Search results for: fine electronic structure

Authors: Meriem Harmel, Houari Khachai

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We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

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Authors: Vignesh Pechiappan Ayyathurai, Mukesh Limbachiya, Hsein Kew

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There is a growing interest in using recycled, secondary use and industrial by product materials in high value commercial applications. Potential high volume applications include use of fine aggregate in flowable fill or as a component in manufactured aggregates. However, there is much scientific, as well as applied research needed in this area due to lack to availability of data on the mechanical and environmental properties of elements or products produced using fine recycled aggregates. The principle objectives of this research are to synthesize existing data on the beneficial reuse of fine recycled materials and to develop extensive testing programme for assessing and establishing engineering and long term durability properties of concrete and other construction products produced using such material for use in practical application widely. This paper is a research proposal for PhD admission. The proposed research aims to supply the necessary technical, as well as practical information on fine recycled aggregate concrete to the construction industry for promoting its wider use within the construction industry. Furthermore, to disseminate research outcomes to the local authorities for consideration of use of fine recycled aggregate concrete in various applications.

Keywords: FRA, fine aggregate, recycling, concrete

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Authors: Meriem Harmel, Houari Khachai

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The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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Authors: Meltem Işık, Fatma Gür, İbrahim Kılıç

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This study aims to explore the effects of hemsball shooting techniques on the fine motor skill level of children with hearing disabilities. A total number of 26 children with hearing disabilities, ages ranging between 7 and 11 and which were equally divided into experimental group and control group participated in the study. In this context, an exercise training program dedicated to hemsball shooting techniques was introduced to the experimental group 3 days a week in one hour sessions for a period of 10 weeks. BOT-2 fine motor skills test which includes three dimensions (fine motor accuracy, fine motor task completion, and dexterity) was selected as the data collection method. Descriptive statistics along with two-factor ANOVA which was focused on repetitive measurements of the differences between pretest and posttest scores of both groups were used in the analysis of the data collected. The results of this study showed that hemsball shooting techniques have a statistically significant effect on the fine motor skill level.

Keywords: hemsball shooting techniques, BOT-2 test, fine motor skills, hearing disabilities

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Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid

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We investigate the structural, electronic and magnetic properties of the diluted magnetic semiconductors (DMSs) CdCoTe and CdMnTe in the zinc blende phase with 25% of Co and Mn. The calculations are performed by the recent ab initio full potential augmented plane waves (FP_L/APW) method within the spin polarized density-functional theory (DFT) and the generalized gradient approximation GGA. Structural properties are determined from the total energy calculations and we found that these compounds are stable in the ferromagnetic phase. We discuss the electronic structures, total and partial densities of states and total magnetic moments. The calculated densities of states presented in this study identify the half-metallic of CdCoTe and CdMnTe.

Keywords: electronic structure, half-metallic, magnetic moment, total and partial densities of states

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Authors: Anis A. Ansari, Syed Javed Arif

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From the last two-three decades, all countries are continuously generating huge quantities of electronic waste in the form of obsolete computers, gadgets and other discarded electronic instruments mainly due to evolution of newer technologies as a result of constant efforts in research and development in this area. This is the primary reason why waste from the electronic industry is increasing exponentially day by day. Thermoset and thermoplastic polymers, which are the major constituents in every electronic waste, may create a new business opportunity if these are recovered and recycled properly. This may reduce our directly dependency on petroleum and petro-products for polymer materials and also create a potential market for recycled polymers to improve economy. The main theme of this paper is to evolve the potential of recovery and recycling of polymers from the waste being generated globally in the form of discarded electronic products.

Keywords: polymer recovery, electronic waste, petroleum, thermoplastics

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Authors: Ali Zeynali Azim, Mostfa Basiry, Samira Kafshi, Elnaz Behnoud

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This study provides a framework for enterprise architecture in electronic city is electronic municipality. Nowadays, information technology as an emerging phenomenon has a special place in the world. Development of information and communication technology causes many changes in various fields, including emerging e-cities, municipalities and citizens. However, e-city and e-municipality need essential enterprise architecture. In order to develop enterprise architecture of e-city and e-municipality, enterprise architecture maturity method should be applied. Therefore, one of the most important needs of organizations is to choose important activities according to limitations. The studies show that there is a close relationship between IT, enterprise architecture, e-city and e-municipality. This study aimed to clarify the concept of IT, enterprise architecture, electronic city and e-municipality and how they are related to each other. Is the existence of each of IT, enterprise architecture, electronic and electronic municipal requires each other?

Keywords: enterprise architecture, e-city, e-municipality, e-government, e-citizen, service-oriented architecture

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Authors: Shishay T. Kidanu

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The study area is located in Southwestern Missouri and is mainly underlain by Mississippian Age limestone which is highly susceptible to karst processes. The area is known for the presence of various karst features like caves, springs and more importantly Sinkholes. Sinkholes are one of the most common karst features and the primary hazard in karst areas. Investigating the subsurface structure and development mechanism of existing sinkholes enables to understand their long-term impact and chance of reactivation and also helps to provide effective mitigation measures. In this study ERT (Electrical Resistivity Tomography), MASW (Multichannel Analysis of Surface Waves) and borehole control data have been used to image the subsurface structure and investigate the development mechanism of a sinkhole in Southwestern Missouri. The study shows that the main process responsible for the development of the sinkhole is the downward piping of fine grained soils. Furthermore, the study reveals that the sinkhole developed along a north-south oriented vertical joint set characterized by a vertical zone of water seepage and associated fine grained soil piping into preexisting fractures.

Keywords: ERT, Karst, MASW, sinkhole

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Authors: Lasha Mskhaladze, Guram Burchuladze, Khvicha Datunashvili

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Technological changes have an impact not only on economic but also on social elements of society which in turn has created new challenges for states’ political systems and their regimes. As a result of unprecedented growth of information technologies and communications digital democracy and electronic governance have emerged. Nowadays effective state functioning cannot be imagined without electronic governance. In Georgia, special attention is paid to the development of such new systems and establishment of electronic governance. Therefore, in parallel to intensive development of information technologies an important priority for public sector in Georgia is the development of electronic governance. In spite of the fact that today Georgia with its economic indicators satisfies the standards of western informational society, and major part of its gross domestic product comes from the service sector (59.6%), it still remains a backward country on the world map in terms of information technologies and electronic governance. E-transparency in Georgia should be based on such parameters as government accountability when the government provides citizens information about their activities; e-participation which involves government’s consideration of external expert assessments; cooperation between officials and citizens in order to solve national problems. In order to improve electronic systems the government should actively do the following: Fully develop electronic programs concerning HR and exchange of data between public organizations; develop all possible electronic services; improve existing electronic programs; make electronic services available on different mobile platforms (iPhone, Android, etc.).

Keywords: electronic transparency, electronic services, information technology, information society, electronic systems

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Authors: Hitham Yami

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This study will focus primarily on assessing the availability requirements of the electronic management of oil companies in Libya, and the mean objectives of the research applying electronic management and make recommendations and steps to approach electronic management. There are limited research and statistical analysis to support electronic management in Libyan companies. The groundwork for the proposed approach is to develop independent variables and the dependent variables to be restructured after it Alntra side of the field and the side to get the data to achieve the desired results and solving the problem faced by the Libyan Oil Corporation. All these strategies are proposed to achieve the goal, and solving Libyan oil installations.

Keywords: oil company’s revenue, independent variables, electronic management, Libyan oil corporation

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Authors: Motaz Alshawwa

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This current study aims to know journalists' motives for dealing with electronic journalism more than paper journalism in Palestine. The participants of the study were (250) journalists. To achieve the study objective, a questionnaire was used that was composed of (18) questions. The results of the study showed that the motives dealing with electronic journalism were utilitarian motives that were represented by knowing the local news. We find a statistically significant relationship at the level of significance of 0.05 between the uses of electronic journalism and gender, and there are statistically significant differences at the level of 0.05 in the motives of dealing with electronic journalism. The study recommends the daily paper journals in Palestine should meet the various and different needs of the public.

Keywords: electronic journalism, journalist, paper journalism, utilitarian motives

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Authors: O. Bendermel, C. Seladji, M. Khaouani

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In this work, we made a numerical study of the thermal and dynamic behaviour of air in a horizontal channel with electronic components. The influence to use baffles on the profiles of velocity and temperature is discussed. The finite volume method and the algorithm Simple are used for solving the equations of conservation of mass, momentum and energy. The results found show that baffles improve heat transfer between the cooling air and electronic components. The velocity will increase from 3 times per rapport of the initial velocity.

Keywords: electronic components, baffles, cooling, fluids engineering

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Authors: Jie Liu, Xudong Luo, Pingping Lin, Yifan Fan

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Facebook, Twitter, Weibo, and other social media and significant e-commerce sites generate a massive amount of online texts, which can be used to analyse people’s opinions or sentiments for better decision-making. So, sentiment analysis, especially fine-grained sentiment analysis, is a very active research topic. In this paper, we survey various methods for fine-grained sentiment analysis, including traditional sentiment lexicon-based methods, machine learning-based methods, and deep learning-based methods in aspect/target/attribute-based sentiment analysis tasks. Besides, we discuss their advantages and problems worthy of careful studies in the future.

Keywords: sentiment analysis, fine-grained, machine learning, deep learning

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Authors: B. Bouadjemi, S. Bentata, W. Benstaali, A. Souidi, A. Abbad, T. Lantri, Z. Aziz, A. Zitouni

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The electronic and magnetic structures of double perovskite Ba2MnMoO6 are systematically investigated using the first principle method of the Full Potential Linear Augmented Plane Waves Plus the Local Orbitals (FP-LAPW+LO) within the Local Spin Density Approximation (LSDA) and the Generalized Gradient Approximation (GGA). In order to take into account the strong on-site Coulomb interaction, we included the Hubbard correlation terms: LSDA+U and GGA+U approaches. Whereas half-metallic ferromagnetic character is observed due to dominant Mn spin-up and Mo spin-down contributions insulating ground state is obtained. The LSDA+U and GGA+U calculations yield better agreement with the theoretical and the experimental results than LSDA and GGA do.

Keywords: electronic structure, double perovskite, first principles, Ba2MnMoO6, half-metallic

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Authors: Maziyar Nouraee

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Electronic markets in recent decades contribute remarkably in business transactions. Many organizations consider traditional ways of trade non-economical and therefore they do trade only through electronic markets. There are different categorizations of electronic markets functions. In one classification, functions of electronic markets are categorized into classes as information, transactions, and value added. In the present paper, effects of the three classes on the two major elements of the supply chain management are measured. The two elements are decrease in the product unit cost and reduction in response time to the customer. The results of the current research show that among nine minor elements related to the three classes of electronic markets functions, six factors and three factors influence on reduction of the product unit cost and reduction of response time to the customer, respectively.

Keywords: electronic commerce, electronic market, B2B trade, supply chain management

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Authors: Zhuomin Zou, Thijs Van Landeghem, Elke Gruyaert

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Using supplementary cementitious materials, such as blast-furnace slag and limestone, to replace cement clinker is a promising method to reduce the carbon emissions from cement production. To efficiently use slag and limestone, it is necessary to carefully select the particle size distribution (PSD) of the binders. This study investigated the effects of the PSD of binders on the performance of slag-limestone ternary cement. The Portland cement (PC) was prepared by grinding 95% clinker + 5% gypsum. Based on the PSD parameters of the binders, three types of ternary cements with a similar overall PSD were designed, i.e., NO.1 fine slag, medium PC, and coarse limestone; NO.2 fine limestone, medium PC, and coarse slag; NO.3. fine PC, medium slag, and coarse limestone. The binder contents in the ternary cements were (a) 50 % PC, 40 % slag, and 10 % limestone (called high cement group) or (b) 35 % PC, 55 % slag, and 10 % limestone (called low cement group). The pure PC and binary cement with 50% slag and 50% PC prepared with the same binders as the ternary cement were considered as reference cements. All these cements were used to investigate the mortar performance in terms of workability, strength at 2, 7, 28, and 90 days, carbonation resistance, and non-steady state chloride migration resistance at 28 and 56 days. Results show that blending medium PC with fine slag could exhibit comparable performance to blending fine PC with medium/coarse slag in binary cement. For the three ternary cements in the high cement group, ternary cement with fine limestone (NO.2) shows the lowest strength, carbonation, and chloride migration performance. Ternary cements with fine slag (NO.1) and with fine PC (NO.3) show the highest flexural strength at early and late ages, respectively. In addition, compared with ternary cement with fine PC (NO.3), ternary cement with fine slag (NO.1) has a similar carbonation resistance and a better chloride migration resistance. For the low cement group, three ternary cements have a similar flexural and compressive strength before 7 days. After 28 days, ternary cement with fine limestone (NO.2) shows the highest flexural strength while fine PC (NO.3) has the highest compressive strength. In addition, ternary cement with fine slag (NO.1) shows a better chloride migration resistance but a lower carbonation resistance compared with the other two ternary cements. Moreover, the durability performance of ternary cement with fine PC (NO.3) is better than that of fine limestone (NO.2).

Keywords: limestone, particle size distribution, slag, ternary cement

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Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid, A. Sefir

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Structural, electronic, and magnetic properties of Co and Mn-doped CdTe have been studied by employing the full potential linear augmented plane waves (FP-LAPW) method within the spin-polarized density functional theory (DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA) as exchange–correlation (XC) potential. We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, spin-polarized band structures, and total and local densities of states. The value of calculated magnetic moment per Co and Mn impurity atoms is found to be 2.21 µB for CdCoTe and 3.20 µB for CdMnTe. The calculated densities of states presented in this study identify the half-metallic of Co and Mn-doped CdTe.

Keywords: electronic structure, density functional theory, band structures, half-metallic, magnetic moment

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Authors: Ünal Kızıl, Levent Genç, Sefa Aksu, Ahmet Tapınç

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The Figaro AM-1 sensor module which employs TGS 2600 model gas sensor in air quality assessment was used. The system was coupled with a microprocessor that enables sensor module to create warning message via telephone. This low cot sensor system’s performance was compared with a Diagnose II commercial electronic nose system. Both air quality sensor and electronic nose system employ metal oxide chemical gas sensors. In the study experimental setup, data acquisition methods for electronic nose system, and performance of the low cost air quality system were evaluated and explained.

Keywords: air quality, electronic nose, environmental quality, gas sensor

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Authors: Abdelali Laid, Abid Hamza, Zeroukhi Houari, Sayah Naimi

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This work relates to the study of the energy levels and the optimization of the Parameter intrinsic (a number of wells and their widths, width of barrier of potential, index of refraction etc.) and extrinsic (temperature, pressure) in the Structure laser diode containing the structure GaInP. The methods of calculation used; - method of the empirical pseudo potential to determine the electronic structures of bands, - graphic method for optimization. The found results are in concord with those of the experiment and the theory.

Keywords: semi-conductor, GaInP/AlGaInP, pseudopotential, energy, alliages

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Authors: Alexander Hudson, Shaogang Gong

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Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive, time-consuming analytical methods to visualise detailed protein conformation. In this study, we demonstrate that it is possible to make accurate (≥80%) predictions of protein class and architecture from structures determined at low (>3A) resolution, using a deep convolutional neural network trained on high-resolution (≤3A) structures represented as 2D matrices. Thus, we provide proof of concept for high-speed, low-cost protein structure classification at low resolution, and a basis for extension to prediction of function. We investigate the impact of the input representation on classification performance, showing that side-chain information may not be necessary for fine-grained structure predictions. Finally, we confirm that high resolution, low-resolution and NMR-determined structures inhabit a common feature space, and thus provide a theoretical foundation for boosting with single-image super-resolution.

Keywords: transfer learning, protein distance maps, protein structure classification, neural networks

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Authors: Monjurul Hasan, Golam Kibria, Abdus Salam

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Pervious concrete is a form of lightweight porous concrete, obtained by eliminating the fine aggregate from the normal concrete mix. The advantages of this type of concrete are lower density, lower cost due to lower cement content, lower thermal conductivity, relatively low drying shrinkage, no segregation and capillary movement of water. In this paper an investigation is made on the mechanical response of the pervious concrete at zero fine level (zero fine concrete) made with local brick aggregate. Effect of aggregate size variation on the strength, void ratio and permeability of the zero fine concrete is studied. Finally, a comparison is also presented between the stone aggregate made pervious concrete and brick aggregate made pervious concrete. In total 75 concrete cylinder were tested for compressive strength, 15 cylinder were tested for void ratio and 15 cylinder were tested for permeability test. Mix proportion (cement: Coarse aggregate) was kept fixed at 1:6 (by weights), where water cement ratio was valued 0.35 for preparing the sample specimens. The brick aggregate size varied among 25mm, 19mm, 12mm. It has been found that the compressive strength decreased with the increment of aggregate size but permeability increases and concrete made with 19mm maximum aggregate size yields the optimum value. No significant differences on the strength and permeability test are observed between the brick aggregate made zero fine concrete and stone aggregate made zero fine concrete.

Keywords: pervious concrete, brick aggregate concrete, zero fine concrete, permeability, porosity

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Authors: Jose Alberto Duarte Moller, Cynthia Deisy Gomez Esparza

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The cobalt-titanium system was grown as thin films in an INTERCOVAMEX V3 sputtering system, equipped with four magnetrons assisted by DC pulsed and direct DC. A polished highly oriented (400) silicon wafer was used as substrate and the growing temperature was 500 oC. Xray Absorption Spectroscopy experiments were carried out in the SSRL in the 4-3 beam line. The Extenden X-Ray Absorption Fine Structure spectra have been numerically processed by WINXAS software from the background subtraction until the normalization and FFT adjustment. Analyzing the absorption spectra of cobalt in the CoTi2 phase we can appreciate that they agree in energy with the reference spectra that corresponds to the CoO, which indicates that the valence where upon working is Co2+. The RDF experimental results were then compared with those RDF´s generated theoretically by using FEFF software, from a model compound of CoTi2 phase obtained by XRD. The fitting procedure is a highly iterative process. Fits are also checked in R-space using both the real and imaginary parts of Fourier transform. Finally, the presence of overlapping coordination shells and the correctness of the assumption about the nature of the coordinating atom were checked.

Keywords: XAS, EXAFS, FEFF, CoTi

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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: Yeganeh Faraji, Ned Faraji

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The aim of the present study is to search for the effects of training on improving fine hand skills in children with autistic spectrum disorder through the case study statistic method. The sample group was selected by the available sampling method and included four participants. The methodology of this research was a single-subject semi-experimental of AB design. The data were gathered by natural observation. In the next stage, the data were recorded on data record sheets and then presented on diagrams. The sample group was evaluated by an assessment which the researcher created based on Lincoln-Oseretsky’ motor development scale in two pre-test and post-test phases. In order to promote fingers’ fine movement, the Montessori method was applied. Collecting and analyzing data which were shown by the data presentation method and diagrams, proved that it had no significant effect on improving fingers’ fine movement. Therefore, based on the current research findings, it is suggested that future researchers can apply various teaching methods and different tests for improving fine hand skills or increasing the period of training.

Keywords: autism spectrum disorder, Montessori method, fine motor skills, Lincoln-Oseretsky assessment

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Authors: S. Nqayi

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Understanding the structural, electronic, and magnetic properties of nanomaterials is essential for developing next-generation electronic and spintronic devices, contributing to the progress of nanoscience and nanotechnology applications. Multiferroic materials, with intimately coupled ferroic-order parameters, are widely considered to breed fascinating physical properties and provide unique opportunities for the development of next-generation devices, like multistate non-volatile memory. In this study, we are set to investigate the structural, electronic, and magnetic properties of the frustrated Feᴵᴵ/Smⱽᴵ sublattice in relation to the widely studied perovskites for spintronics applications. The atomic composition, microstructure, crystallography, magnetization, thermal, and dielectric properties of a pyrochlore Sm₂Fe₂O₇ system synthesized using sol-gel methods are currently being investigated. Precursor powders were dissolved in citric acid monohydrate to obtain a solution. The obtained solution was stirred and heated using a magnetic stirrer to obtain the gel phase. Then, the gel was dried at 200°C to remove water and organic compounds and form an orange powder. The X-ray diffraction analysis confirms that the structure crystallized as a pyrochlore structure with a tetragonal F4mm (107) symmetry. The presence of Fe³⁺/Fe⁴⁺ mixed states is also revealed by XPS analysis.

Keywords: nanostructures, multiferroic materials, pyrochlores, spintronics

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Authors: Krishnamoorthy Sathiyan, Shanti Gopal Patra, Ronen Bar-Ziv, Tomer Zidki

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Developing efficient non-noble metal catalysts that are cheap and durable for oxygen evolution reaction (OER) is a great challenge. Moreover, altering the electronic structure of the catalyst and structural engineering of the materials provide a new direction for enhancing the OER. Herein, we have successfully synthesized Fe and Co incorporated MoS₂ catalysts, which show improved catalytic activity for OER when compared with MoS₂, Fe-MoS₂, and Co-MoS₂. It was found that at an optimal ratio of Fe and Co, the electronic and structural modification of MoS₂ occurs, which leads to change in orientation and thereby enhances the active catalytic sites on the edges, which are more exposed for OER. The nanocomposites have been well characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), and energy dispersive X-ray analysis (EDX), Elemental Mapping, transmission electron microscope (TEM), and high-resolution transmission electron microscope (HR-TEM) analysis. Among all, a particular ratio of FeCo-MoS₂ exhibits a much smaller onset with better catalytic current density. The remarkable catalytic activity is mainly attributed to the synergistic effect from the Fe and Co. Most importantly, our work provides an essential insight in altering the electronic structure of MoS₂ based materials by incorporating promoters such as Co and Fe in an optimal amount, which enhances OER activity.

Keywords: electrocatalysts, molybdenum disulfide, oxygen evolution reaction, transition metals

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Authors: Jiwuer Jilili, Fabrizio Cossu, Udo Schwingenschlogl

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By first-principles calculations we investigate the structural, electronic, and magnetic properties of the (LaMnO3)2/(SrTiO3)2 superlattice. We find that a monoclinic C2h symmetry is energetically favorable and that the spins order ferromagnetically. Under both compressive and tensile uniaxial strain the electronic structure of the superlattice shows a half-metallic character. In particular, a fully spin-polarized two-dimensional electron gas, which traces back to the Ti 3dxy orbitals, is achieved under compressive uniaxial strain.

Keywords: manganite, strain, 2DEG, superlattice

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Authors: Kazeem K. Adewole, Ismail A. Yahya

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In the published literature, Palm Kernel Shell (PKS), an agricultural waste has largely been used as a large aggregate in PKS concrete production. In this paper, the development of Crushed Palm Kernel Shell Fine Aggregate Concrete (CPKSFAC) with crushed PKS (CPKS) as the fine aggregate and granite as the coarse aggregate is presented. 100mm x 100mm x 100mm 1:11/2:3 and 1:2:4 CPKSFAC and River Sand Fine Aggregate Concrete (RSFAC) cubes were molded, cured for 28 days and subjected to a compressive strength test. The average wet densities of the 1:11/2:3 and 1:2:4 CPKSFAC cubes are 2240kg/m3 and 2335kg/m3 respectively. The average wet densities of the 1:11/2:3 and 1:2:4 RSFAC cubes are 2606kg/m3 and 2553kg/m3 respectively. The average compressive strengths of the 1:11/2:3 and 1:2:4 CPKSFAC cubes are 15.40MPa and 14.30MPa respectively. This study demonstrates that CPKSFA is suitable for the production of non-structural C8/10 and C12/15 concrete specified in BS EN 206-1:2000.

Keywords: crushed palm kernel shell, fine aggregate, lightweight concrete, non-structural concrete

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Authors: Ahmed Al-Mansour, Qiang Zeng

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Recycling waste plastics in the form of concrete components, i.e. fine aggregates, has been an attractive topic among the society of civil engineers. Not only does the recycling of plastics reduce the overall cost of concrete production, but it also takes part in solving environmental issues. Nevertheless, the incorporation of recycled plastics into concrete results in an increasing reduction in the mechanical properties of concrete as the percentage of replacement of natural aggregates increases. In order to overcome this reduction, Ethylene-vinyl acetate (EVA) was used as an additive in concrete with recycled plastic aggregates. The aim of this additive is to: 1) increase the interfacial interaction at the interfacial transition zone (ITZ) between plastic pellets and cement matrix, and 2) mitigate the loss in mechanical properties. Three different groups of samples (i.e. cubes and prisms) were tested according to the plastics substituting fine aggregates. 5, 10, and 15% of fine aggregates were substituted for recycled plastic pellets, and 2 – 4% of the cement was substituted for EVA that produces a flexible agent when mixed properly with water. Compressive and tensile strength tests were conducted for the mechanical properties, while SEM and X-CT scan were implemented for further investigation of calcium-silicate-hydrate (C–S–H) formation and ITZ analysis. The optimal amount of plastic particles with EVA is suggested to get the most compact and dense matrix structure according to the results of this study.

Keywords: the durability of concrete, ethylene-vinyl acetate (EVA), interfacial transition zone (ITZ), recycled plastics

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Authors: K. Arroudj, M. Lanez, M. N. Oudjit

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The introduction of siliceous mineral additions in cement production allows, in addition to the ecological and economic gain, improvement of concrete performance. This improvement is mainly due to the fixing of Portlandite, released during the hydration of cement, by fine siliceous, forming denser calcium silicate hydrates and therefore a more compact cementitious matrix. This research is part of the valuation of the Dune Sand (DS) in the cement industry in Algeria. The high silica content of DS motivated us to study its effect, at ground state, on the properties of mortars in fresh and hardened state. For this purpose, cement pastes and mortars based on ground dune sand (fine quartz) has been analyzed with a replacement to cement of 15%, 20% and 25%. This substitution has reduced the amount of heat of hydration and avoids any risk of initial cracking. In addition, the grinding of the dune sand provides amorphous thin populations adsorbed at the surface of the crystal particles of quartz. Which gives to ground quartz pozzolanic character. This character results an improvement of mechanical strength of mortar (66 MPa in the presence of 25% of ground quartz).

Keywords: mineralogical structure, pozzolanic reactivity, Quartz, mechanical strength

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