Search results for: Gabouze Noureddine

Authors: S. A. M. Sabrina, Gouget Lammel, Anne Chantal, Chazalviel, Jean Noël, Ozanam François, Etcheberry Arnaud, Tighlit Fatma Zohra, B. Samia, Gabouze Noureddine

Abstract:

The elaboration and characterization of hybrid nano materials give rise to considerable interest due to the new properties that arising. They are considered as an important category of new materials having innovative characteristics by combining the specific intrinsic properties of inorganic compounds (semiconductors) with the grafted organic species. This open the way to improved properties and spectacular applications in various and important fields, especially in the environment. In this work, nano materials based-semiconductors were elaborated by chemical route. The obtained surfaces were grafted with organic functional groups. The functionalization process was optimized in order to confer to the hybrid nano material a good stability as well as the right properties required for the subsequent applications. Different characterization techniques were used to investigate the resulting nano structures, such as SEM, UV-Visible, FTIR, Contact angle and electro chemical measurements. Finally, applications were envisaged in environmental area. The elaborated nano structures were tested for the detection and the elimination of pollutants.

Keywords: hybrid materials, porous silicon, peptide, metal detection

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Authors: Katia Ayouz-Chebout, Fatima Boudeffar, Maha Ayat, Malika Berouaken, Chafiaa Yaddaden, Saloua Merazga, Nouredine Gabouze

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Transition metal oxide composites have been widely reported in energy storage and conversion systems. In this regard, an attempt has been made to synthesize NiO@V₂O₅ nanocomposite. The structures and morphology of synthesized powder are investigated by X-ray diffraction, scanning electron microscope (SEM), and Attenuated Total Reflection (ATR). The electrochemical properties and performances as cathode electrodes based on active material NiO@V₂O₅ were studied by cyclic voltammetry (CV), between potential bias [0.01V to 3V], with scanning speed of 0,1mVs⁻¹, the galvanostatic charge/discharge (CDG) for 100 cycles was also measured.

Keywords: composite nanobelts, vanadium pentoxide, nickel oxide, Li-ion batteries

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Authors: Gabouze Nourredine, Saloua Merazga

Abstract:

Due to their exceptional durability, low-cost, high-power density, and reliability, cathodes based on titanium dioxide, and more specifically spinel LTO (Li4Ti5O12), present an attractive alternative to conventional lithium cathode materials for multiple applications. The aim of this work is to synthesize and characterize the nanopowders of titanium dioxide (TiO₂) and lithium titanate (Li₄Ti5O₁₂) by the hydrothermal method and to use them as a cathode in a lithium-ion battery. The structural and morphological characterizations of the synthesized powders were performed by XRD, SEM, EDS, and FTIR-ATR. Nevertheless, the study of the electrochemical performances of the elaborated electrode materials was carried out by: cyclic voltametry (CV) and galvanostatic charge/discharge (CDG). The prepared electrode by the powder annealed at 800 °C has a good specific capacity of about 173 mAh/g and a good cyclic stability

Keywords: lithuim-ion, battery, LTO, tio2, capacity

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Authors: S. Merazga, F. Boudeffar, A. Bouaoua, A. Cheriet, M. Berouaken, M. Mebarki, K. Ayouz, N. Gabouze

Abstract:

Several anode materials as transition metal oxides (Fe3O4, SnO2 a, SnO2, LiCoO2, and Li₄Ti₅O₁₂) has been used. Although titanium oxide has attracted great attention as a; superior electrode for Li-ion batteries due tohis excellent characteristic such as: high capacity, low cost and non-toxicity. In this work, the Synthesis and Characterization of Si Doped Li₄Ti₅O₁₂ with hydrothermal Method was electrochemically evaluated. The SEM images shows that the morphology of LTO powders sizes in the range 70nm.The electrochemical properties of synthesizer nanopowders are investigated for use as an anode active material for lithium-ion batteries by galvanostatic techniques in Li-half cells, obtaining reversible discharge capacity of 173.8 mAh/g at 0.1C even upon 100 cycles.Though the doped powders exhibit an upgrade in The electrical conductivity , This is suitable for use as a high-power cathode material for lithium-ion batteries.

Keywords: LTO, li-ion, battteries, anode

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Authors: Noureddine Radouai

Abstract:

Corruption is an endemic phenomenon in many countries around the globe. Morocco, as an authoritarian regime, relies on corruption for monarchy survival. I analyze the Makhzen structure and methods that it follows to exchange corruption for political loyalty. The abuse of power in Morocco is sponsored by the monarch itself as it is its way to remain its importance in the regime.

Keywords: corruption, Clientelism, authoritarian regime, Morocco

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Authors: Mahmoudi Noureddine, Bouregba Rachid

Abstract:

In this paper the stress intensity factors of a slant-cracked plate of AISI 304 stainless steel, have been calculated using extended finite element method and finite element method (FEM) in ABAQUS software, the results were compared with theoretical values.

Keywords: stress intensity factors, extended finite element method, stainless steel, abaqus

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Authors: Mahmoudi Noureddine

Abstract:

In this study the use of two variable refined plate theories of laminated composite plates to static response of laminated plates. The plate theory accounts for parabolic distribution of the transverse shear strains, and satisfies the zero traction boundary conditions on the surfaces of the plate without using shear correction factor. The validity of the present theory is demonstrated by comparison with solutions available in the literature and finite element method. The result is presented for the static response of simply supported rectangular plates under uniform sinusoidal mechanical loadings.

Keywords: bending, composite, laminate, plates, fem

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Authors: Abdous Noureddine

Abstract:

The problem of funding in Algeria emerged as a problem you need to study after many Algerians researchers pointed out that the faltering Algerian public economic institution due to the imbalance in the financial structures and lower steering and marketing efficiency, as well as a result of severe expansion of borrowing because of inadequate own resources, and the consequent inability This institution to repay loans and interest payments, in addition to increasing reliance on overdraft so used to finance fixed assets, no doubt that this deterioration requires research and study of the causes and aspects of treatment, which addresses the current study, aside from it.

Keywords: financial structure, financial capital, equity, debt, firm’s value, return, leverage

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Authors: Mahmoudi Noureddine, Kaou Abdellah

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Energy absorption is a major requirement for automotive structures. Although crashworthy structures of composite based glass fiber have exhibited energy absorption greater than similar at other composites structures, the crush process in many cases is accompanied by fracture, rather than by plastic deformation. The crash experiments show that the tubes are crushed in progressive manner start from one end of the tubes and delamination takes place between the layers. To better understand details of the crash process, ABAQUS finite element code is used.

Keywords: Energy absorption, crash, PEHD

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Authors: Taieb Kherafa Noureddine

Abstract:

The paper presents a new approach regarding the management in sports that is based on the principles of reengineering. Applying that modern and pure management system, called reengineering, in sports activity, we hope to get better and better results, in order to increase both the health state and the performances of trained athletes. The paper also presents the similarities between BPR (Business Process Reengineering) and sports managements, as well as the proposed solution for a proper implementation of such model of management. The five components of the basic BPR model are presented, together with their features for sports management.

Keywords: business process reengineering, great sports events, sports management, training activities

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Authors: Rim Zgueb, Noureddine Yacoubi

Abstract:

The objective of this study was to investigate the thermal property of magnesium oxychloride cement (MOC) using glass powder as a substitute. Glass powder by proportion 0%, 5%, 10%, 15% and 20% of cement’s weight was added to specimens. At the end of a drying time of 28 days, thermal properties, compressive strength and bulk density of samples were determined. Thermal property is measured by Photothermal Deflection Technique by comparing the experimental of normalized amplitude and the phase curves of the photothermal signal to the corresponding theoretical ones. The findings indicate that incorporation of glass powder decreases the thermal properties of MOC.

Keywords: magnesium oxychloride cement (MOC), phototharmal deflection technique, thermal properties, Ddensity

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Authors: Noureddine Mahmoudi

Abstract:

The use of natural fibers in the development of composite materials is a sector in full expansion. These fibers were used for their low cost, their availability and their renewable character. The fibers of the palm (palm tree) were used as reinforcement in polypropylene (PP). The date palm fibers have some potential because of their ecological and economic interest. Both unmodified and compatibilized fibers are used. Compatibilization was carried out with the use of maleic anhydride copolymers. The morphology and mechanical properties were characterized by electron microscopy scanning (SEM) and tensile tests. The influence of fiber content on mechanical properties of composite PP / date palm has been evaluated and demonstrated, that the maximum stress and elongation decreases with increasing fiber volume rate. On the other hand, an increase of the tensile modulus has been noticed, but after the fibers improvement, the maximum stress increases significantly up to 25% weight.

Keywords: plant fiber, palm, SEM, compatibilizer

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Authors: Houcine Naim, Abdelatif Hassini, Noureddine Benabadji, Alex Van Den Bossche

Abstract:

In this paper, two models to estimate the overall monthly average daily radiation on a horizontal surface were applied to the site of Oran (35.38 ° N, 0.37 °W). We present a comparison between the first one is a regression equation of the Angstrom type and the second model is developed by the present authors some modifications were suggested using as input parameters: the astronomical parameters as (latitude, longitude, and altitude) and meteorological parameters as (relative humidity). The comparisons are made using the mean bias error (MBE), root mean square error (RMSE), mean percentage error (MPE), and mean absolute bias error (MABE). This comparison shows that the second model is closer to the experimental values that the model of Angstrom.

Keywords: meteorology, global radiation, Angstrom model, Oran

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Authors: Noureddine Litim

Abstract:

This work is to theoretical and numerical studying the real analysis of the seismic response of the soil with an Elasto-plastic behavior. To perform this analysis, we used different core drilling performed at the tunnel T4 in El Horace section of the highway east-west. The two-dimensional model (2d) was established by the code of finite element plaxis to estimate the displacement amplification and accelerations caused by the seismic wave in the different core drilling and compared with the factor of acceleration given by the RPA (2003) in the area studying. Estimate the displacement amplification and accelerations caused by the seismic wave.

Keywords: seismic response, deposition of soil, plaxis, elasto-plastic

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Authors: Rim Zgueb, Noureddine Yacoubi

Abstract:

The work concerns thermo-mechanical properties of cement Sorel mixed with different proportions of glass powder. Five specimens were developed. Four different glass powder mixtures were developed 5%, 10%, 15% and 20% with one control sample without glass powder. The research presented in this study focused on evaluating the effects of replacing portion of glass powder with various percentages of cement Sorel. The influence of the glass powder on the thermal conductivity, thermal diffusivity, bulk density and compressive strength of the cement Sorel at 28 days of curing were determined. The thermal property of cement was measured by using Photothermal deflection technique PTD. The results revealed that the glass powder additive affected greatly on the thermal properties of the cement.

Keywords: cement sorel, photothermal deflection technique, thermal conductivity, thermal diffusivity

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Authors: F. Z. Tighilt, N. Belhaneche-Bensemra, S. Belhousse, S. Sam, K. Lasmi, N. Gabouze

Abstract:

Recently, the gold nanoparticles (Au NPs) became an active multidisciplinary research topic. First, Au thin films fabricated by alkylthiol-functionalized Au NPs were found to have vapor sensitive conductivities, they were hence widely investigated as electrical chemiresistors for sensing different vapor analytes and even organic molecules in aqueous solutions. Second, Au thin films were demonstrated to have speciallocalized surface plasmon resonances (LSPR), so that highly ordered 2D Au superlattices showed strong collective LSPR bands due to the near-field coupling of adjacent nanoparticles and were employed to detect biomolecular binding. Particularly when alkylthiol ligands were replaced by thiol-terminated polymers, the resulting polymer-modified Au NPs could be readily assembled into 2D nanostructures on solid substrates. Monolayers of polystyrene-coated Au NPs showed typical dipolar near-field interparticle plasmon coupling of LSPR. Such polymer-modified Au nanoparticle films have an advantage that the polymer thickness can be feasibly controlled by changing the polymer molecular weight. In this article, the effect of tin-doped indium oxide (ITO) coatings on the plasmonic properties of ITO interfaces modified with gold nanostructures (Au NSs) is investigated. The interest in developing ITO overlayers is multiple. The presence of a con-ducting ITO overlayer creates a LSPR-active interface, which can serve simultaneously as a working electrode in an electro-chemical setup. The surface of ITO/ Au NPs contains hydroxyl groups that can be used to link functional groups to the interface. Here the covalent linking of nickel /Au NSs/ITO hybrid LSPR platforms will be presented.

Keywords: conducting polymer, metal nanoparticles (NPs), LSPR, poly (3-(pyrrolyl)–carboxylic acid), polypyrrole

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Authors: Hichem Sassi, Tawfik Najeh, Noureddine Liouane

Abstract:

The localization information is crucial for the operation of WSN. There are principally two types of localization algorithms. The Range-based localization algorithm has strict requirements on hardware; thus, it is expensive to be implemented in practice. The Range-free localization algorithm reduces the hardware cost. However, it can only achieve high accuracy in ideal scenarios. In this paper, we locate unknown nodes by incorporating the advantages of these two types of methods. The proposed algorithm makes the unknown nodes select the nearest anchor using the Received Signal Strength Indicator (RSSI) and choose two other anchors which are the most accurate to achieve the estimated location. Our algorithm improves the localization accuracy compared with previous algorithms, which has been demonstrated by the simulating results.

Keywords: WSN, localization, DV-Hop, RSSI

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Authors: Chouahda Salima, Soltani Noureddine

Abstract:

The present study is a part of biological control against mosquitoes. It aims to assess the impact of a selective insect growth regulator: halofenozide in mosquitofish: Gambusia affinis. Acetylcholinesterase (AChE), glutathione S-transferase (GST) and glutathione (GSH) used in assessing of environmental stress were measured in juveniles and adults males and females. The response of these biomarkers reveals an inhibition of AChE specific activity, an induction of GST activity, and decrease of GSH rates in juveniles in the end of experiment and during chronic treatment adult males and females. The effect of these biomarkers is more pronounced in females compared to males and juveniles. These different biomarkers have a similar profile for the duration of exposure.

Keywords: biomarkers, chronic toxicity, insecticide, halofenozide, Gambusia affinis, pollution

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Authors: C. Yaddaden, M. Berouaken, L. Talbi, K. Ayouz, M. Ayat, A. Cheriet, F. Boudeffar, A. Manseri, N. Gabouze

Abstract:

Lithium-ion batteries (LIBs) are widely used in various electronic devices due to their high energy density. However, the performance of the anode material in LIBs is crucial for enhancing the battery's overall efficiency. This research focuses on developing a new anode material by modifying silicon nanostructures, specifically porous silicon nanowires (PSiNWs) and porous silicon nanoparticles (NPSiP), with silver nanoparticles (Ag) to improve the performance of LIBs. The aim of this research is to investigate the potential application of PSiNWs/Ag and NPSiP/Ag as anodes in LIBs and evaluate their performance in terms of specific capacity and Coulombic efficiency. The research methodology involves the preparation of PSiNWs and NPSiP using metal-assisted chemical etching and electrochemical etching techniques, respectively. The Ag nanoparticles are introduced onto the nanostructures through electrodissolution of the porous film and ultrasonic treatment. Galvanostatic charge/discharge measurements are conducted between 1 and 0.01 V to evaluate the specific capacity and Coulombic efficiency of both PSiNWs/Ag and NPSiP/Ag electrodes. The specific capacity of the PSiNWs/Ag electrode is approximately 1800 mA h g-1, with a Coulombic efficiency of 98.8% at the first charge/discharge cycle. On the other hand, the NPSiP/Ag electrode exhibits a specific capacity of 2600 mAh g-1. Both electrodes show a slight increase in capacity retention after 80 cycles, attributed to the high porosity and surface area of the nanostructures and the stabilization of the solid electrolyte interphase (SEI). This research highlights the potential of using modified silicon nanostructures as anodes for LIBs, which can pave the way for the development of more efficient lithium-ion batteries.

Keywords: porous silicon nanowires, silicon nanoparticles, lithium-ion batteries, galvanostatic charge/discharge

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Authors: Noureddine Adjlane, Nizar Haddad

Abstract:

Deformed Wing Virus (DWV) is considered as the most prevalent virus that dangerous the honeybee health worldwide today. In this study we aimed to evaluate the impact of the virus on honeybees (Apis mellifera intermissa) mortality in Algeria and we conducted the study on samples collected from the central area in the country. We used PCR for the diagnoses of the (DWV) in the diagnosis. The results had shown a high infestation in the sampled colonies and it represented 42% of the total sample. In this study, we found a clear role of both Varroa destructor mite and DWV on hive mortality in the experimented apiary. Further studies need to be conducted in order to give soled recommendations to the beekeepers, decision makers and stockholders of the Algerian beekeeping sector.

Keywords: honey bee, DWV, Varroa destructor, mortality, prevalence, infestation

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Authors: Oulad Naoui Noureddine, Cherif ELAmine, Djehiche Abdelkader

Abstract:

Water resources management includes several disciplines; the modeling of rainfall-runoff relationship is the most important discipline to prevent natural risks. There are several models to study rainfall-runoff relationship in watersheds. However, the majority of these models are not applicable in all basins of the world.  In this study, a new stochastic method called The Only Corresponding Competitor method (OCC) was used for the hydrological modeling of M’ZAB   Watershed (South East of Algeria) to adapt a few empirical models for any hydrological regime.  The results obtained allow to authorize a certain number of visions, in which it would be interesting to experiment with hydrological models that improve collectively or separately the data of a catchment by the OCC method.

Keywords: modelling, optimization, rainfall-runoff relationship, empirical model, OCC

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Authors: Abouamama Sidaoui, Noureddine Karkachi, Mebrouk Kihal

Abstract:

The characteristics of Fusarium oxysporium f.sp. albedinis (Foa) isolates were investigated using electrophoretic studies of isozymes systems (esterase and phosphatase). All the (F.o.a) isolates were pathogenic to the date palm seedlings cultivar Deglet Nour, but they did not induce any disease symptoms on control plants. Fusarium sp. isolated from soil did not show aggression against these seedlings. The isoenzymes profiles revealed polymorphic bands. The data were subjected to analysis with the JMP method. The isolates were delineated into two main groups A and B which were divided into sub-groups. 19 isolates create the group A, and four isolates (E1, E2, E3 and M15A) formed the group B. Analysis of isozyme banding patterns was found to be a reliable marker technology, efficient, and effective tools to find the genetic variability among isolates isolated in different geographical areas.

Keywords: genetic diversity, Fusarium oxysporium f. sp. albedinis, isozyme analysis, pathogenicity

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Authors: Hajer Rahali, Zied Hajaiej, Noureddine Ellouze

Abstract:

The goal of speech parameterization is to extract the relevant information about what is being spoken from the audio signal. In speech recognition systems Mel-Frequency Cepstral Coefficients (MFCC) and Relative Spectral Mel-Frequency Cepstral Coefficients (RASTA-MFCC) are the two main techniques used. It will be shown in this paper that it presents some modifications to the original MFCC method. In our work the effectiveness of proposed changes to MFCC called Modified Function Cepstral Coefficients (MODFCC) were tested and compared against the original MFCC and RASTA-MFCC features. The prosodic features such as jitter and shimmer are added to baseline spectral features. The above-mentioned techniques were tested with impulsive signals under various noisy conditions within AURORA databases.

Keywords: auditory filter, impulsive noise, MFCC, prosodic features, RASTA filter

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Authors: Mehdi Brahimi, Kamal Medjaher, Noureddine Zerhouni, Mohammed Leouatni

Abstract:

The Prognostics and Health Management is a system engineering discipline which provides solutions and models to the implantation of a predictive maintenance. The approach is based on extracting useful information from monitoring data to assess the “health” state of an industrial equipment or an asset. In this paper, we examine multiple extracted features from Pantograph-Catenary contact force in order to select the most relevant ones to achieve a diagnostics function. The feature extraction methodology is based on simulation data generated thanks to a Pantograph-Catenary simulation software called INPAC and measurement data. The feature extraction method is based on both statistical and signal processing analyses. The feature selection method is based on statistical criteria.

Keywords: catenary/pantograph interaction, diagnostics, Prognostics and Health Management (PHM), quality of current collection

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Authors: Hechmi Saidi, Noureddine Hamdi

Abstract:

The performance of decode and forward (DF) multihop free space optical (FSO) scheme deploying multiple input multiple output (MIMO) configuration under gamma-gamma (GG) statistical distribution, that adopts M-ary pulse position modulation (MPPM) coding, is investigated. We have extracted exact and estimated values of symbol-error rates (SERs) respectively. The probability density function (PDF)’s closed-form formula is expressed for our designed system. Thanks to the use of DF multihop MIMO FSO configuration and MPPM signaling, atmospheric turbulence is combatted; hence the transmitted signal quality is improved.

Keywords: free space optical, gamma gamma channel, radio frequency, decode and forward, multiple-input multiple-output, M-ary pulse position modulation, symbol error rate

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Authors: Nadia Chagtmi, Nejla Rejab, Noureddine Boulejfen

Abstract:

This paper presents a calibration approach based on artificial neural networks (ANN) to determine the envelop signal (I+jQ) of a six-port based receiver (SPR). The memory effects called also dynamic behavior and the nonlinearity brought by diode based power detector have been taken into consideration by the ANN. Experimental set-up has been performed to validate the efficiency of this method. The efficiency of this approach has been confirmed by the obtained results in terms of waveforms. Moreover, the obtained error vector magnitude (EVM) and the mean absolute error (MAE) have been calculated in order to confirm and to test the ANN’s performance to achieve I/Q recovery using the output voltage detected by the power based detector. The baseband signal has been recovered using ANN with EVMs no higher than 1 % and an MAE no higher than 17, 26 for the SPR excited different type of signals such QAM (quadrature amplitude modulation) and LTE (Long Term Evolution).

Keywords: six-port based receiver; calibration, nonlinearity, memory effect, artificial neural network

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Authors: Maha Sliti, Walid Abdallah, Noureddine Boudriga

Abstract:

In the frame of this work, we present an optical multicasting approach based on optical code-words. Our approach associates, in the edge node, an optical code-word to a group multicast address. In the core node, a set of tunable decoders are used to send a traffic data to multiple destinations based on the received code-word. The use of code-words, which correspond to the combination of an input port and a set of output ports, allows the implementation of an optical switching matrix. At the reception of a burst, it will be delayed in an optical memory. And, the received optical code-word is split to a set of tunable optical decoders. When it matches a configured code-word, the delayed burst is switched to a set of output ports.

Keywords: optical multicast, optical burst switching networks, optical code-words, tunable decoder, virtual optical memory

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Authors: Souha Bouagila, Soufiene Ilahi, Noureddine Yacoubi

Abstract:

We have used Photothermal deflection spectroscopy PTD to investigate the impact of thermal annealing on electronics properties of GaInAsSb/GaSb.GaInAsSb used as an active layer for Vertical Cavity Surface Emitting laser (VCSEL). We have remarked that surface recombination velocity (SRV) from 7963 m / s (± 6.3%) to 1450 m / s (± 3.6) for as grown to sample annealed for 60 min. Accordingly, Force Microscopy images analyses agree well with the measure of surface recombination velocity. We have found that Root-Mean-Square Roughness (RMS) decreases as respect of annealing time. In addition, we have that the diffusion length and minority carrier mobility have been enhanced according to annealing time. However, due to annealing effects, the interface recombination velocity (IRV) is increased from 1196 m / s (± 5) to 6000 m/s (5%) for GaInAsSb in respect of annealed times.

Keywords: nonradiative lifetime, mobility of minority carrier, diffusion length, Surface and interface recombination velocity

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Authors: Rachid Marzoug, Noureddine Lakouari, Beatriz Castillo Téllez, Margarita Castillo Téllez, Gerardo Alberto Mejía Pérez

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This paper developed a two-lane cellular automata model to explain the relationship between car accidents at a signalized intersection and traffic-related parameters. It is found that the increase of the lane-changing probability P?ₕ? increases the risk of accidents, besides, the inflow α and the probability of accidents Pₐ? exhibit a nonlinear relationship. Furthermore, depending on the inflow, Pₐ? exhibits three different phases. The transition from phase I to phase II is of first (second) order when P?ₕ?=0 (P?ₕ?>0). However, the system exhibits a second (first) order transition from phase II to phase III when P?ₕ?=0 (P?ₕ?>0). In addition, when the inflow is not very high, the green light length of one road should be increased to improve road safety. Finally, simulation results show that the traffic at the intersection is safer adopting symmetric lane-changing rules than asymmetric ones.

Keywords: two-lane intersection, accidents, fatality risk, lane-changing, phase transition

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Authors: Ameur Soukaina, Zeroual Abdellah, Mazoir Noureddine

Abstract:

Molecular Electron Density Theory (MEDT) elucidates the regioselectivity of the [4+2] cycloaddition reaction between 3-aroylpyrrolo[1,2-α]quinoxaline-1,2,4(5H)-trione and butyl vinyl ether Regioselectivity and stereoselectivity. The regioselectivity mechanisms of these reactions were investigated by evaluating potential energy surfaces calculated for cycloaddition processes and DFT density-based reactivity indices. These methods have been successfully applied to predict preferred regioisomers for different method alternatives. Reactions were monitored by performing transition state optimizations, calculations of intrinsic reaction coordinates, and activation energies. The observed regioselectivity was rationalized using DFT-based reactivity descriptors such as the Parr function. Solvent effects were also investigated in 1,4-dioxane solvent using a field model for self-consistent reactions. The results were compared with experimental data to find good agreement.

Keywords: cycloaddition, DFT, ELF, MEDT, parr, stereoselectivité

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