Search results for: Raouf Ahmed Mohamed Hassan

Authors: Roumaissa Derdour, Lebbal Mohamed Redha

Abstract:

We present a study of the transmission of the all-optical logic gate using a structure connected with a triangular photonic crystal lattice that is improved. The proposed logic gate consists of a photonic crystal nano-resonator formed by changing the size of the air holes. In addition to the simplicity, the response time is very short, and the designed nano-resonator increases the bit rate of the logic gate. The two-dimensional finite difference time domain (2DFDTD) method is used to simulate the structure; the transmission obtained is about 98% with very negligible losses. The proposed photonic crystal AND logic gate is widely used in future integrated optical microelectronics.

Keywords: logic gates, photonic crystals, optical integrated circuits, resonant cavities

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Authors: Hassan Badkoobehi, Pradip Peter Dey, Mohammad Amin, Milan Jose Carlos, Basmal Hana, Fadi Zaco

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The economy of coastline areas depends on the natural splendor of estuaries. When estuaries are improperly managed or polluted, long or short term damage to local economy or harm to local life forms can be caused. Estuaries are shelters for thousands of species such as birds, mammals, fish, crustaceans, insects, reptiles, and amphibians. The delicate balance of these life forms in estuaries requires careful planning for the benefit of all. The commercial value of estuaries is very important; recreational activities that people enjoy like boating, kayaking, windsurfing, swimming, bird-watching and fishing are marketable. Estuaries are national treasures with vital community and ecological resources. Years of estuarine environmental studies have produced extensive results that merit consideration. This study reviews research results from various sources and suggests best strategies for maintaining healthy estuaries in the current socioeconomic conditions. The main hypothesis is that many estuaries can be restored to their original healthy status in a cost effective manner with restoration or prevention plans suggested in published studies.

Keywords: environment, pollution, sustainable, wildlife

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Authors: Adel Belayadi, Ahmed Mougari, Boualem Bourahla

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Molecular junctions are currently considered a promising style in the miniaturization of electronic devices. In this contribution, we provide a tight-binding model to investigate the quantum transport properties across-molecular junctions sandwiched between 2D-graphene nanoribbons in the zigzag direction. We investigate, in particular, the effect of embedded atoms such as Gold and Silicon across the molecular junction. The results exhibit a resonance behavior in terms of incident Fermi levels, depending on the molecular junction type. Additionally, the transport properties under a perpendicular magnetic field exhibit an oscillation for the transmittance versus the magnetic field strength.

Keywords: molecular junction, 2D-graphene nanoribbons, quantum transport properties, magnetic field

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Authors: Haythem Barrak, Gaetan Laroche, Adel M’nif, Ahmed Hichem Hamzaoui

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The use of semiconductor oxides, as chemical or biological, requires their functionalization with appropriate dependent molecules of the substance to be detected. generally, the support materials used are TiO2 and SiO2. In the present work, we used zinc oxide (ZnO) known for its interesting physical properties. The synthesis of nano scale ZnO was performed by co-precipitation at low temperature (60 ° C).To our knowledge, the obtaining of this material at this temperature was carried out for the first time. This shows the low cost of this operation. On the other hand, the surface functionalization of ZnO was performed with (3-aminopropyl) triethoxysilane (APTES) by using a specific method using ethanol for the first time. In addition, the duration of this stage is very low compared to literature. The samples obtained were analyzed by XRD, TEM, DLS, FTIR, and TGA shows that XPS that the operation of grafting of APTES on our support was carried out with success.

Keywords: functionalization, nanoparticle, ZnO, APTES, caractérisation

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Authors: Nizar Bouguerra, Ahmed Khabou, Sébastien Poncet, Saïd Elkoun

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The present work focuses on the preparation and the stabilization of Al₂O₃-water based nanofluids. Though they have been widely considered in the past, to the best of our knowledge, there is no clear consensus about a proper way to prepare and stabilize them by the appropriate surfactant. In this paper, a careful experimental investigation is performed to quantify the combined influence of pH and the surfactant on the stability of Al₂O₃-water based nanofluids. Two volume concentrations of nanoparticles and three nanoparticle sizes have been considered. The good preparation and stability of these nanofluids are evaluated through thermal conductivity measurements. The results show that the optimum value for the thermal conductivity is obtained mainly by controlling the pH of the mixture and surfactants are not necessary to stabilize the solution.

Keywords: nanofluid, thermal conductivity, pH, transient hot wire, surfactant, Al2O3, stability, dispersion, preparation

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Authors: Nur Azlina Mohamed Mokmin, Mona Masood

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Guided by the theory of learning style, this study is based on the development of a multimedia learning application for students with mastery learning style. The learning material was developed by applying a graduated difficulty learning strategy. Algebraic fraction was chosen as the learning topic for this application. The effectiveness of this application in helping students learn is measured by giving a pre- and post-test. The result shows that students who learn using the learning material that matches their preferred learning style performs better than the students with a non-personalized learning material.

Keywords: algebraic fractions, graduated difficulty, mastery learning style, multimedia

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Authors: H. El-Kamchouchi, Heba Gaber, Fatma Ahmed, Dalia H. El-Kamchouchi

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Fault tolerance and data security are two important issues in modern communication systems. During the transmission of data between the sender and receiver, errors may occur frequently. Therefore, the sender must re-transmit the data to the receiver in order to correct these errors, which makes the system very feeble. To improve the scalability of the scheme, we present a proxy signature scheme with fault tolerance over an efficient and secure authenticated key agreement protocol based on the improved RSA system. Authenticated key agreement protocols have an important role in building a secure communications network between the two parties.

Keywords: fault tolerance, improved RSA, key agreement, proxy signature

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Authors: Mohamed Elkhouli

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This research sets out to identify some social factors or variables that may need to be controlled in order to decrease the volume of unemployed in Egypt. As well as, it comes to investigate the relationship between a set of social variables and unemployment issue in Egypt in the sake of determining the most important social variables influencing the rise of unemployed during the time series targeted (2002-2012). Highlighting the unemployment issue is becoming an increasingly important topic in all countries throughout the world resulting from expand their globalization efforts. In general, the study tries to determine what the most social priorities are likely to adopt seriously by the Egypt's government in order to solve the unemployed problem. The results showed that the low value for both of small projects and the total value of disbursed social security respectively have significant impact on increasing the No. of unemployed in Egypt, according to the target period by the current study.

Keywords: Egypt, social status, unemployment, unemployed

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Authors: Mohamed Mahmoud

Abstract:

This paper has developed an effect-cause analysis technique for fault diagnosis in digital circuits. The main algorithm of our technique is based on the Enhanced Deduction Algorithm, which processes the real response of the CUT to the applied test T to deduce the values of the internal lines. An experimental version of the algorithm has been implemented in C++. The code takes about 7592 lines. The internal values are determined based on the logic values under the permanent stuck-fault model. Using a backtracking strategy guarantees that the actual values are covered by at least one solution, or no solution is found.

Keywords: enhanced deduction algorithm, backtracking strategy, automatic test equipment, verfication

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Authors: T. K. Tee, M. N. A. Azman, S. Mohamed, M. Muhammad, M. M. Mohamad, J. Md Yunos, M. H. Yee, W. Othman

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Buzan mind mapping is an efficient system of note-taking that makes revision a fun thing to do for students. Tony Buzan has been teaching children all over the world for the past thirty years and has proved that mind maps are the magic formula in the classroom for everyone. The purpose of this paper is to discuss the importance of Buzan mind mapping as a note-taking technique for the secondary school students. This paper also examines the mind mapping technique, advantages and disadvantages of hand-drawn mind maps. Samples of students’ mind maps were presented and discussed.

Keywords: Buzan mind mapping, note-taking technique, hand-drawn, mind maps

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Authors: Anika Zafiah M. Rus, Nik Normunira Mat Hassan

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Biopolymer made from renewable material are one of the most important group of polymer because of their versatility and they can be manufactured in a wide range of densities and stiffness. In this project, biopolymer based on waste vegetable oil were synthesized and crosslink with commercial polymethane polyphenyl isocyanate (known as BF).The BF was compressed by using hot compression moulding technique at 90 oC based on the evaporation of volatile matter and known as compress biopolymer (CB). The density, vibration and damping characteristic of CB were determined after UV irradiation. Treatment with titanium dioxide (TiO2) was found to affect the physical property of compress biopolymer composite (CBC). The density of CBC samples was steadily increased with an increase of UV irradiation time and TiO2 loading. The highest density of CBC samples is at 10 % of TiO2 loading of 1.1088 g/cm3 due to the amount of filler loading. The vibration and damping characteristic of CBC samples was generated at displacements of 1 mm and 1.5 mm and acceleration of 0.1 G and 0.15 G base excitation according to ASTM D3580-9. It was revealed that, the vibration and damping characteristic of CBC samples is significantly increased with the increasing of UV irradiation time, lowest thickness and percentages of TiO2 loading at the frequency range of 15 - 25 Hz. Therefore, this study indicated that the damping property of CBC could be improved upon prolonged exposure to UV irradiation.

Keywords: biopolymer flexible foam, TGA, UV irradiation, vibration and damping

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Authors: Saad M. Howladar, Ashraf Sh. Osman, Mostafa M. Rady, Hassan S. Al-Zahrani

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The effects of soil inoculation with phosphorien-containing Phosphate-Dissolving Bacteria (PDB) and/or magnesium (Mg) foliar application at the rates of 0, 0.5 and 1mM on growth, green pod and seed yields, and chemical constituents of Pisum sativum L. grown on a sandy calcareous soil were investigated. Results indicated that PDB and/or Mg significantly increased shoot length, number of branches plant–1, total leaf area plant–1 and canopy dry weight plant–1, leaf contents of pigments, soluble sugars, free proline, nitrogen, phosphorus, potassium, magnesium, and calcium, and Ca/Na ratio, while leaf Na content was reduced. PDB and/or Mg also increased green pod and seed yields. We concluded that PDB and Mg have pronounced positive effects on Pisum sativum L. plants grown on sandy calcareous soil. PDB and Mg, therefore, have the potential to be applied for various crops to overcome the adverse effects of the newly-reclaimed sandy calcareous soils.

Keywords: bio-p-fertilizer, mg foliar application, newly-reclaimed soils, Pisum sativum L.

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Authors: Noha Nagy, Hoda Mokhtar, Mohamed El Sherkawi

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The popularity of workflow delegation models and the increasing number of workflow provenance-aware systems motivate the need for finding more strict delegation models. Such models combine different approaches for enhanced security and respecting workflow privacy. Although modern enterprises seek conformance to workflow constraints to ensure correctness of their work, these constraints pose a threat to security, because these constraints can be good seeds for attacking privacy even in secure models. This paper introduces a comprehensive Workflow Delegation Model (WFDM) that utilizes provenance and workflow constraints to prevent malicious delegate from attacking workflow privacy as well as extending the delegation functionalities. In addition, we argue the need for exploiting workflow constraints to improve workflow security models.

Keywords: workflow delegation models, secure workflow, workflow privacy, workflow provenance

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Authors: Waheed Zahra, Mohamed El-Beltagy, Ashraf El Mhlawy, Reda Elkhadrawy

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In this paper, we consider singular perturbation reaction-diffusion boundary value problems, which contain a small uncertain perturbation parameter. To solve these problems, we propose a numerical method which is based on an exponential spline and Shishkin mesh discretization. While interval analysis principle is used to deal with the uncertain parameter, sensitivity analysis has been conducted using different methods. Numerical results are provided to show the applicability and efficiency of our method, which is ε-uniform convergence of almost second order.

Keywords: singular perturbation problem, shishkin mesh, two small parameters, exponential spline, interval analysis, sensitivity analysis

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Authors: Mohamed Rabhi, Kouider Halim Benrahou

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The rheological properties of the carbonyl-methylcellulose (CMC), of different concentrations (25000, 50000, 60000, 80000 and 100000 ppm) and different temperatures were studied. We found that the rheological behavior of all CMC solutions presents a pseudo-plastic behavior, it follows the model of Ostwald-de Waele. The objective of this work is the modeling of flow by the CMC Cross model. The Cross model gives us the variation of the viscosity according to the shear rate. This model allowed us to adjust more clearly the rheological characteristics of CMC solutions. A comparison between the Cross model and the model of Ostwald was made. Cross the model fitting parameters were determined by a numerical simulation to make an approach between the experimental curve and those given by the two models. Our study has shown that the model of Cross, describes well the flow of "CMC" for low concentrations.

Keywords: CMC, rheological modeling, Ostwald model, cross model, viscosity

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Authors: Mohamed Elshobaki, Alessandro Valiani, Valerio Caleffi

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In this paper, we solve 1-D shallow water equation for sub-critical and super-critical water flow at junction. The water flow at junction has been studied for the last 50 years from the physical-hydraulic point of views and for numerical computations need more attention. For numerical simulation, we need to establish an inner boundary condition at the junction to avoid an oscillation which rise from the waves interactions at the junction. Indeed, we introduce a new boundary condition at the junction based on the mass conservation, total head, and the admissible wave relations between the flow parameters in the three branches to predict the water depths and discharges at the junction. These boundary conditions are valid for sub-critical flow and super-critical flow.

Keywords: numerical simulation, junction flow, sub-critical flow, super-critical flow

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Authors: Rajaa Filali, Mohamed Bouhdadi

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This paper presents an incremental development of the Dynamic Host Configuration Protocol (DHCP) in Event-B. DHCP is widely used communication protocol, which provides a standard mechanism to obtain configuration parameters. The specification is performed in a stepwise manner and verified through a series of refinements. The Event-B formal method uses the Rodin platform to modeling and verifying some properties of the protocol such as safety, liveness and deadlock freedom. To model and verify the protocol, we use the formal technique Event-B which provides an accessible and rigorous development method. This interaction between modelling and proving reduces the complexity and helps to eliminate misunderstandings, inconsistencies, and specification gaps.

Keywords: DHCP protocol, Event-B, refinement, proof obligation, Rodin

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Authors: Mostefa Bendouba, Djebli Abdelkader, Abdelkrim Aid, Mohamed Benguediab

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The damage evolution mechanism is one of the important focuses of fatigue behaviour investigation of composite materials and also is the foundation to predict fatigue life of composite structures for engineering application. This paper is dedicated to a damage investigation under two block loading cycle fatigue conditions submitted to composite material. The loading sequence effect and the influence of the cycle ratio of the first stage on the cumulative fatigue life were studied herein. Two loading sequences, i.e., high-to-low and low-to-high cases are considered in this paper. The proposed damage indicator is connected cycle by cycle to the S-N curve and the experimental results are in agreement with model expectations. Some experimental researches are used to validate this proposition.

Keywords: fatigue, damage acumulation, composite, evolution

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Authors: Abasse Kamarchou, Ahmed Abdelhafid Bebba, Ali Douadi

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The objective of this work is the preparation of an activated carbon from waste date palm from El Oued region, namely the date stones and its use in the treatment of wastewater in this region. The study of the characteristics of this coal has the following results: specific surface 125.86 m2 / g, pore volume 0.039 cm3 / g, pore diameter of 16.25 microns, surface micropores 92.28 m2 / g, the outer surface 33,57 m2 /g, methylene blue number of 13.6 mg / g, iodine number 735.2 mg /g, the functional groups are the number of 4.10-2 mol / g. The optimum conditions for pH, stirring speed, initial concentration, contact time were determined. For organic pollutants, the best conditions are: pH > 8 and pH < 5, a contact time of 5 minutes and an agitation rate of 200 - 300 rpm.

Keywords: date palm, activated carbon, wastewater, El-Oued

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Authors: Mohamed Mehdi Kadri

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The prediction of hot shale interval in Silurian formation in a well drilled vertically in Ahnet basin Is by logging Data (Resistivity, Gamma Ray, Sonic) with the calculation of total organic carbon (TOC) using ∆ log R Method. The aim of this paper is to present Physico-chemical Properties of Hot Shale using IR spectroscopy and gas chromatography-mass spectrometry analysis; this mixture of measurements, evaluation and characterization show that the hot shale interval located in the lower of Silurian, the molecules adsorbed at the surface of shale sheet are significantly different from petroleum hydrocarbons this result are also supported with gas-liquid chromatography showed that the study extract is a hydroxypropyl.

Keywords: physic-chemical analysis, reservoirs characterization, sweet window evaluation, Silurian shale, Ahnet basin

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Authors: Jamileh Ahmed, Helena Hernandez, Gabriel De Erausquin

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H1N1 virus susceptibility of iPSC-derived DA neurons from schizophrenia patients and controls will compared. C57/BL-6 fibroblasts were reprogrammed into iPSCs using a lenti-viral vector containing SOKM genes. Pluripotency verification with the AP assay and immunocytochemistry ensured iPSC presence. The experimental outcome of ISPCs from DA neuron differentiation will be discussed in the Results section. Fibroblasts from patients and controls will be reprogrammed into iPSCs using a sendai-virus vector containing SOKM. IPSCs will be characterized using the AP assay, immunocytochemistry and RT-PCR. IPSCs will then be differentiated into DA neurons. Gene methylation will be compared for both groups with custom-designed microarrays.

Keywords: schizophrenia, iPSCs, stem cells, neuroscience

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Authors: Ahmed Elsebaay, Maged A. Abu Adma, Mahmoud Ramadan

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This study presents a technique clarifying the effect of ambient air temperature and loads power factor changing from standard values on electric generator power rating. The study introduces an optimized technique for selecting the correct electric generator power rating for certain application and operating site ambient temperature. The de-rating factors due to the previous effects will be calculated to be applied on a generator to select its power rating accurately to avoid unsafe operation and save its lifetime. The information in this paper provides a simple, accurate, and general method for synchronous generator selection and eliminates common errors.

Keywords: ambient temperature, de-rating factor, electric generator, power factor

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Authors: Dauda G., Bila Ha Sani Y. M., Magaji M. G., Musa A. M., Hassan H. S.

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Introduction: Globimetula oreophila is a parasitic plant with a known therapeutic value that is widely used in the treatment of various ailments, including malaria, hypertension, cancer, diabetes, epilepsy and as a diuretic agent. Objectives: The present study is aimed at analyzing and documenting the level of trace and toxic metals in the crude ethanol leaf extract of G. oreophila. Methods: After collection and authentication, the leaves were air-dried, mashed into powder, weighed and extracted using aqueous ethanol (70%). The crude extract (0.5g) was digested with HNO₃: HCl (3:1); then heated to 2000C and analyzed for its metal content by atomic absorption spectroscopy (AAS). Results: Fe had the highest concentration (32.73mg/kg), while Pb was not detected. The concentrations of Co, Cu, Ni, Zn and Cd detected were 5.97, 10.8, 8.01 and 0.9mg/kg, respectively. The concentration of Cd, Fe and Ni were above the permissible limit of FAO/WHO. Conclusion: The results also show that the analyzed plant is a beneficial source of appropriate and essential trace metals. However, the leaf of G. oreophila in the present study was probably unsafe for long-term use because of the level of Fe, Ni, and Cd concentration.

Keywords: Globimetula oreophila, minerals, trace element, crude extract

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Authors: Sameh Frikha, Mohamed Salah Abid

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We investigate the performance of an integrated cascade (IC) refrigeration system which uses environment friendly zeotropic mixtures. Computational calculation has been carried out by varying pressure level at the evaporator and the condenser of the system. Effects of mass flow rate of the refrigerant on the coefficient of performance (COP) are presented. We show that the integrated cascade system produces ultra-low temperatures in the evaporator by using environment friendly zeotropic mixture.

Keywords: coefficient of performance, environment friendly zeotropic mixture, integrated cascade, ultra low temperature, vapor compression refrigeration cycles

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Authors: Yomna Amr Ahmed Lotfi Koraim, Dalia Moati Rasmi Elkhateeb

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Vertical landscape is introduced in this study as an alternative innovative technology for urban sustainable developments for its diverse environmental, economic, and psycho-social advantages. The main aim is to investigate the social acceptance of vertical landscape in Cairo, Egypt. The study objectives were to explore the perceptions of residents concerning this certain phenomenon and their opinions about its implementation. Survey questionnaires were administrated to 60 male and female residents from the Greater Cairo area. Despite the various concerns expressed about the application of vertical landscape, there was a clear majority of approval about its suitability. This is quite encouraging for the prospect of vertical landscape implementation in Cairo, Egypt.

Keywords: vertical landscape, green facades, vertical greening, social acceptance, sustainable urban development

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Authors: Rania Raouf Sedky

Abstract:

Adaptive architecture relates to buildings specifically designed to adapt to their residents and their environments. To design a biologically adaptive system, we can observe how living creatures in nature constantly adapt to different external and internal stimuli to be a great inspiration. The issue is not just how to create a system that is capable of change but also how to find the quality of change and determine the incentive to adapt. The research examines the possibilities of transforming spaces using the human body as an active tool. The research also aims to design and build an effective dynamic structural system that can be applied on an architectural scale and integrate them all into the creation of a new adaptive system that allows us to conceive a new way to design, build and experience architecture in a dynamic manner. The main objective was to address the possibility of a reciprocal transformation between the user and the architectural element so that the architecture can adapt to the user, as the user adapts to architecture. The motivation is the desire to deal with the psychological benefits of an environment that can respond and thus empathize with human emotions through its ability to adapt to the user. Adaptive affiliations of kinematic structures have been discussed in architectural research for more than a decade, and these issues have proven their effectiveness in developing kinematic structures, responsive and adaptive, and their contribution to 'smart architecture'. A wide range of strategies have been used in building complex kinetic and robotic systems mechanisms to achieve convertibility and adaptability in engineering and architecture. One of the main contributions of this research is to explore how the physical environment can change its shape to accommodate different spatial displays based on the movement of the user’s body. The main focus is on the relationship between materials, shape, and interactive control systems. The intention is to develop a scenario where the user can move, and the structure interacts without any physical contact. The soft form of shifting language and interaction control technology will provide new possibilities for enriching human-environmental interactions. How can we imagine a space in which to construct and understand its users through physical gestures, visual expressions, and response accordingly? How can we imagine a space whose interaction depends not only on preprogrammed operations but on real-time feedback from its users? The research also raises some important questions for the future. What would be the appropriate structure to show physical interaction with the dynamic world? This study concludes with a strong belief in the future of responsive motor structures. We imagine that they are developing the current structure and that they will radically change the way spaces are tested. These structures have obvious advantages in terms of energy performance and the ability to adapt to the needs of users. The research highlights the interface between remote sensing and a responsive environment to explore the possibility of an interactive architecture that adapts to and responds to user movements. This study ends with a strong belief in the future of responsive motor structures. We envision that it will improve the current structure and that it will bring a fundamental change to the way in which spaces are tested.

Keywords: adaptive architecture, interactive architecture, responsive architecture, tensegrity

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Authors: Bouziane Mohamed Tewfik

Abstract:

In order to improve the understanding of the influence of rainfall intensity on infiltration and deformation behaviour of unsaturated soil slopes, numerical 2D analyses are carried out by a three phase elasto-viscoplastic seepage-deformation coupled method. From the numerical results, it is shown that regardless of the saturated permeability of the soil slope, the increase in the pore water pressure (reduction in suction) during rainfall infiltration is localized close to the slope surface. In addition, the generation of the pore water pressure and the lateral displacement are mainly controlled by the ratio of the rainfall intensity to the saturated permeability of the soil.

Keywords: unsaturated soil, slope stability, rainfall infiltration, numerical analysis

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Authors: Taha Ahmed Özbey, Sedat Nazlıbilek, Alparslan Çağrı Yapıcı

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Combline cavity filters have gained significant attention in recent years due to their exceptional narrowband characteristics, high unloaded Q, remarkable out-of-band rejection, and versatile post-manufacturing tuning capabilities. These filters play a vital role in various wireless communication systems, radar applications, and other advanced technologies where stringent frequency selectivity and superior performance are required. This paper represents combined cavity filter design and implementation by coupling matrix synthesis. Limited filter length, 50 dB out-of-band rejection, and agile design were aimed. To do so, CAD tools and intuitive methods were used.

Keywords: cavity, band pass filter, cavity combline filter, coupling matrix synthesis

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Authors: Sheren H. Salah, Ahmed Y. Ben Sasi

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The inverted pendulum system is a classic control problem that is used in universities around the world. It is a suitable process to test prototype controllers due to its high non-linearities and lack of stability. The inverted pendulum represents a challenging control problem, which continually moves toward an uncontrolled state. This paper presents the possibility of balancing an inverted pendulum system using sliding mode control (SMC). The goal is to determine which control strategy delivers better performance with respect to pendulum’s angle and cart's position. Therefore, proportional-integral-derivative (PID) is used for comparison. Results have proven SMC control produced better response compared to PID control in both normal and noisy systems.

Keywords: inverted pendulum (IP), proportional-integral derivative (PID), sliding mode control (SMC), systems and control engineering

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Authors: Mohamed Abdoul-Hakim, A. Zeroual, H. Garmes

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In this work, we theoretically evaluated the reactivity of four 4-methyl-3-oxo-1,2-pyrazolidinium ylides with 2-Chlorobenzimidazole in MeOH in basic medium using DFT at the B3LYP/6-311+G(d,p) level. The analysis of the results shows that apart from its ability to retain its electrons, the deprotonated 2-Chlorobenzimidazole has a higher nucleophilic character. The reaction requires energy input to initiate the nucleophilic attack of the 2-Chlorobenzimidazole anion, and the inclusion of the solvent effect facilitates the formation of two regioisomers via an intramolecular vinyl nucleophilic substitution (SNVi). The transition states of this latter step are stabilized by charge transfer interactions σ(N-C) →σ*(C-Cl) for the more favorable regioisomer and n(N)→σ*(C-Cl) for the other regioisomer.

Keywords: benzonitrile N-oxide, DFT, intramolecular vinyl nucleophilic substitution (SNVi), 4-methyl-3-OXO-1, 2-pyrazolidinium ylides

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