Search results for: agreement

Authors: Abdulkadir Abu Lawal

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For the dearth of reliable cardinal numerical data, the linked phenomena in productivity indices such as operational costs and company turnovers, etc. could not be investigated. This would not give us insight to the root of productivity problems at unique sites. So, ordinal ranking by professionals who were most directly involved with construction sites was applied for Kendall’s concordance. Responses gathered from independent architects, builders/engineers, and quantity surveyors were herein analyzed. They were responses based on factors that affect sites productivity, and these factors were categorized as head office factors, resource management effectiveness factors, motivational factors, and training/skill development factors. It was found that productivity is low and has to be improved in order to facilitate Nigerian efforts in bridging its infrastructure deficit. The significance of this work is underlined with the Kendall’s coefficient of concordance of 0.78, while remedial measures must be emphasized to stimulate better productivity. Further detailed study can be undertaken by using Fuzzy logic analysis on wider Delphi survey.

Keywords: factors, Kendall's coefficient of concordance, magnitude of agreement, percentage magnitude of dichotomy, ranking variables

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Authors: Amir Doustgani

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Melt electrospinning is a safe and simple technique for the production of micro and nanofibers which can be an alternative to conventional solvent electrospinning. The effects of various melt-electrospinning parameters, including molecular weight, electric field strength, flow rate and temperature on the morphology and fiber diameter of polylactic acid were studied. It was shown that molecular weight was the predominant factor in determining the obtainable fiber diameter of the collected fibers. An orthogonal design was used to examine process parameters. Results showed that molecular weight is the most effective parameter on the average fiber diameter of melt electrospun PLA nanofibers and the flow rate has the less important impact. Mean fiber diameter increased by increasing MW and flow rate, but decreased by increasing electric field strength and temperature. MFD of optimized fibers was below 100 nm and the result of software was in good agreement with the experimental condition.

Keywords: fiber formation, processing, spinning, melt blowing

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Authors: A. Bentabet, A. Aydin, N. Fenineche

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The mean penetration depth has a most important in the absorption transport phenomena. Analytical model of light ion backscattering coefficients from solid targets have been made by Vicanek and Urbassek. In the present work, we showed a mathematical expression (deterministic model) for Z1/2. In advantage, in the best of our knowledge, relatively only one analytical model exit for electron or positron mean penetration depth in solid targets. In this work, we have presented a simple geometric spherical model of absorbed particles based on CSDA scheme. In advantage, we have showed an analytical expression of the mean penetration depth by combination between our model and the Vicanek and Urbassek theory. For this, we have used the Relativistic Partial Wave Expansion Method (RPWEM) and the optical dielectric model to calculate the elastic cross sections and the ranges respectively. Good agreement was found with the experimental and theoretical data.

Keywords: Bentabet spherical geometric model, continuous slowing down approximation, stopping powers, ranges, mean penetration depth

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Authors: I. Teotónio, C.O. Cruz, C.M. Silva, M. Manso

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Diverse stakeholders show different concerns when choosing green roof systems. Also, green roof solutions vary in their cost and performance. Therefore, decision-makers continually face the difficult task of balancing benefits against green roofs costs. Decision analysis methods, as multicriteria analysis, can be used when the decision‑making process includes different perspectives, multiple objectives, and uncertainty. The present study adopts a multicriteria decision model to evaluate the installation of green roofs in buildings, determining the solution with the best trade-off between costs and benefits in agreement with the preferences of the users/investors. This methodology was applied to a real decision problem, assessing the preferences between different green roof systems in an existing building in Lisbon. This approach supports the decision-making process on green roofs and enables robust and informed decisions on urban planning while optimizing buildings retrofitting.

Keywords: decision making, green roofs, investors preferences, multicriteria analysis, sustainable development

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Authors: Maha BenHamad, Ali Snoussi, Ammar Ben Brahim

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A steady-state analysis of triple-effect thermal vapor compressor desalination unit was performed. A mathematical model based on mass, salinity and energy balances is developed. The purpose of this paper is to develop a connection between process simulator and process optimizer in order to study the influence of several operating variables on the performance and the produced water cost of the unit. A MATLAB program is used to solve the model equations, and Aspen HYSYS is used to model the plant. The model validity is examined against a commercial plant and showed a good agreement between industrial data and simulations results. Results show that the pressures of the last effect and the compressed vapor have an important influence on the produced cost, and the increase of the difference temperature in the condenser decreases the specific heat area about 22%.

Keywords: steady-state, triple effect, thermal vapor compressor, Matlab, Aspen Hysys

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Authors: Badiossadat Hassanpour, Reza Sirjani, Nangkuala Utaberta

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The avant-garde educational systems are striving to find a life long learning methods. Different fields and majors have test variety of proposed models, and found their difficulties and strengths. Architecture as a critical stage of education due to its characteristics which are learning by doing and critique based education and evaluation is out of this study procedure. Learning contracts is a new alternative form of evaluation of students’ achievements, while it acts as agreement about learning goals. Obtained results from studies in different fields which confirm its positive impact on students' learning in those fields and positively affected students' motivation and confidence in meeting their own learning needs, prompted us to implement this model in architecture design studio. In this implemented contract to the studio, students were asked to use the existing possibility of contract to have self assessment and examine their professional development to identify whether they are deficient or they would like to develop more expertise. The evidences of this research as well indicate that students feel positive about the learning contract and see it accommodating their individual learning needs.

Keywords: contract (LC), architecture design studio, education, student-centered learning

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Authors: Mohammed A. Sakr, Tarek M. Khalifa, Walid N. Mansour

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Fiber reinforced polymer (FRP) installation is a very effective way to repair and strengthen structures that have become structurally weak over their life span. This technique attracted the concerning of researchers during the last two decades. This paper presents a simple uniaxial nonlinear finite element model (UNFEM) able to accurately estimate the load-carrying capacity, different failure modes and the interfacial stresses of reinforced concrete (RC) continuous beams flexurally strengthened with externally bonded FRP plates on the upper and lower fibers. Results of the proposed finite element (FE) model are verified by comparing them with experimental measurements available in the literature. The agreement between numerical and experimental results is very good. Considering fracture energy of adhesive is necessary to get a realistic load carrying capacity of continuous RC beams strengthened with FRP. This simple UNFEM is able to help design engineers to model their strengthened structures and solve their problems.

Keywords: continuous beams, debonding, finite element, fibre reinforced polymer

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Authors: M. S. M. Yusof, R. Ramli, S. K. C. Soh, N. Ismail, N. Ngah

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This study presents the synthesis of a series of methoxybenzoylthiourea amino acid derivatives. The compounds were obtained from the reactions between 2/3/4-methoxybenzoyl isothiocyanate with threonine. All of the compounds were characterized via mass spectrometry, ¹H and ¹³C NMR spectrometry, UV-Vis spectrophotometer and FT-IR spectroscopy. Mass spectra for all of the compounds showed the presence of molecular ion [M]⁺ peaks at m/z 312, which are in agreement to the calculated molecular weight. For ¹H NMR spectra, the presence of OCH₃, C=S-NH and C=O-NH protons were observed within range of δ_H 3.8-4.0 ppm, 11.1-11.5 ppm and 10.0-11.5 ppm, respectively. ¹³C NMR spectra in all compounds displayed the presence of OCH₃, C=O-NH, C=O-OH and C=S carbon resonances within range of δ_C 55.0-57.0 ppm, 165.0-168.0 ppm, 170.0-171.0 ppm and 180.0-182.0 ppm, respectively. In UV spectra, two absorption bands have been observed and both were assigned to the n-π* and π-π* transitions. Six vibrational modes of v(N-H), v(O-H), v(C=O-OH), v(C=O-NH), v(C=C) aromatic and v(C=S) appeared in the FT-IR spectra within the range of 3241-3467 cm^-1, 2976-3302 cm^-1, 1720-1768 cm^-1, 1655-1672 cm^-1, 1519-1525 cm^-1 and 754-763 cm^-1, respectively. The antibacterial activity for all of the compounds was screened against Staphylococcus aureus, Staphylococcus epidermidis, Salmonella typhimurium and Escherichia coli. However, no activity was observed.

Keywords: methoxybenzoyl isothiocyanate, amino acid, threonine, antibacterial

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Authors: L. Foudia, K. Haddadi, M. Reffas

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First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap.

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Authors: Pilar Cornejo Ulloa, Guy Willems, Steffen Fieuws, Kim Quintelier, Wim Van Neer, Patrick Thevissen

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Dental age estimation can be performed both in living and deceased individuals. In anthropology, few studies have tested the reliability of dental age estimation methods complementary to the usually applied osteological methods. Objectives: In this study, destructive and non-destructive dental age estimation methods were applied on an archeological sample in order to compare them with the previously obtained anthropological age estimates. Materials and Methods: One hundred and thirty-four teeth from 24 individuals were analyzed using Kvaal, Kvaal and Solheim, Bang and Ramm, Lamendin, Gustafson, Maples, Dalitz and Johanson’s methods. Results: A high variability and wider age ranges than the ones previously obtained by the anthropologist could be observed. Destructive methods had a slightly higher agreement than the non-destructive. Discussion: Due to the heterogeneity of the sample and the lack of the real age at death, the obtained results were not representative, and it was not possible to suggest one dental age estimation method over another.

Keywords: archeology, dental age estimation, forensic anthropology, forensic dentistry

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Authors: Masato Nishi, Tetsushi Kaburagi, Masashi Kurose, Tei Hirashima, Tetsusei Kurasiki

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The process of thermoforming a carbon fiber reinforced thermoplastic (CFRTP) has increased its presence in the automotive industry for its wide applicability to the mass production car. A non-isothermal forming for CFRTP can shorten its cycle time to less than 1 minute. In this paper, the textile reinforcement FE model which the authors proposed in a previous work is extended to the CFRTP model for non-isothermal forming simulation. The effect of thermoplastic is given by adding shell elements which consider thermal effect to the textile reinforcement model. By applying Reuss model to the stress calculation of thermoplastic, the proposed model can accurately predict in-plane shear behavior, which is the key deformation mode during forming, in the range of the process temperature. Using the proposed model, thermoforming simulation was conducted and the results are in good agreement with the experimental results.

Keywords: carbon fiber reinforced thermoplastic, finite element analysis, pre-impregnated textile composite, non-isothermal forming

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Authors: Asghar Ebrahimi, Elyas Lakzian

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For the analysis of flow inside micro geometries, classical CFD methods can not accurately predict the behavior of flow. Alternatively, the gas flow through micro geometries can be investigated precisely using the direct simulation Monte Carlo (DSMC) method. In the present paper, a pressure boundary condition is utilized to simulate a gaseous flow inside a micro channel using the DSMC method. Accuracy of simulation is guaranteed by choosing proper cell dimension and number of particle per cell analysis. Also, results of simulation are compared with the results of reliable references. Good agreement with results certifies the correctness of new boundary condition implemented on the micro channel.

Keywords: pressure boundary condition, DSMC, micro channel, cell dimension, particle per cell

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Authors: Valentina Futoryanova, Hugh Hunt

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One of the common failure modes of the diesel engine turbochargers is high cycle fatigue of the turbine wheel blades. Mistuning of the blades due to the casting process is believed to contribute to the failure mode. Laser vibrometer is used to characterize mistuning for a population of turbine wheels through the analysis of the blade response to piezo speaker induced noise. The turbine wheel design under investigation is radial and is typically used in 6-12 L diesel engine applications. Amplitudes and resonance frequencies are reviewed and summarized. The study also includes test results for a paddle wheel that represents a perfectly tuned system and acts as a reference. Mass spring model is developed for the paddle wheel and the model suitability is tested against the actual data. Randomization is applied to the stiffness matrix to model the mistuning effect in the turbine wheels. Experimental data is shown to have good agreement with the model.

Keywords: vibration, radial turbines, mistuning, turbine blades, modal analysis, periodic structures, finite element

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Authors: Tomoko Yaginuma, Rosa Cabecinhas

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Recently, the studies of the images about Japan and/or the Japanese people have been done in a Japanese language education context since the number of the students of Japanese as a Foreign Language (JFL) has been increasing worldwide, including in Portugal. It has been claimed that one of the reasons for this increase is the current popularity of Japanese pop-culture, namely anime (Japanese animations) and manga (Japanese visual novels), among young students. In the present study, the images about Japan and the Japanese held by JFL students in Portugal were examined by a questionnaire survey. The JFL students in higher education in Portugal (N=296) were asked to answer, among the other questions, their degree of agreement (using a Likert scale) with 24 pre-defined descriptions about the Japanese, which appear as relevant in a qualitative pilot study conducted before. The results show that the image of Japanese people by Portuguese JFL students is stressed around four dimensions: 1) diligence, 2) kindness, 3) conservativeness and 4) innovativeness. The students considered anime was the main source of information about the Japanese people and culture and anime was also strongly associated with the students’ interests in learning Japanese language.

Keywords: anime, cultural studies, images about Japan and Japanese people, Portugal

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Authors: Rana I. Abdulghani, Amera I. Melhum

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With the abnormal growth of the usage of computers over networks and under the consideration or agreement of most of the computer security experts who said that the goal of building a secure system is never achieved effectively, all these points led to the design of the intrusion detection systems(IDS). This research adopts a comparison between two techniques for network intrusion detection, The first one used the (Particles Swarm Optimization) that fall within the field (Swarm Intelligence). In this Act, the algorithm Enhanced for the purpose of obtaining the minimum error rate by amending the cluster centers when better fitness function is found through the training stages. Results show that this modification gives more efficient exploration of the original algorithm. The second algorithm used a (Back propagation NN) algorithm. Finally a comparison between the results of two methods used were based on (NSL_KDD) data sets for the construction and evaluation of intrusion detection systems. This research is only interested in clustering the two categories (Normal and Abnormal) for the given connection records. Practices experiments result in intrude detection rate (99.183818%) for EPSO and intrude detection rate (69.446416%) for BP neural network.

Keywords: IDS, SI, BP, NSL_KDD, PSO

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Authors: Shraddha Digole, Swarali Hingse, Uday Annapure

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Mycophenolic acid (MPA) is an immunosuppressant; produced by Penicillium Sp. Box-Behnken statistical experimental design was employed to optimize the condition of Penicillium brevicompactum NRRL 2011 for mycophenolic acid (MPA) production. Initially optimization of various physicochemical parameters and media components was carried out using one factor at a time approach and significant factors were screened by Taguchi L-16 orthogonal array design. Taguchi design indicated that glucose, KH2PO4 and MgSO4 had significant effect on MPA production. These variables were selected for further optimization studies using Box-Behnken design. Optimised fermentation condition, glucose (60 g/L), glycine (28 g/L), L-leucine (1.5g/L), KH2PO4 (3g/L), MgSO4.7H2O (1.5g/L), increased the production of MPA from 170 mg/L to 1032.54 mg/L. Analysis of variance (ANOVA) showed a high value of coefficient of determination R2 (0.9965), indicating a good agreement between experimental and predicted values and proves validity of the statistical model.

Keywords: Box-Behnken design, fermentation, mycophenolic acid, Penicillium brevicompactum

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Authors: Mohammed Alrajhi

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Radiological properties of gel dosimeters and phantom materials are often evaluated in terms of effective atomic number, electron density, photon mass attenuation coefficient, photon mass energy absorption coefficient and total stopping power of electrons. To evaluate the water equivalence of such materials for fast neutron attenuation 19 different types of gel dosimeters and phantom materials were considered. Macroscopic removal cross-sections for fast neutrons (ΣR cm-1) have been calculated for a range of ferrous-sulphate and polymeric gel dosimeters using Nxcom Program. The study showed that the value of ΣR/ρ (cm2.g-1) for all polymer gels were in close agreement (1.5- 2.8%) with that of water. As such, the slight differences in ΣR/ρ between water and gels are small and may be considered negligible. Also, the removal cross-section of the studied phantom materials were very close (~ ±1.5%) to that of water except bone (cortical) which had about 38% variation. Finally, the variation of removal cross-section with hydrogen content was studied.

Keywords: cross-section, neutron, photon, coefficient, mathematics

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Authors: Anatoly V. Stepanov, Maria Y. Ilyushkina, Alexander S. Burnasov

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Expansion of tourism, especially after WWII, has led to significant improvements in the regional infrastructure. The present study has revealed a lot of progress in the advancement of industrial heritage narrative in the Central Urals. The evidence comes from the general public’s increased fascination with some of Europe’s oldest mining and industrial sites, and the agreement of many stakeholders that the Urals industrial heritage should be preserved. The development of tourist sites in Nizhny Tagil and Nevyansk, gold-digging in Beryosovsky, gemstone search in Murzinka, and the progress with the Urals Gemstone Ring project are the examples showing the immense opportunities of industrial heritage tourism development in the region that are still to be realized. Regardless of the economic future of the Central Urals, whether it will remain an industrial region or experience a deeper deindustrialization, the sprouts of the industrial heritage tourism should be advanced and amplified for the benefit of local communities and the tourist community at large as it is hard to imagine a more suitable site for the discovery of industrial and mining heritage than the Central Urals Region of Russia.

Keywords: industrial heritage, mining heritage, Central Urals, Russia

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Authors: Qaisar Fraz, H. M. Jafar, Mojeeb Bin Ihsan

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This paper presents simulation and experimen-tal results for wide band U-shaped side slots loaded linearly polarized rectangular microstrip antenna with broad side radiation characteristics suitable for onboard applications. The structure has been evolved in rugged and compact form to make it suitable for on-board applications. In addition to U-shaped central slot, pair of parallel narrow slots has been embedded close to non-radiating edges. The size and shape of these side slots have been optimized to improve the matching at upper frequency of the band. The impedance bandwidth of 34.8% as compared to 2-5% bandwidth of conventional microstrip antenna has been achieved. The frequency ratio of the two well-matched operating sections is found to be f2 / f1=1.33. The experimental results are in good agreement with the numerical results.

Keywords: low profile antennas, u-slot antennas, broad band antennas, broad-side radiation pattern, high gain antennas

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Authors: Samah Laalej, Abdelfattah Bouatem

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In the field of wind turbine blades, it is complicated to evaluate the aerodynamic performances through experimental measurements as it requires a lot of computing time and resources. Therefore, in this paper, a hybrid BEM-CFD numerical technique is developed to predict power and aerodynamic forces acting on the blades. Computational fluid dynamics (CFD) simulation was conducted to calculate the drag and lift forces through Ansys software using the K-w model. Then an enhanced BEM code was created to predict the power outputs generated by the wind turbine using the aerodynamic properties extracted from the CFD approach. The numerical approach was compared and validated with experimental data. The power curves calculated from this hybrid method were in good agreement with experimental measurements for all velocity ranges.

Keywords: blade element momentum, aerodynamic forces, wind turbine blades, computational fluid dynamics approach

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Authors: Najla Althuniyan

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Online discussions take place across different platforms. These discussions have the potential to extract crowd wisdom and capture the collective intelligence from a different perspective. However, certain phenomena, such as controversy, often appear in online argumentation that makes the discussion between participants heated. Heated discussions can be used to extract new knowledge. Therefore, detecting the presence of controversy is an essential task to determine if collective intelligence can be extracted from online discussions. This paper uses existing measures for estimating controversy quantitatively in cyber-argumentation. First, it defines controversy in different fields, and then it identifies the attributes of controversy in online discussions. The distributions of user opinions and the distance between opinions are used to calculate the controversial degree of a discussion. Finally, the results from each controversy measure are discussed and analyzed using an empirical study generated by a cyber-argumentation tool. This is an improvement over the existing measurements because it does not require ground-truth data or specific settings and can be adapted to distribution-based or distance-based opinions.

Keywords: online argumentation, controversy, collective intelligence, agreement analysis, collaborative decision-making, fuzzy logic

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Authors: Naime Boudemagh, Zoheir Hammoudi

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The parameters estimation of the K-distribution is an essential part in radar detection. In fact, presence of interfering targets in reference cells causes a decrease in detection performances. In such situation, the estimate of the shape and the scale parameters are far from the actual values. In the order to avoid interfering targets, we propose an Automatic Censoring (AC) algorithm of radar interfering targets in K-distribution. The censoring technique used in this work offers a good discrimination between homogeneous and non-homogeneous environments. The homogeneous population is then used to estimate the unknown parameters by the classical Method of Moment (MOM). The AC algorithm does not need any prior information about the clutter parameters nor does it require both the number and the position of interfering targets. The accuracy of the estimation parameters obtained by this algorithm are validated and compared to various actual values of the shape parameter, using Monte Carlo simulations, this latter show that the probability of censing in multiple target situations are in good agreement.

Keywords: parameters estimation, method of moments, automatic censoring, K distribution

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Authors: Ngozi Claribelle Nwogu, Mohammed Nasir Kajama, Oyoh Kechinyere, Edward Gobina

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Atmospheric carbon dioxide emissions are considered as the greatest environmental challenge the world is facing today. The challenges to control the emissions include the recovery of CO2 from flue gas. This concern has been improved due to recent advances in materials process engineering resulting in the development of inorganic gas separation membranes with excellent thermal and mechanical stability required for most gas separations. This paper therefore evaluates the performance of a highly selective inorganic membrane for CO2 recovery applications. Analysis of results obtained is in agreement with experimental literature data. Further results show the prediction performance of the membranes for gas separation and the future direction of research. The materials selection and the membrane preparation techniques are discussed. Method of improving the interface defects in the membrane and its effect on the separation performance has also been reviewed and in addition advances to totally exploit the potential usage of this innovative membrane.

Keywords: carbon dioxide, gas separation, inorganic ceramic membrane, permselectivity

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Authors: Parisa Ahmadi Oliaei, Seyed Abolhassan Naeini

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The knowledge of soil–reinforcement interaction parameters is particularly important in the design of reinforced soil structures. The pull-out test is one of the most widely used tests in this regard. The results of tensile tests may be very sensitive to boundary conditions, and more research is needed for a better understanding of the Pull-out response of reinforcement, so numerical analysis using the finite element method can be a useful tool for the understanding of the Pull-out response of soil-geogrid interaction. The main objective of the present study is to compare the numerical and experimental results of Pull- out a test on geogrid-reinforced sandy soils interactions. Plaxis 2D finite element software is used for simulation. In the present study, the pull-out test modeling has been done on sandy soil. The effect of geogrid hardness was also investigated by considering two different types of geogrids. The numerical results curve had a good agreement with the pull-out laboratory results.

Keywords: plaxis, pull-out test, sand, soil- geogrid interaction

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Authors: Mostefa Mimoune

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Test results on concrete-filled steel tubular stub columns under axial compression are presented. The study was mainly focused on square hollow section SHS columns; 27 columns were tested. The main experimental parameters considered were the thickness of the tube, columns length and cross section sizes. Existing design codes and theoretical model were used to predict load-carrying capacities of composite section to compare the accuracy of the predictions by using the recommendations of DTR-BC (Algerian code), CSA (Canadian standard), AIJ, EC4, DBJ, AISC, BS and EC4. Experimental results indicate that the studied parameters have significant influence on both the compressive load capacity and the column failure mode. All codes used in the comparison, provide higher resistance compared to those of tests. Equation method has been suggested to evaluate the axial capacity of the composite section seem to be in agreement with tests.

Keywords: axial loading, composite section, concrete-filled steel tubes, square hollow section

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Authors: Abdulhakim Ali Mosleh Alzubidy

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The study's aim was to establish a proposed training program for kindergarten teachers according to their modern professional demands so that they could effectively teach children through movement education and play. The sample, which consisted of (46) teachers and administrators selected at random from the Ibb governorate, represented the study population of kindergarten teachers and administrators. The researcher developed three survey forms as a tool for data collection, and the forms were used with the research sample. The researcher used the descriptive method due to its applicability and the nature of the study, and he also used the appropriate statistical treatment of the data, which is to extract the percentage and the percentage of agreement. The study came to the following conclusions: ● The proposed program is of great importance in preparing the kindergarten teacher in an appropriate manner that keeps pace with modern developments in this field. ● The field of movement education is a necessity for the kindergarten teacher, through which she will be able to prepare the child physically and kinetically and teach him effectively the principles of reading, writing, and numerical and arithmetic concepts.

Keywords: training program, professional needs, kindergarten, kindergarten teacher

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also, we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results have shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR, and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: hydrogen bonding, density functional theory (DFT), natural bond orbitals (NBO), cooperativity effect

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Authors: Sang Kompiang Wirawan, Chandra Purnomo

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Carbon dioxide (CO2) adsorption on the activated Klaten-Indonesian natural zeolite (AKINZ) in a packed bed adsorber has been studied. Experiment works consisted of acid activation and adsorption experiments. The natural zeolite sample was activated using 0.3 M HCl at the temperature of 353 K. In the adsorption experiments the feed gas concentrations were 40 and 80 % CO2 in helium within various temperatures of 303; 323 and 373 K. The experiments were conducted by using transient step change adsorption and 20 % Ar/He tracer experiment was conducted to measure dispersion and time lag effect of the packed bed system. A mathematical model of CO2 adsorption had been set up by assuming plug flow;isothermal;isobaric and no gas film mass transport resistance. Single site Langmuir physisorption and Maxwell Stefan mass transport in micropore were applied. All the data were then optimized to get the best value of modified fitted parameter. The model was in a good agreement with the experiment data. Diffusivity tended to increase by increasing temperatures.

Keywords: adsorption, Langmuir, Maxwell-Stefan, natural zeolite, surface diffusion

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Authors: Youb Said, Fourar Ali

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To describe the influence of bottom roughness on the free surface flows by numerical modeling, a two-dimensional model was developed. The equations of continuity and momentum (Naviers Stokes equations) are solved by the finite volume method. We considered a turbulent flow in an open channel with a bottom roughness. For our simulations, the K-ε model was used. After setting the initial and boundary conditions and solve the equations set, we were able to achieve the following results: vortex forming in the hollow causing substantial energy dissipation in the obstacle areas that form the bottom roughness. The comparison of our results with experimental ones shows a good agreement in terms of the results in the rough area. However, in other areas, differences were more or less important. These differences are in areas far from the bottom, especially the free surface area just after the bottom. These disagreements are probably due to experimental constants used by the k-ε model.

Keywords: modeling, free surface flow, turbulence, bottom roughness, finite volume, K-ε model, energy dissipation

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Authors: Ahmed H. Amer, A. Amar, Sh. Hamada, I. I. Bondouk, F. A. El-Hussiny

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Elastic scattering of α-particles from 9Be and 11B nuclei at different alpha energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by these nuclei at different energies have been obtained. In the present calculations, the real part of the optical potential are derived by folding of nucleon-nucleon (NN) interaction into nuclear matter density distribution of the projectile and target nuclei using computer code FRESCO. A density-dependent version of the M3Y interaction (CDM3Y6), which is based on the G-matrix elements of the Paris NN potential, has been used. Volumetric integrals of the real and imaginary potential depth (JR, JW) have been calculated and found to be energy dependent. Good agreement between the experimental data and the theoretical predictions in the whole angular range. In double folding (DF) calculations, the obtained normalization coefficient Nr is in the range 0.70–1.32.

Keywords: elastic scattering, optical model, double folding model, density distribution

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