Search results for: Rachid Mahmoud

Authors: Ahmed Abbou, Ali Mousmi, Rachid El Akhrif

Abstract:

This research paper aims to reduce the chattering phenomenon due to control by sliding mode control applied on a wind energy conversion system based on the doubly fed induction generator (DFIG). Our goal is to offset the effect of parametric uncertainties and come as close as possible to the dynamic response solicited by the control law in the ideal case and therefore force the active and reactive power generated by the DFIG to accurately follow the reference values which are provided to it. The simulation results using Matlab / Simulink demonstrate the efficiency and performance of the proposed technique while maintaining the simplicity of control by first order sliding mode.

Keywords: correction of the equivalent command, DFIG, induction machine, sliding mode controller

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Authors: Sarah Abdourraziq, Rachid El Bachtiri

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The solar power source for pumping water is one of the most promising areas in photovoltaic applications. The implementation of these systems allows to protect the environment and reduce the CO₂ gas emission compared to systems trained by diesel generators. This paper presents a comparative study between the photovoltaic pumping system driven by DC motor, and AC motor to define the optimum design of this application. The studied system consists of PV array, DC-DC Boost Converter, inverter, motor-pump set and storage tank. The comparison was carried out to define the characteristics and the performance of each system. Each subsystem is modeled in order to simulate the whole system in MATLAB/ Simulink. The results show the efficiency of the proposed technique.

Keywords: photovoltaic water pumping system, DC motor-pump, AC motor-pump, DC-DC boost converter

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Authors: Rachid Fermous, Rima Mebrek

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Plasma expansion is an important physical process that takes place in laser interactions with solid targets. Within a self-similar model for the hydrodynamic multi-fluid equations, we investigated the expansion of dense plasma. The weakly relativistic electrons are produced by ultra-intense laser pulses, while ions are supposed to be in a non-relativistic regime. It is shown that dense plasma expansion is found to be governed mainly by quantum contributions in the fluid equations that originate from the degenerate pressure in addition to the nonlinear contributions from exchange and correlation potentials. The quantum degeneracy parameter profile provides clues to set the limit between under-dense and dense relativistic plasma expansions at a given density and temperature.

Keywords: plasma expansion, quantum degeneracy, weakly relativistic, under-dense plasma

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Authors: Imane Benghalia, Mohammed Zamoum, Rachid Boucetta

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Hydrodynamic cavitation is a complex physical phenomenon that appears in hydraulic systems (pumps, turbines, valves, Venturi tubes, etc.) when the fluid pressure decreases below the saturated vapor pressure. The works carried out in this study aimed to get a better understanding of the cavitating flow phenomena. For this, we have numerically studied a cavitating bubbly flow through a Venturi nozzle. The cavitation model is selected and solved using a commercial computational fluid dynamics (CFD) code. The obtained results show the effect of the inlet pressure (10, 7, 5, and 2 bars) of the Venturi on pressure, the velocity of the fluid flow, and the vapor fraction. We found that the inlet pressure of the Venturi strongly affects the evolution of the pressure, velocity, and vapor fraction formation in the cavitating flow.

Keywords: cavitating flow, CFD, phase change, venturi

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Authors: Khaled Harrar, Rachid Jennane

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The purpose of this study is the discrimination of 28 postmenopausal with osteoporotic femoral fractures from an age-matched control group of 28 women using texture analysis based on fractals. Two pre-processing approaches are applied on radiographic images; these techniques are compared to highlight the choice of the pre-processing method. Furthermore, the values of the fractal dimension are compared to those of the fractal signature in terms of the classification of the two populations. In a second analysis, the BMD measure at proximal femur was compared to the fractal analysis, the latter, which is a non-invasive technique, allowed a better discrimination; the results confirm that the fractal analysis of texture on calcaneus radiographs is able to discriminate osteoporotic patients with femoral fracture from controls. This discrimination was efficient compared to that obtained by BMD alone. It was also present in comparing subgroups with overlapping values of BMD.

Keywords: osteoporosis, fractal dimension, fractal signature, bone mineral density

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Authors: Bachir Chemani, Rachid Halfaoui

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The aim of work is to define the distribution density of winding yarn on cylindrical and conical bobbins. It is known that parallel winding gives greater density and more regular distribution, but the unwinding of yarn is much more difficult for following process. The conical spool has an enormous advantage during unwinding and may contain a large amount of yarns, but the density distribution is not regular because of difference in diameters. The variation of specific density over the reel height is explained generally by the sudden change of winding speed due to direction movement variation of yarn. We determined the conditions of uniform winding and developed a calculate model to the change of the specific density of winding wire over entire spool height.

Keywords: textile, cylindrical bobbins, conical bobbins, parallel winding, cross winding

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Authors: Sofia Ayouche, Rachid Ellaia, Rajae Aboulaich

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Today, insurers may use the yield curve as an indicator evaluation of the profit or the performance of their portfolios; therefore, they modeled it by one class of model that has the ability to fit and forecast the future term structure of interest rates. This class of model is the Nelson-Siegel-Svensson model. Unfortunately, many authors have reported a lot of difficulties when they want to calibrate the model because the optimization problem is not convex and has multiple local optima. In this context, we implement a hybrid Particle Swarm optimization and Nelder Mead algorithm in order to minimize by least squares method, the difference between the zero-coupon curve and the NSS curve.

Keywords: optimization, zero-coupon curve, Nelson-Siegel-Svensson, particle swarm optimization, Nelder-Mead algorithm

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Authors: Rachid Kacem, Sara Talbi, Yasmina Hemissi, Sofia Bouguattoucha

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The aim of the present work is the evaluation of the antioxidant activity of the Peganum harmala (P. harmala) seeds extracts. The antioxidant activity was evaluated by applying two methods, the method of ß-carotene bleaching and DPPH (2, 2-Diphenyl-1-Picryl-Hydrazyl). Using Folin-Ciocalteu assay, these results revealed that the concentration of polyphenols in EthOH E. (122.28 ± 2.24 µg GAE/mg extract) is the highest. The antiradical activity of the P. harmala seeds extracts on DPPH was found to be dose dependent with polyphenols concentration. The E. EthOH extract showed the highest antioxidant activity (IC = 252.10 ± 11.18 μg /ml). The test of β-carotene bleaching indicates that the E. EthOH of P. harmala showed the highest percentage of the antioxidant activity (49.88 %).

Keywords: antioxidant activity, Peganum harmala, polyphenols, flavonoids

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Authors: Abdou Mahmoud Abdou Hussein

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We attempt, in this paper, to spot the light on the difference between the two concepts (diglossia and bilingualism). Thus, we will show the definition of these two concepts among various perspectives. On the other hand, we will emphasize and highlight 'diglossa' in The Arabic language historically. Furthermore, we will illustrate the factors of the diglossia, the impact of diglossia on the learners of Arabic (native and non native speakers) and finally the suggested solutions for this issue.

Keywords: Arabic linguistics, diglossia, bilingualism, native and non-native speakers

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Authors: Rachid El Aidani, Phuong Nguyen-Tri, Toan Vu-Khanh

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This study intends to show the influence of the hydrolytic degradation on the properties of the e-PTFE/NOMEX® membranes used in fire-protective clothing. The modification of water vapour permeability, morphology and chemical structure was examined by MOCON Permatran, electron microscopy scanning (SEM), and ATR-FTIR, respectively. A decrease in permeability to water vapour of the aged samples was observed following closure of transpiration pores. Analysis of fiber morphology indicates the appearance of defects at the fibers surface with the presence of micro cavities as well as the of fibrils. ATR-FTIR analysis reveals the presence of a new absorption band attributed to carboxylic acid terminal groups generated during the amide bond hydrolysis.

Keywords: hydrolytic ageing, moisture membrane, water vapor permeability, morphology

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Authors: Nora Arbaoui, Rachid Tadili, Ilham Ihoume

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Climate change and its effects on low external temperatures in winter require great consumption of energy to improve the greenhouse microclimate and increase agricultural production. To reduce the amount of energy consumed, a solar system has been developed to heat an agricultural greenhouse. This system is based on a transfer fluid that will circulate inside the greenhouse through a solar copper coil positioned on the roof of the greenhouse. This thermal energy accumulated during the day will be stored to be released during the night to improve the greenhouse’s microclimate. The use of this solar heating system has resulted in an average increase in the greenhouse’s indoor temperature of 8.3°C compared to the outdoor environment. This improved temperature has created a more favorable climate for crops and has subsequently had a positive effect on their development, quality, and production.

Keywords: solar system, agricultural greenhouse, heating, cooling, storage, drying

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Authors: Brahim Mahfoud, Rachid Bessaïh

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In this paper, a numerical study of steady and oscillatory flows with heat transfer submitted to an axial magnetic field is studied. The governing Navier-Stokes, energy, and potential equations along with appropriate boundary conditions are solved by using the finite-volume method. The flow and temperature fields are presented by stream function and isotherms, respectively. The flow between counter-rotating end disks is very unstable and reveals a great richness of structures. The results are presented for various values of the Hartmann number, Ha=5, 10, 20, and 30, and Richardson numbers , Ri=0, 0.5, 1, 2, and 4, in order to see their effects on the value of the critical Reynolds number, Recr. Stability diagrams are established according to the numerical results of this investigation. These diagrams put in evidence the dependence of Recr with the increase of Ha for various values of Ri.

Keywords: swirling, counter-rotating end disks, magnetic field, oscillatory, cylinder

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Authors: Aliaa M. Issa, Mahmoud N. ElRouby, Sahar A. S. Ahmad, Mahmoud M. El-Merzabani

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Sider honey is a type of honey produced by bees feeding on the nectar of Sider tree, Ziziphus spina-christi (L) Desf . Honey is an effective agent for preventing, inhibiting and treating the growth of human and animal cancer cell lines in vitro and in vivo. The aim of the present study was to evaluate the impact of different dilutions from crude Sider honey and different duration times of exposure on the growth of six tumor cell lines (human cervical cancer cell line, HeLa; human hepatocellular carcinoma cell line, HepG-2; human larynx carcinoma cell line, Hep-2; brain tumor cell line, U251) as well as one animal cancerous cell line (Ehrlich ascites carcinoma cells line, EAC) and one normal cell line, Homo sapiens, human, (WISH) CCL-25. Different concentrations and treatment durations with Sider honey were tested on the growth of several cancer cell lines types. Histopathological changes in the tumor masses, animal survival, apoptosis and necrosis of the used cancer cell lines (using flow cytometry) were evaluated. Sider honey was administers either to the tumor mass itself by intratumoral injection or via drinking water. One-way ANOVA test was used for the analysis of (the means + standard error) of the optical density obtained from the Elisa reader and flow cytometry. The study revealed that different concentrations of Sider honey affected the growth patterns of all the studied cancer cell lines as well as their histopathological changes, and it depended on the cell line nature and the concentration of honey used. It is obvious that the relative animal survival percentage (bearing Ehrlich ascites carcinoma, EAC cells) was proportionally increased with the increase in the used honey concentrations. The study of apoptosis and necrosis using the flow cytometry technique emphasized the viability results. In conclusion, Sider honey was effective as antitumor agent, in the used concentrations.

Keywords: antitumor, honey, sider, tumor cell lines

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Authors: Bachir Belmadani, Rachid Taleb, M’hamed Helaimi

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Multilevel inverters are well used in high power electronic applications because of their ability to generate a very good quality of waveforms, reducing switching frequency, and their low voltage stress across the power devices. This paper presents the hybrid pulse-width modulation (HPWM) strategy of a uniform step asymmetrical cascaded H-bridge nine-level Inverter (USACHB9LI). The HPWM approach is compared to the well-known sinusoidal pulse-width modulation (SPWM) strategy. Simulation results demonstrate the better performances and technical advantages of the HPWM controller in feeding a high power induction motor.

Keywords: uniform step asymmetrical cascaded h-bridge high-level inverter, hybrid pwm, sinusoidal pwm, high power induction motor

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Authors: Sarah Abdourraziq, Rachid Elbachtiri

Abstract:

The use of solar energy as a source for pumping water is one of the promising areas in the photovoltaic (PV) application. The energy of photovoltaic pumping systems (PVPS) can be widely improved by employing an MPPT algorithm. This will lead consequently to maximize the electrical motor speed of the system. This paper presents a modified incremental conductance (IncCond) MPPT algorithm with direct control method applied to a standalone PV pumping system. The influence of the algorithm parameters on system behavior is investigated and compared with the traditional (INC) method. The studied system consists of a PV panel, a DC-DC boost converter, and a PMDC motor-pump. The simulation of the system by MATLAB-SIMULINK is carried out. Simulation results found are satisfactory.

Keywords: photovoltaic pumping system (PVPS), incremental conductance (INC), MPPT algorithm, boost converter

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Authors: Mahmoud Mohammad Salem Al-Suod, Ushkarenko O. Alexander, Dorogan I. Olga

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New algorithms using microprocessor systems have been proposed for protection the diesel-generator unit in autonomous power systems. The software structure is designed to enhance the control automata of the system, in which every protection module of diesel-generator encapsulates the finite state machine.

Keywords: diesel-generator unit, protection, state diagram, control system, algorithm, software components

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Authors: Mahmoud Ahmad Mahmoud

Abstract:

The surge in unemployment among nations and the understanding of the important role played by entrepreneurship in job creation by researchers and policy makers have steered to the postulation that entrepreneurship activities can be spurred through the development of entrepreneurial intentions. Notwithstanding, entrepreneurial intention studies are very scarce in the developing world especially in the African continent. Even among the developed countries, studies of entrepreneurial intention were mostly focused on the undergraduate candidates. This paper therefore, aimed at filling the gap by employing the descriptive quantitative survey method to examine the entrepreneurial intention of 158 Nigerian postgraduate candidates of Universiti Utara Malaysia (UUM), comprising 46 Masters and 112 PhD candidates who are studying in the College of Business (COB), College of Arts and Sciences (CAS) and College of Legal, Government and International Studies (COLGIS), the theory of planned behaviour (TPB) model was used due its reputable validity, with attitudes, subjective norms and perceived behavioural control as the independent variables. Preliminary analysis and data screening were conducted which qualifies the data to the multivariate analysis assumptions. The reliability test was performed using the Cronbach Alpha method which shows all variables as reliable with a value of >0.70. However, the data is free from the multicollinearity issue with all factors in the Pearson correlation having <0.9 value and the VIF having <10. Regression analysis has shown the sufficiency and predictive capability of the TPB model to entrepreneurship intention with attitude, subjective norms and perceived behavioural control being positively and significantly related to the entrepreneurial intention of Nigerian postgraduates. Considering the Beta values, perceived behavioural control emerged as the strongest factor that influences the postgraduates entrepreneurial intention. Developing countries are therefore, recommended to make efforts in redesigning their entrepreneurship development policies to fit candidates of the highest level of academia. Further studies should replicate in a larger sample that comprises more than one university and more than one developing country.

Keywords: attitude, entrepreneurial intention, Nigeria, perceived behavioral control, postgraduates, subjective norms

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Authors: Ilham ihoume, Rachid Tadili, Nora Arbaoui

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This study examines the manner in which a solar copper coil heating system performs in a North-South-oriented greenhouse environment. In order to retain heat during the day and release it back ‎into the greenhouse environment at night, this system relies on the circulation of water in a closed ‎loop under the roof of the greenhouse. Experimental research ‎was conducted to compare the results in two identical greenhouses. The first one has a heating system, whilst the second one ‎has not and is regarded as a control. We determined the mass of the heat transfer fluid, which ‎makes up the storage system, needed to heat the greenhouse during the night to be equivalent to ‎‎689 Kg using the heat balance of the greenhouse equipped with a heating system. The findings ‎demonstrated that when compared to a controlled greenhouse without a heating system, the climatic ‎conditions within the experimental greenhouse were greatly enhanced by the solar heating system. ‎‎

Keywords: renewable energy, storage, enviromental impact, heating, agricultural greenhouse

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Authors: Rachid Taleb, M’hamed Helaimi, Djilali Benyoucef, Ahmed Derrouazin

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Multilevel inverters are well used in high power electronic applications because of their ability to generate a very good quality of waveforms, reducing switching frequency, and their low voltage stress across the power devices. This paper presents the Optimal Minimization of the Total Harmonic Distortion (OMTHD) strategy of a uniform step asymmetrical seven-level inverter (USA7LI). The OMTHD approach is compared to the well-known sinusoidal pulse-width modulation (SPWM) strategy. Simulation results demonstrate the better performances and technical advantages of the OMTHD controller in feeding a High Power Induction Motor (HPIM).

Keywords: uniform step asymmetrical seven-level inverter (USA7LI), optimal minimization of the THD (OMTHD), sinusoidal PWM (SPWM), high power induction motor (HPIM)

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Authors: Mahmoud A. Amin, Essam Taman, Ahmed Omran, Mahmoud Shawky, Ahmed Mekawy, Abdallah M. Kotkat, Saber Younes, Nehad N. Ghonemy, Amin Saad, Ezz-Aleslam, Abdullah M. Elosh

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Introduction: TMJ is a one-of-a-kind, complicated synovial joint that helps with masticatory function by allowing the mandible to open and close the mouth. True ankylosis is a situation in which condylar movement is limited by a mechanical defect in the joint, whereas false ankylosis is a condition in which there is a restriction in mandibular movement due to muscular spasm myositis ossificans, and coronoid process hyperplasia. Ankylosis is characterized by the inability to open the mouth due to fusion of the TMJ condyle to the base of the skull as a result of trauma, infection, or systemic diseases such as rheumatoid arthritis (the most common) and psoraisis. Ankylosis causes facial asymmetry and affects the patient psychologically as well as speech, difficult mastication, poor oral hygiene, malocclusion, and other factors. TMJ is a technically challenging joint; hence TMJ ankylosis management is complicated. Case presentation: this case is a male patient 25 years old reported to our maxillofacial clinic in Damietta faculty of medicine, Al-Azhar University with the inability to open the mouth at all, with a history of difficulty of mouth breathing and eating foods, there was a history of falling from height at 2006, and the patient underwent corrective surgery before with no improvement because the ankylosis was relapsed short period after the previous operations with that done out of our hospital inter-incisor distant ZERO so, this condition need mandatory management. Clinical examination and radiological investigations were done after complete approval from the patient and his brother; tracheostomy was done for our patient before the operation. The patient entered the operation in our hospital and drastic improvement in mouth opening was noticed, helping to restore the physical psychological health of the patient.

Keywords: temporomandibular joint, TMJ, Ankylosis, mouth opening, physiotherapy, condylar plate

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Authors: Rachid Dehini, Brahim Berbaoui

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The main objectives of shunt active power filter (SAPF) is to preserve the power system from unwanted harmonic currents produced by nonlinear loads, as well as to compensate the reactive power. The aim of this paper is to present a (PAPF) supplied by the Photovoltaic cells ,in such a way that the (PAPF) feeds the linear and nonlinear loads by harmonics currents and the excess of the energy is injected into the power system. In order to improve the performances of conventional (PAPF) This paper also proposes artificial neural networks (ANN) for harmonics identification and DC link voltage control. The simulation study results of the new (SAPF) identification technique are found quite satisfactory by assuring good filtering characteristics and high system stability.

Keywords: SAPF, harmonics current, photovoltaic cells, MPPT, artificial neural networks (ANN)

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Authors: Nora Arbaoui, Rachid Tadili, Ilham Ihoume

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To improve the climatic conditions and increase production in the greenhouse during the winter season under the Mediterranean climate, this thesis project proposes a design of an integrated and autonomous solar system for heating, cooling, and conservation of production in an agricultural greenhouse. To study the effectiveness of this system, experiments are conducted in two similar agricultural greenhouses oriented north-south. The first greenhouse is equipped with an active solar system integrated into the double glazing of the greenhouse’s roof, while the second greenhouse has no system, it serves as a controlled greenhouse for comparing thermal and agronomic performance The solar system allowed for an average increase in the indoor temperature of the experimental greenhouse of 6°C compared to the outdoor environment and 4°C compared to the control greenhouse. This improvement in temperature has a favorable effect on the plants' climate and subsequently positively affects their development, quality, and production.

Keywords: solar system, agricultural greenhouse, heating, cooling, storage, drying

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Authors: Rachid El Khoury

Abstract:

Chronic pain is perhaps the most burdensome health issue facing the planet. Our understanding of the pathophysiology of chronic pain has increased substantially over the past 25 years, including but not limited to changes in the brain. However, we still do not know why chronic pain develops in some people and not in others. Most of the recent developments in pain science, that have direct relevance to clinical management, relate to our understanding of the role of the brain, the role of the immune system, or the role of cognitive and behavioral factors. Although the Biopsychosocial model of pain management was presented decades ago, the Bio-reductionist model remains, unfortunately, at the heart of many practices across professional and geographic boundaries. A large body of evidence shows that nociception is neither sufficient nor necessary for pain. Pain is a conscious experience that can certainly be, and often is, associated with nociception, however, always modulated by countless neurobiological, environmental, and cognitive factors. This study will clarify the current misconceptions of chronic pain concepts, and their misperceptions by clinicians. It will also attempt to bridge the considerable gap between what we already know on pain but somehow disregarded, the development in pain science, and clinical practice.

Keywords: chronic pain, nociception, biopsychosocial, neuroplasticity

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Authors: Rachid Benmoussa, Fatima Ezzahra Essaber, Roland De Guio, Fatima Zahra Ben Moussa

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Implementing green practices in supply chain management is a complex task mainly because ecological, economical and operational goals are usually in conflict. Green practices might thus face companies’ reluctance because managers can consider its implementation obviously as a performance lean degradation. To implement lean and green practices successfully, companies need relevant decision-making tools to highlight the correlation between them. To contribute to this issue, this work tries to answer the following research question: How to use simulation to assess correlation (antagonism or convergence) between lean and green goals? To answer this question, we propose in this paper a based simulation process that measures correlation generally between two variables. So as to prove its relevance, a logistics academic case study is used to illustrate all its stages. It shows, as for example, that Lean goal 'Stock' and Green goal 'CO₂ emission' are not conceptually correlated (linearly).

Keywords: simulation, lean, green, supply chain

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Authors: Rachid Ed-Dali, Khalid Elasri

Abstract:

Mass media seem to provide a rich content for language acquisition. Exposure to television, the Internet, the mobile phone and other technological gadgets and devices helps enrich the student’s lexicon positively as well as negatively. The difficulties encountered by students while learning and acquiring second languages in addition to their eagerness to comprehend the content of a particular program prompt them to diversify their methods so as to achieve their targets. The present study highlights the significance of certain media channels and their involvement in language acquisition with the employment of the Natural Approach to further grasp whether students, especially secondary and high school students, learn and acquire errors through watching subtitled television programs. The chief objective is investigating the deductive and inductive relevance of certain programs beside the involvement of peripheral learning while acquiring mistakes.

Keywords: errors, mistakes, Natural Approach, peripheral learning, solecism

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Authors: Mahmoud Reza Hosseini

Abstract:

In this study, a comprehensive energy model is proposed and utilized to study the birth of universe from the state of nothing. The state of nothing main specification is introduced and its role in the creation of universe is studied. In addition, the current research work provides a different approach to some of the ongoing paradox in cosmology such as the singularity at the beginning of big bang, and the expansion of universe at an accelerated rate. Also, the possible mechanism responsible for the creation of space-time domain is investigated.

Keywords: big bang, cosmic inflation, birth of universe, energy creation, universe evolution

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Authors: Mohamed Moustafa Mahmoud Sedky

Abstract:

The double-fed induction generator wind turbine has recently received a great attention. The steady state performance and response of double fed induction generator (DFIG) based wind turbine are now well understood. This paper presents the analysis of stator and rotor flux linkage dq models operation of DFIG under different faults and at different locations.

Keywords: double fed induction motor, wind energy, flux linkage, short circuit

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Authors: Mahmoud H. Aboul-Ela, Riham R. Mohamed, Magdy W. Sabaa

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Synthesis of cross-linked hydrogels composed of trimethyl chitosan (TMC) and poly(vinyl alcohol) (PVA) in different weight ratios in presence of glutaraldehyde as cross-linking agent. Characterization of the prepared hydrogels was done using FTIR, XRD, SEM and TGA. The prepared hydrogels were investigated as adsorbent materials for some transition metal ions from their aqueous solutions. Moreover, the swell ability of the prepared hydrogels was also investigated in both acidic and alkaline pHs, as well as in simulated body fluid (SBF).

Keywords: trimethyl chitosan, hydrogels, metal uptake, superabsorbent materials

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Authors: Nayla El-Kork, Farah Korjieh, Ahmed Bentiba, Mahmoud Korek

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Ab-initio calculations have been performed to investigate the spectroscopic constants for the diatomic compound BeF. Values of the internuclear distance Re, the harmonic frequency ωe, the rotational constants Be, the electronic transition energy with respect to the ground state Te, the eignvalues Ev, the abscissas of the turning points Rmin, Rmax, the rotational constants Bv and the centrifugal distortion constants Dv have been calculated for the molecule’s ground and excited electronic states. Results are in agreement with experimental data.

Keywords: spectroscopic constant, potential energy curve, diatomic molecule, spectral analysis

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Authors: Rahma Tibigui, Ikram Hadj Said, Rachid Belkada, Dalila Hammoutene

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The vulnerability of industrial facilities is highly concerned with multiple risks from corrosion. The commonly adopted solution is based on the use of organic inhibitors, which are gradually being replaced by environmentally friendly organic inhibitors. In our work, we carried out a quantum chemical study based on the Density Functional Theory (DFT) method at the B3LYP/6-311G (d,p) level of theory. The inhibitory performance of a derivative of the tetrazole molecule has been investigated and reported as a carbon steel-friendly corrosion inhibitor in hydrochloric acid (HCl) medium. The relationship is likely to exist between the molecular structure of this compound as well as its various global reactivity descriptors, and its corrosion inhibition efficiency, which was examined and then discussed. The results show low values of ΔE, which represent strong adsorption of the inhibitor on the steel surface. Moreover, the flat adsorption orientation confirmed the great ability to donate (accept) electrons to (from) steel, fabricating an anchored barrier to prevent steel from corrosion.

Keywords: eco-friendly, corrosion inhibitors, tetrazole, DFT

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