Search results for: moderate to vigorous physical activity.

Authors: R. Croitoru, L. A. M. van den Broek, A. E. Frissen, C. M. Davidescu, F. Peter, C. G. Boeriu

Abstract:

Commercially available lipases (Candida antarctica lipase B, Novozyme 435, Thermomyces lanuginosus lipase, and Lipozyme TL IM), as well as sol-gel immobilized lipases, have been screened for their ability to acylate regioselectively xylitol, sorbitol, and mannitol with a phenolic ester in a binary mixture of t-butanol and dimethylsulfoxide. HPLC and MALDI-TOF MS analysis revealed the exclusive formation of monoesters for all studied sugar alcohols. The lipases immobilized by the sol-gel entrapment method proved to be efficient catalysts, leading to high conversions (up to 60%) in the investigated acylation reactions. From a sequence of silane precursors with different nonhydrolyzable groups in their structure, the presence of octyl and i-butyl group was most beneficial for the catalytic activity of sol-gel entrapped lipases in the studied process.

Keywords: Lipase, phenolic ester, specificity, sugar alcohol, transesterification.

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Authors: Vinicius R. Domingues, Luan C. S. M. Ozelim

Abstract:

The statistical study has become indispensable for various fields of knowledge. Not any different, in Geotechnics the study of probabilistic and statistical methods has gained power considering its use in characterizing the uncertainties inherent in soil properties. One of the situations where engineers are constantly faced is the definition of a probability distribution that represents significantly the sampled data. To be able to discard bad distributions, goodness-of-fit tests are necessary. In this paper, three non-parametric goodness-of-fit tests are applied to a data set computationally generated to test the goodness-of-fit of them to a series of known distributions. It is shown that the use of normal distribution does not always provide satisfactory results regarding physical and behavioral representation of the modeled parameters.

Keywords: Kolmogorov-Smirnov, Anderson-Darling, Cramer-Von-Mises, Nonparametric adherence tests.

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Authors: Chris Phan, Yong Seok Park

Abstract:

The Toyota Camry is one of the best-selling cars in America. It is economical, reliable, and most importantly, safe. These attributes allowed the Camry to be the trustworthy choice when choosing dependable vehicle. However, a new finding brought question to the Camry’s safety. Since 1997, the Camry received a “good” rating on its moderate overlap front crash test through the Insurance Institute of Highway Safety. In 2012, the Insurance Institute of Highway Safety introduced a frontal small overlap crash test into the overall evaluation of vehicle occupant safety test. The 2012 Camry received a “poor” rating on this new test, while the 2015 Camry redeemed itself with a “good” rating once again. This study aims to find a possible solution that Toyota implemented to reduce the severity of a frontal small overlap crash in the Camry during a mid-cycle update. The purpose of this study is to analyze and evaluate the performance of various A-pillar shapes as energy absorbing structures in improving passenger safety in a frontal crash. First, A-pillar structures of the 2012 and 2015 Camry were modeled using CAD software, namely SolidWorks. Then, a crash test simulation using ANSYS software, was applied to the A-pillars to analyze the behavior of the structures in similar conditions. Finally, the results were compared to safety values of cabin intrusion to determine the crashworthy behaviors of both A-pillar structures by measuring total deformation. This study highlights that it is possible that Toyota improved the shape of the A-pillar in the 2015 Camry in order to receive a “good” rating from the IIHS safety evaluation once again. These findings can possibly be used to increase safety performance in future vehicles to decrease passenger injury or fatality.

Keywords: A-pillar, crashworthiness, design synthesis, finite element analysis.

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Authors: H. Sagha, S. Kasaei, E. Enayati, M. Dehghani

Abstract:

Although Face detection is not a recent activity in the field of image processing, it is still an open area for research. The greatest step in this field is the work reported by Viola and its recent analogous is Huang et al. Both of them use similar features and also similar training process. The former is just for detecting upright faces, but the latter can detect multi-view faces in still grayscale images using new features called 'sparse feature'. Finding these features is very time consuming and inefficient by proposed methods. Here, we propose a new approach for finding sparse features using a genetic algorithm system. This method requires less computational cost and gets more effective features in learning process for face detection that causes more accuracy.

Keywords: Face Detection, Genetic Algorithms, Sparse Feature.

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Authors: Rahul Bansal, Sudipta Majumdar

Abstract:

This paper presents the closed form nonlinear expressions of bipolar junction transistor (BJT) differential amplifier (DA) using perturbation method. Circuit equations have been derived using Kirchhoff’s voltage law (KVL) and Kirchhoff’s current law (KCL). The perturbation method has been applied to state variables for obtaining the linear and nonlinear terms. The implementation of the proposed method is simple. The closed form nonlinear expressions provide better insights of physical systems. The derived equations can be used for signal processing applications.

Keywords: Differential amplifier, perturbation method, Taylor series.

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Authors: M. Abouelatta, A. Shaker, M. El-Banna, G. T. Sayah, C. Gontrand, A. Zekry

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In this paper, a methodology for physically modeling the intrinsic MOS part and the drift region of the n-channel Laterally Double-diffused MOSFET (LDMOS) is presented. The basic physical effects like velocity saturation, mobility reduction, and nonuniform impurity concentration in the channel are taken into consideration. The analytical model is implemented using MATLAB. A comparison of the simulations from technology computer aided design (TCAD) and that from the proposed analytical model, at room temperature, shows a satisfactory accuracy which is less than 5% for the whole voltage domain.

Keywords: LDMOS, MATLAB, RESURF, modeling, TCAD.

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Authors: B. Dahiya, K.Batra, V.Prasad

Abstract:

Artificial atoms are growing fields of interest due to their physical and optoelectronicapplications. The absorption spectra of the proposed artificial atom inpresence of Tera-Hertz field is investigated theoretically. We use the non-perturbativeFloquet theory and finite difference method to study the electronic structure of ArtificialAtom. The effect of static electric field on the energy levels of artificial atom is studied.The effect of orientation of static electric field on energy levels and diploe matrix elementsis also highlighted.

Keywords: Absorption spectra, Artificial atom, Floquet Theory, THz fields

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Authors: P. Valdiviezo, G. Riofrio, R. Reategui

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This article describes the implementation of an intelligent agent that provides recommendations for educational resources in a virtual learning environment (VLE). It aims to support pending (undeveloped) student learning activities. It begins by analyzing the proposed VLE data model entities in the recommender process. The pending student activities are then identified, which constitutes the input information for the agent. By using the attribute-based recommender technique, the information can be processed and resource recommendations can be obtained. These serve as support for pending activity development in the course. To integrate this technique, we used an ontology. This served as support for the semantic annotation of attributes and recommended files recovery.

Keywords: Learning activities, educational resource, recommender agent, recommendation technique, ontology.

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Authors: Wanqing You, Kai Qian, Xi He, Ying Qian

Abstract:

In this paper, the potential security issues brought by the virtualization of a Software Defined Networks (SDN) would be analyzed. The virtualization of SDN is achieved by FlowVisor (FV). With FV, a physical network is divided into multiple isolated logical networks while the underlying resources are still shared by different slices (isolated logical networks). However, along with the benefits brought by network virtualization, it also presents some issues regarding security. By examining security issues existing in an OpenFlow network, which uses FlowVisor to slice it into multiple virtual networks, we hope we can get some significant results and also can get furtherdiscussions among the security of SDN virtualization.

Keywords: FlowVisor, Network virtualization, Potential threats, Possible solutions.

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Authors: Md. Ashraful Islam, Rahat Sharif

Abstract:

Chittagong is the Commercial Capital of Bangladesh. The study area at GEC in Chittagong is one of the most commercial activity centers of Chittagong. This paper first analyzes the parking demand of the commercial centers, based on the parking survey. Further, it analyzes the relationship between the parking demand of the commercial buildings and the public transport accessibility. The conclusion is that the parking demand rate of the shopping centre and supermarkets decreases with the increasing of the public transport accessibility. This paper also provides the parking demand rate under the different levels of the public transport accessibility and the parking demand model with the accessibility. The conclusions are valuable for the researches on the parking demand and the making of the parking index for the commercial buildings.

Keywords: Parking, accumulation, inventory, demand, supply, occupancy.

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Authors: P. Chaijak, M. Lertworapreecha, C. Sukkasem

Abstract:

Extracellular laccases are copper-containing microbial enzymes with many industrial biotechnological applications. This study evaluated the ability of nutrients in coconut coir to enhance the yield of extracellular laccase of Galactomyces reesii IFO 10823 and develop a co-culture between this yeast and other filamentous fungi isolated from the fungus comb of Macrotermes sp. The co-culture between G. reesii IFO 10823 and M. indicus FJ-M-5 (G3) gave the highest activity at 580.20 U/mL. When grown in fermentation media prepared from coconut coir and distilled water at 70% of initial moisture without supplement addition, G3 produced extracellular laccase of 113.99 U/mL.

Keywords: Extracellular laccase, production, yeast, natural inducer.

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Authors: Dmitry D. Zakharov

Abstract:

The theoretical prediction of the acoustical polarization effects in the heterogeneous composites, made of thick elastic solids with thin nematic films, is presented. The numericalanalytical solution to the problem of the different wave propagation exhibits some new physical effects in the low frequency domain: the appearance of the critical frequency and the existence of the narrow transition zone where the wave rapidly changes its speed. The associated wave attenuation is highly perturbed in this zone. We also show the possible appearance of the critical frequencies where the attenuation changes the sign. The numerical results of parametrical analysis are presented and discussed.

Keywords: Surface wave, guided wave, heterogeneous composite, nematic coating.

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Authors: Mansoureh Naderipour, Susan Bastani, Mohammad Fazel Zarandi

Abstract:

Predicting links that may occur in the future and missing links in social networks is an attractive problem in social network analysis. Granular computing can help us to model the relationships between human-based system and social sciences in this field. In this paper, we present a model based on granular computing approach and Type-2 fuzzy logic to predict links regarding nodes’ activity and the relationship between two nodes. Our model is tested on collaboration networks. It is found that the accuracy of prediction is significantly higher than the Type-1 fuzzy and crisp approach.

Keywords: Social Network, link prediction, granular computing, Type-2 fuzzy sets.

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Authors: L. Zehtaban, D. Roller

Abstract:

Apart from geometry, functionality is one of the most significant hallmarks of a product. The functionality of a product can be considered as the fundamental justification for a product existence. Therefore a functional analysis including a complete and reliable descriptor has a high potential to improve product development process in various fields especially in knowledge-based design. One of the important applications of the functional analysis and indexing is in retrieval and design reuse concept. More than 75% of design activity for a new product development contains reusing earlier and existing design know-how. Thus, analysis and categorization of product functions concluded by functional indexing, influences directly in design optimization. This paper elucidates and evaluates major classes for functional analysis by discussing their major methods. Moreover it is finalized by presenting a noble hybrid approach for functional analysis.

Keywords: Functional analysis, design reuse, functionalindexing and representation.

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Authors: Ceren Ince, Berkay Z. Erdem, Shahram Derogar, Nabi Yuzer

Abstract:

Fibre cement plates, often used in construction, generally are made using quartz as an inert material, cement as a binder and cellulose as a fibre. This paper, first of all, investigates the mechanical properties and durability of fibre cement plates when quartz is both partly and fully replaced with diatomite. Diatomite does not only have lower density compared to quartz but also has high pozzolanic activity. The main objective of this paper is the investigation of the effects of supplementary cementing materials (SCMs) on the short and long term mechanical properties and durability characteristics of fibre cement plates prepared using diatomite. Supplementary cementing materials such as ground granulated blast furnace slug (GGBS) and fly ash (FA) are used in this study. Volume proportions of 10, 20, 30 and 40% of GGBS and FA are used as partial replacement materials to cement. Short and long term mechanical properties such as compressive and flexural strengths as well as sorptivity characteristics and mass were investigated. Consistency and setting time at each replacement levels of SCMs were also recorded. The effects of using supplementary cementing materials on the carbonation and sulphate resistance of fibre cement plates were then experimented. The results, first of all, show that the use of diatomite as a full or partial replacement to quartz resulted in a systematic decrease in total mass of the fibre cement plates. The reduction of mass was largely due to the lower density and finer particle size of diatomite compared to quartz. The use of diatomite did not only reduce the mass of these plates but also increased the compressive strength significantly as a result of its high pozzolanic activity. The replacement levels of both GGBS and FA resulted in a systematic decrease in short term compressive strength with increasing replacement levels. This was essentially expected as the total rate of hydration is much lower in GGBS and FA than that of cement. Long term results however, indicated that the compressive strength of fibre cement plates prepared using both GGBS and FA increases with time and hence the compressive strength of plates prepared using SCMs is either equivalent or more than the compressive strength of plates prepared using cement alone. Durability characteristics of fibre cement plates prepared using SCMs were enhanced significantly. Measurements of sopritivty characteristics were also indicated that the plates prepared using SCMs has much lower water absorption capacities compared to plates prepared cement alone. Much higher resistance to carbonation and sulphate attach were observed with plates prepared using SCMs. The results presented in this paper show that the use of SCMs does not only support the production of more sustainable construction materials but also enhances the mechanical properties and durability characteristics of fibre cement plates.

Keywords: Diatomite, fibre, strength, supplementary cementing materials.

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Authors: A. Kerfah, K. Taïbi, S. Omeiri, M. Trari.

Abstract:

New lead-free ferroelectric relaxor ceramics were prepared by conventional solid-state synthesis in the BaTiO3-Bi2O3- Y2O3 systems. Some of these ceramics present a ferroelectric relaxor with transition temperature close to room temperature. These new materials are very interesting for applications and can replace leadbased ceramic to prevent the toxic pollutions during the preparation state. In the other hand, the energy band diagram shows the potentiality of these compounds for the solar energy conversion. Thus, some compositions have been tested successfully for H2 production upon visible light. The best activity occurs in alkaline media with a rate evolution of about 0.15 mL g-1 mn-1 and a quantum yield of 1% under polychromatic light.

Keywords: Ferroelectric, Hydrogen production, Lead-free, Photocatalysis.

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Authors: Kevin McDaid, Simon P. Wilson

Abstract:

Software developed for a specific customer under contract typically undergoes a period of testing by the customer before acceptance. This is known as user acceptance testing and the process can reveal both defects in the system and requests for changes to the product. This paper uses nonhomogeneous Poisson processes to model a real user acceptance data set from a recently developed system. In particular a split Poisson process is shown to provide an excellent fit to the data. The paper explains how this model can be used to aid the allocation of resources through the accurate prediction of occurrences both during the acceptance testing phase and before this activity begins.

Keywords: User acceptance testing. Software reliability growth modelling. Split Poisson process. Bayesian methods.

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Authors: A. Kourou, S. Kyriakopoulos, N. Anyfanti

Abstract:

A lot of children under the age of five spend their daytime hours away from their home, in a kindergarten. Caring for children is a serious subject, and their safety in case of earthquake is the first priority. Being aware of earthquakes helps to prioritize the needs and take the appropriate actions to limit the effects. Earthquakes occurring anywhere at any time require emergency planning. Earthquake planning is a cooperative effort and childcare providers have unique roles and responsibilities. Greece has high seismicity and Ionian Islands Region has the highest seismic activity of the country. Earthquake Planning and Protection Organization (EPPO) is a national organization in Greece. The mission of EPPO is the seismic risk reduction by designing an earthquake management program of mitigation and preparedness. Among other actions EPPO has analyzed the needs and requirements of kindergartens on earthquake protection issues and has designed specific activities to familiarize the day care centers staff being prepared for earthquakes.  This research presents the results of a survey that detects the level of earthquake preparedness of kindergartens in all over the country and Ionian Islands too. A closed-form questionnaire of 20 main questions was developed for the survey in order to detect the aspects of participants concerning the earthquake preparedness actions at individual, family and day care environment level. 2668 questionnaires were gathered from March 2014 to May 2019, and analyzed by EPPO’s Department of Education. Moreover, this paper presents the EPPO’s educational activities targeted to the Ionian Islands Region that implemented in the framework of “Telemachus” Project. To provide safe environment for children to learn, and staff to work is the foremost goal of any State, community and kindergarten. This project is funded under the Priority Axis “Environmental Protection and Sustainable Development” of Operational Plan “Ionian Islands 2014-2020”. It is increasingly accepted that emergency preparedness should be thought of as an ongoing process rather than a one-time activity. Creating an earthquake safe daycare environment that facilitates learning is a challenging task. Training, drills, and update of emergency plan should take place throughout the year at kindergartens to identify any gaps and to ensure the emergency procedures. EPPO will continue to work closely with regional and local authorities to actively address the needs of children and kindergartens before, during and after earthquakes.

Keywords: Child care centers, education on earthquake issues, emergency planning, Ionian Islands Region of Greece, kindergartens, preparedness.

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Authors: H. Assaedi, F. U. A. Shaikh, I. M. Low

Abstract:

Geopolymer composites reinforced with flax fabrics and nanoclay are fabricated and studied for physical and mechanical properties using X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and Scanning Electron Microscope (SEM). Nanoclay platelets at a weight of 1.0%, 2.0%, and 3.0% were added to geopolymer pastes. Nanoclay at 2.0 wt.% was found to improve density and decrease porosity while improving flexural strength and post-peak toughness. A microstructural analysis indicated that nanoclay behaves as filler and as an activator supporting geopolymeric reaction while producing a higher content geopolymer gel improving the microstructure of binders. The process enhances adhesion between the geopolymer matrix and flax fibres.

Keywords: Flax fibres, geopolymer, mechanical properties, nanoclay.

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Authors: Krzysztof Fujarewicz

Abstract:

This paper presents a predictive model of sensor readings for mobile robot. The model predicts sensor readings for given time horizon based on current sensor readings and velocities of wheels assumed for this horizon. Similar models for such anticipation have been proposed in the literature. The novelty of the model presented in the paper comes from the fact that its structure takes into account physical phenomena and is not just a black box, for example a neural network. From this point of view it may be regarded as a semi-phenomenological model. The model is developed for the Khepera robot, but after certain modifications, it may be applied for any robot with distance sensors such as infrared or ultrasonic sensors.

Keywords: Mobile robot, sensors, prediction, anticipation.

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Authors: F. J. Sowiński, M. Dziubiński

Abstract:

In the study the influence of the physical-chemical properties of a liquid, the width of a channel gap and the superficial liquid and gas velocities on the patterns formed during two phase flows in vertical, narrow mini-channels was investigated. The research was performed in the channels of rectangular cross-section and of dimensions: 15 x 0.65 mm and 7.5 x 0.73 mm. The experimental data were compared with the published criteria of the transitions between the patterns of two-phase flows.

Keywords: Two-phase flow, flow regimes, mini-channel, viscosity.

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Authors: Ferhat Bülbül

Abstract:

The use of magnesium alloys is limited due to their susceptibility to corrosion although they have many attractive physical and mechanical properties. To increase mechanical and corrosion properties of these alloys, many deposition method and coating types are used. Electroless Ni–B coatings have received considerable interest recently due to its unique properties such as cost-effectiveness, thickness uniformity, good wear resistance, lubricity, good ductility and corrosion resistance, excellent solderability and electrical properties and antibacterial property. In this study, electroless Ni-B coating could been deposited on AZ91 magnesium alloy. The obtained coating exhibited a harder and rougher structure than the substrate.

Keywords: Amorphous, electroless Ni–B, magnesium, X-ray diffraction.

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Authors: Z. Zarid, C. Gamba, A. Brusseaux, C. Laborie, K. Briens

Abstract:

Cooling with sound is a physical phenomenon allowed by Thermo-Acoustics in which acoustic energy is transformed into a negative heat transfer, in other words: into cooling! Without needing any harmful gas, the transformation is environmentally friendly and can respond to many needs in terms of air conditioning, food refrigeration for domestic use, and cooling medical samples for example. To explore the possibilities of this cooling solution on a small scale, the TACS prototype has been designed, consisting of a low cost thermoacoustic refrigerant “pipe” able to lower the temperature by a few degrees. The obtained results are providing an interesting element for possible future of thermo-acoustic refrigeration.

Keywords: Domestic Scale Cooling System, Thermoacoustic, Environmental Friendly Refrigeration.

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Authors: Maryam Momeni Feili, Mahvash Zandy Navgaran

Abstract:

The wave function at the origin is an important quantity in studying many physical problems concerning heavy quarkonia. This is because that it is using for calculating spin state hyperfine splitting and also crucial to evaluating the production and decay amplitude of the heavy quarkonium. In this paper, we present the variational method by using the single-parameter wave function to estimate the WFO for the ground state of heavy mesons.

Keywords: Wave function at the origin, heavy mesons, bound states, variational method, non-relativistic quark model, potential model, trial wave function.

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Authors: Juliana A. Knocikova, Yann Bouret, Médéric Argentina, Laurent Counillon

Abstract:

Cell volume, together with membrane potential and intracellular hydrogen ion concentration, is an essential biophysical parameter for normal cellular activity. Cell volumes can be altered by osmotically active compounds and extracellular tonicity. In this study, a simple mathematical model of osmotically induced cell swelling and shrinking is presented. Emphasis is given to water diffusion across the membrane. The mathematical description of the cellular behavior consists in a system of coupled ordinary differential equations. We compare experimental data of cell volume alterations driven by differences in osmotic pressure with mathematical simulations under hypotonic and hypertonic conditions. Implications for a future model are also discussed.

Keywords: Eukaryotic cell, mathematical modeling, osmosis, volume alterations.

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Authors: N. Hachemi, A. Nouani, A. Benchabane

Abstract:

The influence of cultivation factors such as content of ammonium sulfate, glucose and water in the culture medium and particle size of dry orange waste, on their bioconversion for pectinase production was studied using complete factorial design. A polygalacturonase (PG) was isolated using ion exchange chromatography under gradient elution 0-0,5 m/l NaCl (column equilibrate with acetate buffer pH 4,5), subsequently by sephadex G75 column chromatography was applied and the molecular weight was obtained about 51,28 KDa. Purified PG enzyme exhibits a pH and temperature optima of activity at 5 and 35°C respectively. Treatment of apple juice by purified enzyme extract yielded a clear juice, which was competitive with juice yielded by pure Sigma Aldrich Aspergillus niger enzyme.

Keywords: Bioconversion, orange wastes, optimization, pectinase.

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Authors: Lotfi Admane

Abstract:

This paper presents a model of case based corporate memory named ReCaRo (REsource, CAse, ROle). The approach suggested in ReCaRo decomposes the domain to model through a set of components. These components represent the objects developed by the company during its activity. They are reused, and sometimes, while bringing adaptations. These components are enriched by knowledge after each reuse. ReCaRo builds the corporate memory on the basis of these components. It models two types of knowledge: 1) Business Knowledge, which constitutes the main knowledge capital of the company, refers to its basic skill, thus, directly to the components and 2) the Experience Knowledge which is a specialised knowledge and represents the experience gained during the handling of business knowledge. ReCaRo builds corporate memories which are made up of five communicating ones.

Keywords: Corporate memories, meta-model, reuse, ReCaRo.

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Authors: Qasim Khan, Furkan Ahmad, Asfar A. Khan, M. Saad Alam, Faiz Ahmad

Abstract:

In this paper, partial discharge analysis is performed in cavities artificially created in insulation. The setup is according with Cigre-II Method. Circular Samples created from Perspex Sheet with different configuration with changing number of cavities. Assessment of insulation health can be performed by Partial Discharge measurement as this has been found to be important means of condition monitoring. The experiments are done using MPD 540, which is a modern partial discharge measurement system. By analyzing the PD activity obtained for various voids/cavities, it is observed that the PD voltages show variation for cavity’s diameter, depth even for its ratios. This can be employed for scrutiny of insulation system.

Keywords: Partial discharges, condition monitoring, MPD 540, cavities/defects, degradation and corrosion, PMMA.

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Authors: M. Saravi, F. Ashrafi, S.R. Mirrajei

Abstract:

As we know, most differential equations concerning physical phenomenon could not be solved by analytical method. Even if we use Series Method, some times we need an appropriate change of variable, and even when we can, their closed form solution may be so complicated that using it to obtain an image or to examine the structure of the system is impossible. For example, if we consider Schrodinger equation, i.e., We come to a three-term recursion relations, which work with it takes, at least, a little bit time to get a series solution[6]. For this reason we use a change of variable such as or when we consider the orbital angular momentum[1], it will be necessary to solve. As we can observe, working with this equation is tedious. In this paper, after introducing Clenshaw method, which is a kind of Spectral method, we try to solve some of such equations.

Keywords: Chebyshev polynomials, Clenshaw method, ODEs, Spectral methods

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Authors: W. Paraguassu, S. Guerini, C. M. R. Remédios, P. T. C. Freire

Abstract:

High Pressure Raman scattering measurements of KDP:Mn were performed at room temperatures. The X-ray powder diffraction patterns taken at room temperature by Rietveld refinement showed that doped samples of KDP-Mn have the same tetragonal structure of a pure KDP crystal, but with a contraction of the crystalline cell. The behavior of the Raman spectra, in particular the emergence of a new modes at 330 cm-1, indicates that KDP:Mn undergoes a structural phase transition with onset at around 4 GP. First principle density-functional theory (DFT) calculations indicate that tetrahedral rotation with pressure is predominantly around the c crystalline direction. Theoretical results indicates that pressure induced tetrahedral rotations leads to change tetrahedral neighborhood, activating librations/bending modes observed for high pressure phase of KDP:Mn with stronger Raman activity.

Keywords: Dipotassium molybdate, High pressure, Raman scattering, Phase transition, ab initio

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