Search results for: dosimetric materials

Authors: Masoud Madadelahi, Amir Shamloo, Seyedeh Sara Salehi

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Previously, some materials like solid metals and their alloys have been used as implants in human’s body. In order to amend fixation of these artificial hard human tissues, some porous structures have been introduced. In this way, tissues in vicinity of the porous structure can be attached more easily to the inserted implant. In particular, the porous bone scaffolds are useful since they can deliver important biomolecules like growth factors and proteins. This study focuses on the properties of the degradable porous hard tissues using a three-dimensional numerical Finite Element Method (FEM). The most important studied properties of these structures are diffusivity flux and concentration of different species like glucose, oxygen, and lactate. The process of cells migration into the scaffold is considered as a diffusion process, and related parameters are studied for different values of production/consumption rates.

Keywords: bone scaffolds, diffusivity, numerical simulation, tissue engineering

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Authors: Salesabil Labihi, Adil Eddiai, Mounir El Achaby, Mounir Meddad, Omar Cherkaoui, M’hammed Mazroui

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Piezoelectric materials provide a promising renewable energy source by converting mechanical energy into electrical energy through pressure and vibration. This study focuses on improving the conversion performance of poly (vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) by incorporating graphene oxide (GO) and lead zirconate titanate (PZT). The dispersion of PZT and GO within the PVDF-HFP matrix was found to be homogeneous, resulting in high piezoelectric performance with an increase in the β-phase content. The thermal stability of the PVDF-HFP polymer also improved with the addition of PZT/GO. However, as the percentage of PZT/GO increased, the young's modulus of the composite decreased significantly. The developed composite demonstrated promising performance as a potential candidate for energy harvesting applications.

Keywords: energy harvesting, mechanical conversion, piezoelectric composite, solvent casting method

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Authors: Gueridi Bachir, Dadache Derradji, Rouabah Farid

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This work is focused on the preparation and characterization of poly (vinyl alcohol)/silica gel/Nano-TiO₂, and the study of titanium dioxide (TiO₂) nanoparticles 1% on the properties of poly (vinyl alcohol) (PVA)/silica films. Fourier transform infrared (FT-IR), water contact angle, ultraviolet-visible spectrometry (UV-VIS)) were used to characterize the hybrid films obtained. The PVA/SiO₂/Nano-TiO₂ films were successfully synthesized. Owing to the FT-IR Analysis, the chemical bonds have clearly shown that the PVA backbone is linked to the (SiO₂-TiO₂) network. UV-VIS tests indicated that the hybrid films' UV shielding properties were drastically enhanced as a result of the addition of TiO₂. The water contact angle results revealed that TiO₂ nanoparticles used as a doping compound possess an important influence on the hydrophilicity of PVA/SiO₂ as thin films.

Keywords: sol-gel method, hybrid materials, PVA/SIO₂/TiO₂, spectroscopical characterization

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Authors: Aboozar Aghaei, Kamran Dehghani

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In the present work, the dissimilar Monel400 and SS316 were joined by friction stir welding (FSW). The applied rotating speed was 400 rpm, whereas the traverse speed varied between 50 and 150 mm/min. At a constant rotating speed, the sound welds were obtained at the welding speeds of 50 and 100 mm/min. However, a groove-like defect was formed when the welding speed exceeded 100 mm/min. The mechanical properties of the joints were evaluated using tensile and fatigue tests. The fatigue strength of dissimilar FSWed specimens was higher than that of both Monel400 and SS316. To study the failure behavior of FSWed specimens, the fracture surfaces were analyzed using a scanning electron microscope (SEM). The failure analysis indicates that different mechanisms may contribute to the fracture of welds. This was attributed to the dissimilar characteristics of dissimilar materials exhibiting different failure behaviors.

Keywords: frictions stir welding, stainless steel, Monel400, mechanical properties

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Authors: Raf E. Ul Shougat, Ezazul Haque Sabuz, G. M. Najmul Quader, Monon Mahboob

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Since there are lots of ways for building and post processing of parts or models in 3D printing technology, the main objective of this research is to provide an understanding how mechanical characteristics of 3D printed parts get changed for different building orientations and infiltrates. Tensile, compressive, flexure, and hardness test were performed for the analysis of mechanical properties of those models. Specimens were designed in CAD software, printed on Z-printer 450 with five different build orientations and post processed with four different infiltrates. Results show that with the change of infiltrates or orientations each of the above mechanical property changes and for each infiltrate the highest tensile strength, flexural strength, and hardness are found for such orientation where there is the lowest number of layers while printing.

Keywords: 3D printing, building orientations, infiltrates, mechanical characteristics, number of layers

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Authors: Jan Schmidt, Pierre Köhring

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Permanently excited machines are set up with magnets that are made of highly energetic magnetic materials. Inherently, the permanent magnets warm up while the machine is operating. With an increasing temperature, the electromotive force and hence the degree of efficiency decrease. The reasons for this are slot harmonics and distorted armature currents arising from frequency inverter operation. To prevent or avoid demagnetizing of the permanent magnets it is necessary to ensure that the magnets do not excessively heat up. Demagnetizations of permanent magnets are irreversible and a breakdown of the electrical machine is inevitable. For the design of an electrical machine, the knowledge of the behavior of heating under operating conditions of the permanent magnet is of crucial importance. Therefore, a calculation model is presented with which the machine designer can easily calculate the eddy current losses in the magnetic material.

Keywords: analytical model, eddy current, losses, lattice network, permanent magnet

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Authors: Gennady M. Kulikov, Svetlana V. Plotnikova

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This paper focuses on implementation of the sampling surfaces (SaS) method for the three-dimensional (3D) stress analysis of functionally graded (FG) laminated elastic and piezoelectric shells. The SaS formulation is based on choosing inside the nth layer In not equally spaced SaS parallel to the middle surface of the shell in order to introduce the electric potentials and displacements of these surfaces as basic shell variables. Such choice of unknowns permits the presentation of the proposed FG piezoelectric shell formulation in a very compact form. The SaS are located inside each layer at Chebyshev polynomial nodes that improves the convergence of the SaS method significantly. As a result, the SaS formulation can be applied efficiently to 3D solutions for FG piezoelectric laminated shells, which asymptotically approach the exact solutions of piezoelectricity as the number of SaS In goes to infinity.

Keywords: electroelasticity, functionally graded material, laminated piezoelectric shell, sampling surfaces method

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Authors: Mehmet Ekici

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The objective of this research is to investigate the effect of pouring temperature on the microstructure of the cast iron. The pattern was designed with 300 mm of width, and the thickness variations are 1.25 mm and poured at five different temperatures; 1300, 1325, 1350, 1375 and 1400°C. Several cast irons, prepared with different chemical compositions and microstructures (three lamellar and three spheroidal structures) have been examined by extensive mechanical testing and optical microscopy. The fluidity of spheroidal and lamellar graphite in cast iron increases with the pouring temperature. The numbers of nodules were decreased by increasing pouring temperature for spheroidal structures. Whereas, the numbers of flakes of lamellar structures changed by both pouring temperature and chemical composition. In general, with increasing pouring temperature, the amount of pearlite in the internal structure of both lamellar and spheroidal graphite cast iron materials were increased.

Keywords: spheroidal graphite cast iron, lamellar graphite in cast iron, pouring temperature, tensile test and impact test

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Authors: Hae-Yeoun Lee

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Mosaic refers to a technique that makes image by gathering lots of small materials in various colours. This paper presents an automatic algorithm that makes the photomosaic image using photos. The algorithm is composed of four steps: Partition and feature extraction, block matching, redundancy removal and colour adjustment. The input image is partitioned in the small block to extract feature. Each block is matched to find similar photo in database by comparing similarity with Euclidean difference between blocks. The intensity of the block is adjusted to enhance the similarity of image by replacing the value of light and darkness with that of relevant block. Further, the quality of image is improved by minimizing the redundancy of tiles in the adjacent blocks. Experimental results support that the proposed algorithm is excellent in quantitative analysis and qualitative analysis.

Keywords: photomosaic, Euclidean distance, block matching, intensity adjustment

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Authors: Gui Yewei, Du Yanxia, Xiao Guangming, Liu Lei, Wei Dong, Yang Xiaofeng

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A phase change material (PCM) is a substance which absorbs a large amount of energy when undergoing a change of solid-liquid phase. The good physical and chemical properties of C or SiC foam reveal the possibility of using them as a thermal conductivity enhancer for the PCM. C or SiC foam composite PCM has a high effective conductivity and becomes one of the most interesting thermal storage techniques due to its advantage of simplicity and reliability. The paper developed a numerical method to simulate the heat transfer of SiC and C foam composite PCM, a finite volume technique was used to discretize the heat diffusion equation while the phase change process was modeled using the equivalent specific heat method. The effects of the porosity were investigated based on the numerical method, and the effects of the geometric model of the microstructure on the equivalent thermal conductivity was studies.

Keywords: SiC foam, composite, phase change material, heat transfer

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Authors: Daniela Ailincai, Bogdan C. Simionescu, Luminita Marin

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Polymer dispersed liquid crystals (PDLC) represent an interesting class of materials which combine the ability of polymers to form films and their mechanical strength with the opto-electronic properties of liquid crystals. The proper choice of the two components - the liquid crystal and the polymeric matrix - leads to materials suitable for a large area of applications, from electronics to biomedical devices. The objective of our work was to obtain PDLC films with potential applications in the biomedical field, using poly vinyl alcohol boric acid (PVAB) as a polymeric matrix for the first time. Presenting all the tremendous properties of poly vinyl alcohol (such as: biocompatibility, biodegradability, water solubility, good chemical stability and film forming ability), PVAB brings the advantage of containing the electron deficient boron atom, and due to this, it should promote the liquid crystal anchoring and a narrow liquid crystal droplets polydispersity. Two different PDLC systems have been obtained, by the use of two liquid crystals, a nematic commercial one: 4-cyano-4’-penthylbiphenyl (5CB) and a new smectic liquid crystal, synthesized by us: buthyl-p-[p’-n-octyloxy benzoyloxy] benzoate (BBO). The PDLC composites have been obtained by the encapsulation method, working with four different ratios between the polymeric matrix and the liquid crystal, from 60:40 to 90:10. In all cases, the composites were able to form free standing, flexible films. Polarized light microscopy, scanning electron microscopy, differential scanning calorimetry, RAMAN- spectroscopy and the contact angle measurements have been performed, in order to characterize the new composites. The new smectic liquid crystal has been characterized using 1H-NMR and single crystal X-ray diffraction and its thermotropic behavior has been established using differential scanning calorimetry and polarized light microscopy. The polarized light microscopy evidenced the formation of round birefringent droplets, anchored homeotropic in the first case and planar in the second, with a narrow dimensional polydispersity, especially for the PDLC containing the largest amount of liquid crystal, fact evidenced by SEM, also. The obtained values for the water to air contact angle showed that the composites have a proper hydrophilic-hydrophobic balance, making them potential candidates for bioapplications. More than this, our studies demonstrated that the water to air contact angle varies as a function of PVAB matrix crystalinity degree, which can be controled as a function of time. This fact allowed us to conclude that the use of PVAB as matrix for PDLCs obtaining offers the possibility to modulate their properties for specific applications.

Keywords: 4-cyano-4’-penthylbiphenyl, buthyl-p-[p’-n-octyloxy benzoyloxy] benzoate, contact angle, polymer dispersed liquid crystals, poly vinyl alcohol boric acid

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Authors: Magdi Mohamed Eltayeb Zumrawi

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It is quite essential to investigate the causes of pavement deterioration in order to select the proper maintenance technique. The objective of this study was to identify factors cause deterioration of recently constructed roads in Khartoum state. A comprehensive literature concerning the factors of road deterioration, common road defects and their causes were reviewed. Three major road projects with different deterioration reasons were selected for this study. The investigation involved field survey and laboratory testing on those projects to examine the existing pavement conditions. The results revealed that the roads investigated experienced severe failures in the forms of cracks, potholes and rutting in the wheel path. The causes of those failures were found mainly linked to poor drainage, traffic overloading, expansive subgrade soils and the use of low quality materials in construction. Based on the results, recommendations were provided to help highway engineers in selecting the most effective repair techniques for specific kinds of distresses.

Keywords: pavement, deterioration, causes, failures

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Authors: J.Pozuelo-Muñoz, E. Cascarosa-Salillas, C. Rodríguez-Casals, A. de Echave, E. Terrado-Sieso

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This study focuses on the development, implementation, and evaluation of an instructional sequence aimed at 16–17-year-old students, involving the design and use of a cloud chamber—a device that allows observation of subatomic particles. The research addresses the limited presence of particle physics in Spanish secondary and high school curricula, a gap that restricts students' learning of advanced physics concepts and diminishes engagement with complex scientific topics. The primary goal of this project is to introduce particle physics in the classroom through a practical, interdisciplinary methodology that promotes autonomous learning and critical thinking. The methodology is framed within Design-Based Research (DBR), an approach that enables iterative and pragmatic development of educational resources. The research proceeded in several phases, beginning with the design of an experimental teaching sequence, followed by its implementation in high school classrooms. This sequence was evaluated, redesigned, and reimplemented with the aim of enhancing students’ understanding and skills related to designing and using particle detection instruments. The instructional sequence was divided into four stages: introduction to the activity, research and design of cloud chamber prototypes, observation of particle tracks, and analysis of collected data. In the initial stage, students were introduced to the fundamentals of the activity and provided with bibliographic resources to conduct autonomous research on cloud chamber functioning principles. During the design stage, students sourced materials and constructed their own prototypes, stimulating creativity and understanding of physics concepts like thermodynamics and material properties. The third stage focused on observing subatomic particles, where students recorded and analyzed the tracks generated in their chambers. Finally, critical reflection was encouraged regarding the instrument's operation and the nature of the particles observed. The results show that designing the cloud chamber motivates students and actively engages them in the learning process. Additionally, the use of this device introduces advanced scientific topics beyond particle physics, promoting a broader understanding of science. The study’s conclusions emphasize the need to provide students with ample time and space to thoroughly understand the role of materials and physical conditions in the functioning of their prototypes and to encourage critical analysis of the obtained data. This project not only highlights the importance of interdisciplinarity in science education but also provides a practical framework for teachers to adapt complex concepts for educational contexts where these topics are often absent.

Keywords: cloud chamber, particle physics, secondary education, instructional design, design-based research, STEM

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Authors: Talib M. Albayati, Omar S. Mahdy, Ghanim M. Alwan

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This work is aimed to prepare magnetic nanoporous material Fe/MCM-41 and study its Physical characterization in order to enhance the magnetic properties for study the operating conditions on separation efficiency of methyl orange (MO) from wastewater by adsorption process. The experimental results are analysed to select the best operating conditions for different studied parameters which were obtained for both adsorbents mesoporous material samples MCM-41 and magnetic Fe/MCM-41 as follow: constant temperature (20 ºC), pH: (2) adsorbent dosage (0.03 gm), contact time (10 minute) and concentrations (30 mg/L). The results are demonstrated that the adsorption processes can be well fitted by the Langmuir isotherm model for pure MCM-41 with a higher correlation coefficient (0.999) and fitted by the freundlich isotherm model for magnetic Fe/MCM-41 with a higher correlation coefficient of (0.994).

Keywords: adsorption, nanoporous materials, mcm-41, magnetic material, wastewater, orange, wastewater

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Authors: Monika Singh

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A carbon nanotube thin film coated on dielectric interface is employed to produce THz surface plasma wave (SPW). The carbon nanotube has its plasmon frequency in the THz range. The SPW field falls off away from the metal film both inside the dielectric as well as in free space. An amplitude modulated laser pulse normally incident, from free space on slow wave structure, exert a modulation frequency ponderomotive force on the free electrons of the CNT film and resonantly excite the THz surface plasma wave at the modulation frequency. Carbon nanotube based plasmonic nano-structure materials provides potentially more versatile approach to tightly confined surface modes in the THz range in comparison to noble metals.

Keywords: surface plasmons, surface waves, thin films, THz radiation

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Authors: Matineh Sadat Hosseini Gheidari, Vahid Reza Yazdanpanah

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In this paper, we used the empirical tight-binding method (ETBM) with sp3s* approximation and considering the first nearest neighbor with spin-orbit interactions in order to model superlattice structure (SLS) of (AlₓGa₁₋ₓAs)ₘ/(GaAs)ₙ grown on GaAs (100) substrate at 300K. In the next step, we investigated the behavior of the energy gap and wavelength of this superlattice in terms of different thicknesses of core materials and Al mole fractions. As a result of this survey, we found out that as the Al composition increases, the energy gap of this superlattice has an upward trend and ranges from 1.42-1.63 eV. Also, according to the wavelength range that we gained from this superlattice in different Al mole fractions and various thicknesses, we can find a suitable semiconductor for a special light-emitting diode (LED) application.

Keywords: energy gap, empirical tight-binding method, light-emitting diode, superlattice, wavelength

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Authors: Xiaoyong He

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The manipulation of THz waves is still a challenging task due to lack of natural materials interacted with it strongly. Designed by tailoring the characters of unit cells (meta-molecules), the advance of metamaterials (MMs) may solve this problem. However, because of Ohmic and radiation losses, the performance of MMs devices is subjected to the dissipation and low quality factor (Q-factor). This dilemma may be circumvented by Fano resonance, which arises from the destructive interference between a bright continuum mode and dark discrete mode (or a narrow resonance). Different from symmetric Lorentz spectral curve, Fano resonance indicates a distinct asymmetric line-shape, ultrahigh quality factor, steep variations in spectrum curves. Fano resonance is usually realized through symmetry breaking. However, if concentric double rings (DR) are placed closely to each other, the near-field coupling between them gives rise to two hybridized modes (bright and narrowband dark modes) because of the local asymmetry, resulting into the characteristic Fano line shape. Furthermore, from the practical viewpoint, it is highly desirable requirement that to achieve the modulation of Fano spectral curves conveniently, which is an important and interesting research topics. For current Fano systems, the tunable spectral curves can be realized by adjusting the geometrical structural parameters or magnetic fields biased the ferrite-based structure. But due to limited dispersion properties of active materials, it is still a tough work to tailor Fano resonance conveniently with the fixed structural parameters. With the favorable properties of extreme confinement and high tunability, graphene is a strong candidate to achieve this goal. The DR-structure possesses the excitation of so-called “trapped modes,” with the merits of simple structure and high quality of resonances in thin structures. By depositing graphene circular DR on the SiO2/Si/ polymer substrate, the tunable Fano resonance has been theoretically investigated in the terahertz regime, including the effects of graphene Fermi level, structural parameters and operation frequency. The results manifest that the obvious Fano peak can be efficiently modulated because of the strong coupling between incident waves and graphene ribbons. As Fermi level increases, the peak amplitude of Fano curve increases, and the resonant peak position shifts to high frequency. The amplitude modulation depth of Fano curves is about 30% if Fermi level changes in the scope of 0.1-1.0 eV. The optimum gap distance between DR is about 8-12 μm, where the value of figure of merit shows a peak. As the graphene ribbon width increases, the Fano spectral curves become broad, and the resonant peak denotes blue shift. The results are very helpful to develop novel graphene plasmonic devices, e.g. sensors and modulators.

Keywords: graphene, metamaterials, terahertz, tunable

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Authors: H. Sezgin, O. B. Berkalp, R. Mishra, J. Militky

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In the last few decades, due to their advanced properties, there has been an increasing interest in hybrid composite materials. In this study, the effect of different stacking sequences of jute and carbon fabric plies on dynamic mechanical properties of composite laminates were investigated. Vacuum bagging system was used to fabricate the composite samples. Each composite laminate was reinforced with two plies of jute fabric and two plies of carbon fabric by varying the position of layers. Dynamic mechanical analyzer (DMA) was used to examine the dynamic mechanical properties of composite laminates with increasing temperature. Results showed that the composite sample, which has carbon fabric at the outer layers, has the highest storage and loss modulus. Besides, it was observed that glass transition temperature (T_g) of samples are close to each other and at about 75 °C.

Keywords: differential scanning calorimetry dynamic mechanical analysis, textile reinforced composites, thermogravimetric analysis

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Authors: Jedli Hedi, Hedfi Hachem, Abdessalem Jbara, Slimi Khalifa

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Natural and modified clay were used as an adsorbent for CO2 capture. Sample of clay was subjected to acid treatments to improve their textural properties, namely, its surface area and pore volume. The modifications were carried out by heating the clays at 120 °C and then by acid treatment with 3M sulphuric acid solution at boiling temperature for 10 h. The CO2 adsorption capacities of the acid-treated clay were performed out in a batch reactor. It was found that the clay sample treated with 3M H2SO4 exhibited the highest Brunauer–Emmett–Teller (BET) surface area (16.29–24.68 m2/g) and pore volume (0.056–0.064 cm3/g). After the acid treatment, the CO2 adsorption capacity of clay increased. The CO2 adsorption capacity of clay increased after the acid treatment. The CO2 adsorption by clay, were characterized by SEM, FTIR, ATD-ATG and BET method. For describing the phenomenon of CO2 adsorption for these materials, the adsorption isotherms were modeled using the Freundlich and Langmuir models. CO2 adsorption isotherm was found attributable to physical adsorption.

Keywords: clay, acid treatment, CO2 capture, adsorption mechanism

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Authors: M. Naimur Rahman, Mohammad Tariqul Islam, Mandeep Singh Jit Singh, Norbahiah Misran

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This paper presents the architecture and exploration of a compact, circulated double Psi-shaped microstrip patch antenna for Ku-band satellite applications. The antenna is composed of the double Psi-shaped patch in opposite focus which is circulated with a ring. The antenna size is 24 mm × 18 mm and the prototype is imprinted on Rogers RT/duroid 5880 materials with the depth of 1.57 mm. The substrate has a relative permittivity of 2.2 and the dielectric constant of 0.0009. The excitation is supplied through a 50Ω microstrip line. The performance of the presented antenna has been simulated and verified with the High-Frequency Structural Simulator (HFSS). The results depict that the antenna covers the frequency spectrum 14.6 - 17.4 GHz (Ku-band) with 10 dB return loss. The antenna has a 4.40 dBi maximum gain with stable radiation patterns throughout the operating band which makes the proposed antenna compatible for the satellite application in Ku-band.

Keywords: Ku-band antenna, microstrip antenna, psi-shaped antenna, satellite applications

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Authors: Tadeus Atraskevic, Asch Dalbajobas, Mazahistas Pukuotukas

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The novel ferroelectric properties appeared in the recent ten years. Many scientists consider them as non-statement science. Nevertheless, many papers are published. The Mean field theory takes an important place in the theory of ferroelectric materials which can be applied for Boson induced laser systems for ‘Star Track’ soldiers. The novel Laser, which was produced in The Vilnius Bambalio University is a ‘now-how’ among other laser systems. The laser can produce power of 30 kW during 15 seconds. Its size and compatibility distinguishes it among other devices and safety gadgets. Scientists of Bambalio University have already patented the device. The most interesting in this innovations is the process of operation. Merely it may be operated through a bottle a beer what makes the measurement so convenient, that an ordinary scientist can process all stuff without significant effort just by taking pleasure by drinking a bottle of beer. Here we would like to report on the laser system and present our unique developments.

Keywords: laser, boson, ferroelectrics, mean field theory

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Authors: Samira Mohabbatdar, Abbas Ahmadi, Mohsen S. Sajadieh

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This paper deals with a two-level supply chain consisted of one manufacturer and one retailer for single-type product. The demand function of the customers depends on price. We consider an integrated production inventory system where the manufacturer processes raw materials in order to deliver finished product with imperfect quality to the retailer. Then retailer inspects the products and after that delivers perfect products to customers. The proposed model is based on the joint total profit of both the manufacturer and the retailer, and it determines the optimal ordering lot-size, number of shipment and selling price of the retailer. A numerical example is provided to analyse and illustrate the behaviour and application of the model. Finally, sensitivity analysis of the key parameters are presented to test feasibility of the model.

Keywords: supply chain, pricing policy, defective quality, joint economic lot sizing

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Authors: F. Noto, F. De Persio, V. Bellini, G. Costa. F. Mammoliti, F. Meddi, C. Sutera, G. M. Urcioli

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One plane X and one plane Y of silicon microstrip detectors will constitute the front part of the Super Bigbite Spectrometer that is under construction and that will be installed in the experimental Hall A of the Thomas Jefferson National Accelerator Facility (Jefferson Laboratory), located in Newport News, Virgina, USA. Each plane will be made up by two nearly identical, 300 μm thick, 10 cm x 10.3 cm wide silicon microstrip detectors with 50 um pitch, whose electronic signals will be transferred to the front-end electronic based on APV25 chips through C-shaped FR4 Printed Circuit Boards (PCB). A total of about 10000 strips are read-out. This paper treats the optimization of the detector support structure, the materials used through a finite element simulation. A very important aspect of the study will also cover the optimization of the bonding parameters between detector and electronics.

Keywords: FEM analysis, bonding, SBS tracker, mechanical structure

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Authors: Nikolay E. Dubinin

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Pair-interaction approximations allow to consider a different states of condensed matter from a single position. At the same time, description of an effective pair interaction in transition metal is a hard task since the d-electron contribution to the potential energy in this case is non-pairwise in principle. There are a number of models for transition-metal effective pair potentials. Here we use the Wills-Harrison (WH) approach to calculate pair potentials for Fe, Co, and Ni in crystalline, liquid, and nano states. Last is especially interesting since nano particles of pure transition metals immobilized on the dielectric matrices are widely used in different fields of advanced technologies: as carriers and transmitters of information, as an effective catalytic materials, etc. It is found that the minimum of the pair potential is deeper and oscillations are stronger in nano crystalline state in comparison with the liquid and crystalline states for all metals under consideration.

Keywords: effective pair potential, nanocrystalline state, transition metal, Wills-Harrison approach

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Authors: H. Benaldjia, N. Habib, F. Djefaflia, A. Nait-Merzoug, A. Harat, J. El-Haskouri, O. Guellati

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Currently, the technology has attracted knowledge of energy storage sources similar to batteries, capacitors and super-capacitors because of its very different applications in many fields with major social and economic challenges. Moreover, hydroxides have attracted much attention as a promising and active material choice in large-scale applications such as molecular adsorption/storage and separation for the environment, ion exchange, nanotechnology, supercapacitor for energy storage and conversion, electro-biosensing, and catalysts, due to their unique properties which are strongly influenced by their composition, microstructure, and synthesis method. In this context, we report in this study the synthesis of hydroxide-based nanomaterials precisely based on Ni and Fe using a simple hydrothermal method with mono and bi precursors at optimized growth conditions (6h-120°C). The obtained products were characterized using different techniques, such as XRD, FTIR, FESEM and BET, as well as electrochemical measurements.

Keywords: energy storage, Supercapacitors, nanocomposites, nanohybride, electro-active materials.

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Authors: Hang Tran, Victor Brial, Luca Sorelli, Claudiane Ouellet-Plamondon, David Conciatori, Laurent Birry

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Spend pot lining (SPL) is a by-product generated from primary aluminum production. SPL consists of two parts, the first cut is rich in carbonaceous materials, and the second cut is rich in aluminum and silicon oxides. After treating by the hydrometallurgical Low Caustic Leaching and Liming process, the refractory part of SPL becomes an inert material, called LCLL ash in this project. LCLL ash was calcined at different temperatures (800 and 1000°C) and Calcined LCLL ash ground as fines of cement and replacement a part of cement in concrete production. The effect of LCLL ash on the chemical properties, mechanical properties and fresh behavior of concrete was evaluated by isothermal calorimetry, compressive test, and slump test. These results were compared to the reference mixture.

Keywords: spend pot lining, concrete, cement, compressive strength, calorimetry

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Authors: Audrey Ngambia, Ondrej Masek, Valentina Erastova

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Biochar is an amorphous carbon-rich material generated from the pyrolysis of biomass with multifarious properties and functionality. Biochar has shown proven applications in the treatment of flue gas and organic and inorganic pollutants in soil and water/wastewater as a result of its multiple surface functional groups and porous structures. These properties have also shown potential in energy storage and carbon capture. The availability of diverse sources of biomass to produce biochar has increased interest in it as a sustainable and environmentally friendly material. The properties and porous structures of biochar vary depending on the type of biomass and high heat treatment temperature (HHT). Biochars produced at HHT between 400°C – 800°C generally have lower H/C and O/C ratios, higher porosities, larger pore sizes and higher surface areas with temperature. While all is known experimentally, there is little knowledge on the porous role structure and functional groups play on processes occurring at the atomistic scale, which are extremely important for the optimization of biochar for application, especially in the adsorption of gases. Atomistic simulations methods have shown the potential to generate such amorphous materials; however, most of the models available are composed of only carbon atoms or graphitic sheets, which are very dense or with simple slit pores, all of which ignore the important role of heteroatoms such as O, N, S and pore morphologies. Hence, developing realistic models that integrate these parameters are important to understand their role in governing adsorption mechanisms that will aid in guiding the design and optimization of biochar materials for target applications. In this work, molecular dynamics simulations in the isobaric ensemble are used to generate realistic biochar models taking into account experimentally determined H/C, O/C, N/C, aromaticity, micropore size range, micropore volumes and true densities of biochars. A pore generation approach was developed using virtual atoms, which is a Lennard-Jones sphere of varying van der Waals radius and softness. Its interaction via a soft-core potential with the biochar matrix allows the creation of pores with rough surfaces while varying the van der Waals radius parameters gives control to the pore-size distribution. We focused on microporosity, creating average pore sizes of 0.5 - 2 nm in diameter and pore volumes in the range of 0.05 – 1 cm3/g, which corresponds to experimental gas adsorption micropore sizes of amorphous porous biochars. Realistic biochar models with surface functionalities, micropore size distribution and pore morphologies were developed, and they could aid in the study of adsorption processes in confined micropores.

Keywords: biochar, heteroatoms, micropore size, molecular dynamics simulations, surface functional groups, virtual atoms

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Authors: Biswaranjan D. Mohapatra, Ipsha Hota, Swarna P. Mantry, Nibedita Behera, Kumar S. K. Varadwaj

Abstract:

Designing highly active and low-cost oxygen evolution (2H₂O → 4H⁺ + 4e⁻ + O₂) electrocatalyst is one of the most active areas of advanced energy research. Some precious metal-based electrocatalysts, such as IrO₂ and RuO₂, have shown excellent performance for oxygen evolution reaction (OER); however, they suffer from high-cost and low abundance which limits their applications. Recently, layered double hydroxides (LDHs), composed of layers of divalent and trivalent transition metal cations coordinated to hydroxide anions, have gathered attention as an alternative OER catalyst. However, LDHs are insulators and coupled with carbon materials for the electrocatalytic applications. Graphene covalently doped with nitrogen has been demonstrated to be an excellent electrocatalyst for energy conversion technologies such as; oxygen reduction reaction (ORR), oxygen evolution reaction (OER) & hydrogen evolution reaction (HER). However, they operate at high overpotentials, significantly above the thermodynamic standard potentials. Recently, we reported remarkably enhanced catalytic activity of benzoate or 1-pyrenebutyrate functionalized N-doped graphene towards the ORR in alkaline medium. The molecular and heteroatom co-doping on graphene is expected to tune the electronic structure of graphene. Therefore, an innovative catalyst architecture, in which LDHs are anchored on aromatic acid functionalized ‘N’ doped graphene may presumably boost the OER activity to a new benchmark. Herein, we report fabrication of Co₂Fe-LDH on aromatic acid (AA) functionalized ‘N’ doped reduced graphene oxide (NG) and studied their OER activities in alkaline medium. In the first step, a novel polyol method is applied for synthesis of AA functionalized NG, which is well dispersed in aqueous medium. In the second step, Co₂Fe LDH were grown on AA functionalized NG by co-precipitation method. The hybrid samples are abbreviated as Co₂Fe LDH/AA-NG, where AA is either Benzoic acid or 1, 3-Benzene dicarboxylic acid (BDA) or 1, 3, 5 Benzene tricarboxylic acid (BTA). The crystal structure and morphology of the samples were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM). These studies confirmed the growth of layered single phase LDH. The electrocatalytic OER activity of these hybrid materials was investigated by rotating disc electrode (RDE) technique on a glassy carbon electrode. The linear sweep voltammetry (LSV) on these catalyst samples were taken at 1600rpm. We observed significant OER performance enhancement in terms of onset potential and current density on Co₂Fe LDH/BTA-NG hybrid, indicating the synergic effect. This exploration of molecular functionalization effect in doped graphene and LDH system may provide an excellent platform for innovative design of OER catalysts.

Keywords: π-π functionalization, layered double hydroxide, oxygen evolution reaction, reduced graphene oxide

Procedia PDF Downloads 208

Authors: Adriana Estokova, Lenka Palascakova, Martina Kovalcikova

Abstract:

Cement is a basic material used for building construction. Chromium as an indelible non-volatile trace element of raw materials occurs in cement clinker in the trivalent or hexavalent form. Hexavalent form of chromium is harmful and allergenic having very high water solubility and thus can easily come into contact with the human skin. The paper is aimed at analyzing the content of total chromium in Portland cements and leaching rate of hexavalent chromium in various leachants: Deionized water, Britton-Robinson buffer, used to simulate the natural environment, and hydrochloric acid (HCl). The concentration of total chromium in Portland cement samples was in a range from 173.2 to 218.5 mg/kg. The content of dissolved hexavalent chromium ranged 0.23-3.19, 2.0-5.78 and 8.88-16.25 mg/kg in deionized water, Britton-Robinson solution and hydrochloric acid, respectively. The calculated leachable fraction of Cr(VI) from cement samples was observed in the range 0.1--7.58 %.

Keywords: environment, cement, chromium, leaching

Procedia PDF Downloads 279

Authors: Jyh-Cherng Gu, Ming-Ta Yang, Dai-Ling Tsai

Abstract:

Both sparse lashing and dense lashing are applied to secure overhead XLPE (cross-linked polyethylene) covered power lines on ceramic insulators or HDPE polymer insulators. The distribution of electric field in and among the lashing wires, the XLPE power lines and insulators in normal clean condition and when conducting materials such as salt, metal particles, dust, smoke or acidic smog are present is studied in this paper. The ANSYS Maxwell commercial software is used in this study for electric field analysis. Although the simulation analysis is performed assuming ideal conditions due to the constraints of the simulation software, the result may not be the same as in real situation but still be of sufficient practical values.

Keywords: electric field intensity, insulator, XLPE covered aerial line, empty

Procedia PDF Downloads 265