with the experimental results of Ohya et al. The agreement between these results is found to be excellent.

Keywords: Binary aqueous solution, modeling, reverse osmosis module, Spiegler-Kedem theory.

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Authors: Vernie C. Convicto, Henry P. Aringa, Wilson I. Barredo

Abstract:

This study presents a conformational model of the helical structures of globular protein particularly ferritin in the framework of white noise path integral formulation by using Associated Legendre functions, Bessel and convolution of Bessel and trigonometric functions as modulating functions. The model incorporates chirality features of proteins and their helix-turn-helix sequence structural motif.

Keywords: Globular protein, modulating function, white noise, winding probability.

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Authors: Alibek Issakhov

Abstract:

In this paper presents the mathematical model of hydrothermal processes in thermal power plant with different wind direction scenarios in the water reservoir, which is solved by the Navier - Stokes and temperature equations for an incompressible fluid in a stratified medium. Numerical algorithm based on the method of splitting by physical parameters. Three dimensional Poisson equation is solved with Fourier method by combination of tridiagonal matrix method (Thomas algorithm).

Keywords: thermal power plant, hydrothermal process, large eddy simulation, water reservoir

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Authors: G. Balakayeva, A. Aktymbayeva

Abstract:

In this paper, we consider components of discrete event imitating model, implementing a simulation model by using JAVA and performing an input analysis of the data and an output analysis of the simulation results. Was lead development of imitating model of mass service system with n (n≥1) devices of service. On the basis of the developed process of a multithreading simulated the distributed processes with presence of synchronization. Was developed the algorithm of event-oriented simulation, was received results of system functioning with n devices of service.

Keywords: Imitating modeling, Mass service system, Multi agentsystem.

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Authors: Nirmala P. Ratchagar, S. Senthamilselvi

Abstract:

The heat and mass transfer characteristics of contaminants in groundwater subjected to a biodegradation reaction is analyzed by taking into account the thermal diffusion (Soret) effects. This phenomenon is modulated mathematically by a system of partial differential equations which govern the motion of fluid (groundwater) and solid (contaminants) particles. The numerical results are presented graphically for different values of the parameters entering into the problem on the velocity profiles of fluid, contaminants, temperature and concentration profile.

Keywords: Heat and mass transfer, Soret number, porous media.

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