Search results for: lattice boltzmann method
18947 Mg and MgN₃ Cluster in Diamond: Quantum Mechanical Studies
Authors: T. S. Almutairi, Paul May, Neil Allan
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The geometrical, electronic and magnetic properties of the neutral Mg center and MgN₃ cluster in diamond have been studied theoretically in detail by means of an HSE06 Hamiltonian that includes a fraction of the exact exchange term; this is important for a satisfactory picture of the electronic states of open-shell systems. Another batch of the calculations by GGA functionals have also been included for comparison, and these support the results from HSE06. The local perturbations in the lattice by introduced Mg defect are restricted in the first and second shell of atoms before eliminated. The formation energy calculated with HSE06 and GGA of single Mg agrees with the previous result. We found the triplet state with C₃ᵥ is the ground state of Mg center with energy lower than the singlet with C₂ᵥ by ~ 0.1 eV. The recent experimental ZPL (557.4 nm) of Mg center in diamond has been discussed in the view of present work. The analysis of the band-structure of the MgN₃ cluster confirms that the MgN₃ defect introduces a shallow donor level in the gap lying within the conduction band edge. This observation is supported by the EMM that produces n-type levels shallower than the P donor level. The formation energy of MgN₂ calculated from a 2NV defect (~ 3.6 eV) is a promising value from which to engineer MgN₃ defects inside the diamond. Ion-implantation followed by heating to about 1200-1600°C might induce migration of N related defects to the localized Mg center. Temperature control is needed for this process to restore the damage and ensure the mobilities of V and N, which demands a more precise experimental study.Keywords: empirical marker method, generalised gradient approximation, Heyd–Scuseria–Ernzerhof screened hybrid functional, zero phono line
Procedia PDF Downloads 11618946 Synthesis and Characterization of Magnesium and Strontium Doped Sulphate-Hydroxyapatite
Authors: Ammar Z. Alshemary, Yi-Fan Goh, Rafaqat Hussain
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Magnesium (Mg2+), strontium (Sr2+) and sulphate ions (SO42-) were successfully substituted into hydroxyapatite (Ca10-x-y MgxSry(PO4)6-z(SO4)zOH2-z) structure through ion exchange process at cationic and anionic sites. Mg2+and Sr2+ ions concentrations were varied between (0.00-0.10), keeping concentration of SO42- ions at z=0.05. [Mg (NO3)2], [Sr (NO3)2] and (Na2SO4) were used as Mg2+, Sr2+, and SO42- sources respectively. The synthesized white precipitate were subjected to heat treatment at 500ºC and finally characterized by X-ray diffraction (XRD) and Fourier Transform infra-red spectroscopy (FTIR). The results showed that the substitution of Mg2+, Sr2+ and SO42- ions into the HA lattice resulted in an increase in the broadness and reduction of XRD peaks. This confirmed that the crystallinity was reduced due to the substitution of ions. Similarly, FTIR result showed the effect of substitution on phosphate bands as well as exchange of hydroxyl group by SO42- ions to balance the charges on HA surface.Keywords: hydroxyapatite, substitution, characterization, XRD, FTIR
Procedia PDF Downloads 44418945 Constant Order Predictor Corrector Method for the Solution of Modeled Problems of First Order IVPs of ODEs
Authors: A. A. James, A. O. Adesanya, M. R. Odekunle, D. G. Yakubu
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This paper examines the development of one step, five hybrid point method for the solution of first order initial value problems. We adopted the method of collocation and interpolation of power series approximate solution to generate a continuous linear multistep method. The continuous linear multistep method was evaluated at selected grid points to give the discrete linear multistep method. The method was implemented using a constant order predictor of order seven over an overlapping interval. The basic properties of the derived corrector was investigated and found to be zero stable, consistent and convergent. The region of absolute stability was also investigated. The method was tested on some numerical experiments and found to compete favorably with the existing methods.Keywords: interpolation, approximate solution, collocation, differential system, half step, converges, block method, efficiency
Procedia PDF Downloads 33718944 Structural, Electronic and Optical Properties of LiₓNa1-ₓH for Hydrogen Storage
Authors: B. Bahloul
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This study investigates the structural, electronic, and optical properties of LiH and NaH compounds, as well as their ternary mixed crystals LiₓNa1-ₓH, adopting a face-centered cubic structure with space group Fm-3m (number 225). The structural and electronic characteristics are examined using density functional theory (DFT), while empirical methods, specifically the modified Moss relation, are employed for analyzing optical properties. The exchange-correlation potential is determined through the generalized gradient approximation (PBEsol-GGA) within the density functional theory (DFT) framework, utilizing the projected augmented wave pseudopotentials (PAW) approach. The Quantum Espresso code is employed for conducting these calculations. The calculated lattice parameters at equilibrium volume and the bulk modulus for x=0 and x=1 exhibit good agreement with existing literature data. Additionally, the LiₓNa1-ₓH alloys are identified as having a direct band gap.Keywords: DFT, structural, electronic, optical properties
Procedia PDF Downloads 7318943 Development of 3D Particle Method for Calculating Large Deformation of Soils
Authors: Sung-Sik Park, Han Chang, Kyung-Hun Chae, Sae-Byeok Lee
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In this study, a three-dimensional (3D) Particle method without using grid was developed for analyzing large deformation of soils instead of using ordinary finite element method (FEM) or finite difference method (FDM). In the 3D Particle method, the governing equations were discretized by various particle interaction models corresponding to differential operators such as gradient, divergence, and Laplacian. The Mohr-Coulomb failure criterion was incorporated into the 3D Particle method to determine soil failure. The yielding and hardening behavior of soil before failure was also considered by varying viscosity of soil. First of all, an unconfined compression test was carried out and the large deformation following soil yielding or failure was simulated by the developed 3D Particle method. The results were also compared with those of a commercial FEM software PLAXIS 3D. The developed 3D Particle method was able to simulate the 3D large deformation of soils due to soil yielding and calculate the variation of normal and shear stresses following clay deformation.Keywords: particle method, large deformation, soil column, confined compressive stress
Procedia PDF Downloads 57318942 The Implementation of Secton Method for Finding the Root of Interpolation Function
Authors: Nur Rokhman
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A mathematical function gives relationship between the variables composing the function. Interpolation can be viewed as a process of finding mathematical function which goes through some specified points. There are many interpolation methods, namely: Lagrange method, Newton method, Spline method etc. For some specific condition, such as, big amount of interpolation points, the interpolation function can not be written explicitly. This such function consist of computational steps. The solution of equations involving the interpolation function is a problem of solution of non linear equation. Newton method will not work on the interpolation function, for the derivative of the interpolation function cannot be written explicitly. This paper shows the use of Secton method to determine the numerical solution of the function involving the interpolation function. The experiment shows the fact that Secton method works better than Newton method in finding the root of Lagrange interpolation function.Keywords: Secton method, interpolation, non linear function, numerical solution
Procedia PDF Downloads 37918941 Epitaxial Growth of Crystalline Polyaniline on Reduced Graphene Oxide
Authors: D. Majumdar, M. Baskey, S. K. Saha
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Graphene has already been identified as a promising material for future carbon based electronics. To develop graphene technology, the fabrication of a high quality P-N junction is a great challenge. In the present work, we have described a simple and general technique to grow single crystalline polyaniline (PANI) films on graphene sheets using in situ polymerization via the oxidation-reduction of aniline monomer and graphene oxide, respectively, to fabricate a high quality P-N junction, which shows diode-like behavior with a remarkably low turn-on voltage (60 mV) and high rectification ratio (1880:1) up to a voltage of 0.2 Volt. The origin of these superior electronic properties is the preferential growth of a highly crystalline PANI film as well as lattice matching between the d-values [~2.48 Å] of graphene and {120} planes of PANI.Keywords: epitaxial growth, PANI, reduced graphene oxide, rectification ratio
Procedia PDF Downloads 28918940 Copper Complexe Derivative of Chalcone: Synthesis, Characterization, Electrochemical Properties and XRD/Hirschfeld Surface
Authors: Salima Tabti, Amel Djedouani., Djouhra Aggoun, Ismail Warad
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The reaction of copper (II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) lead to a new complexe: Cu(L)₂(DMF)₂. The crystal structure of the Cu(L)₂(DMF)₂ complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexe was investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH₃CN solution, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couple. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces.Keywords: chalcones, cyclic voltametry, X-ray, Hirschfeld surface
Procedia PDF Downloads 6518939 Investigation Studies of WNbMoVTa and WNbMoVTaCr₀.₅Al Refractory High Entropy Alloys as Plasma-Facing Materials
Authors: Burçak Boztemur, Yue Xu, Laima Luo, M. Lütfi Öveçoğlu, Duygu Ağaoğulları
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Tungsten (W) is used chiefly as plasma-facing material. However, it has some problems, such as brittleness after plasma exposure. High-entropy alloys (RHEAs) are a new opportunity for this deficiency. So, the neutron shielding behavior of WNbMoVTa and WNbMoVTaCr₀.₅Al compositions were examined against He⁺ irradiation in this study. The mechanical and irradiation properties of the WNbMoVTa base composition were investigated by adding the Al and Cr elements. The mechanical alloying (MA) for 6 hours was applied to obtain RHEA powders. According to the X-ray diffraction (XRD) method, the body-centered cubic (BCC) phase and NbTa phase with a small amount of WC impurity that comes from vials and balls were determined after 6 h MA. Also, RHEA powders were consolidated with the spark plasma sintering (SPS) method (1500 ºC, 30 MPa, and 10 min). After the SPS method, (Nb,Ta)C and W₂C₀.₈₅ phases were obtained with the decomposition of WC and stearic acid that is added during MA based on XRD results. Also, the BCC phase was obtained for both samples. While the Al₂O₃ phase with a small intensity was seen for the WNbMoVTaCr₀.₅Al sample, the Ta₂VO₆ phase was determined for the base sample. These phases were observed as three different regions according to scanning electron microscopy (SEM). All elements were distributed homogeneously on the white region by measuring an electron probe micro-analyzer (EPMA) coupled with a wavelength dispersive spectroscope (WDS). Also, the grey region of the WNbMoVTa sample was rich in Ta, V, and O elements. However, the amount of Al and O elements was higher for the grey region of the WNbMoVTaCr₀.₅Al sample. The high amount of Nb, Ta, and C elements were determined for both samples. Archimedes’ densities that were measured with alcohol media were closer to the theoretical densities of RHEAs. These values were important for the microhardness and irradiation resistance of compositions. While the Vickers microhardness value of the WNbMoVTa sample was measured as ~11 GPa, this value increased to nearly 13 GPa with the WNbMoVTaCr₀.₅Al sample. These values were compatible with the wear behavior. The wear volume loss was decreased to 0.16×10⁻⁴ from 1.25×10⁻⁴ mm³ by the addition of Al and Cr elements to the WNbMoVTa. The He⁺ irradiation was conducted on the samples to observe surface damage. After irradiation, the XRD patterns were shifted to the left because of defects and dislocations. He⁺ ions were infused under the surface, so they created the lattice expansion. The peak shifting of the WNbMoVTaCr₀.₅Al sample was less than the WNbMoVTa base sample, thanks to less impact. A small amount of fuzz was observed for the base sample. This structure was removed and transformed into a wavy structure with the addition of Cr and Al elements. Also, the deformation hardening was actualized after irradiation. A lower amount of hardening was obtained with the WNbMoVTaCr₀.₅Al sample based on the changing microhardness values. The surface deformation was decreased in the WNbMoVTaCr₀.₅Al sample.Keywords: refractory high entropy alloy, microhardness, wear resistance, He⁺ irradiation
Procedia PDF Downloads 6518938 Ductility Spectrum Method for the Design and Verification of Structures
Authors: B. Chikh, L. Moussa, H. Bechtoula, Y. Mehani, A. Zerzour
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This study presents a new method, applicable to evaluation and design of structures has been developed and illustrated by comparison with the capacity spectrum method (CSM, ATC-40). This method uses inelastic spectra and gives peak responses consistent with those obtained when using the nonlinear time history analysis. Hereafter, the seismic demands assessment method is called in this paper DSM, Ductility Spectrum Method. It is used to estimate the seismic deformation of Single-Degree-Of-Freedom (SDOF) systems based on DDRS, Ductility Demand Response Spectrum, developed by the author.Keywords: seismic demand, capacity, inelastic spectra, design and structure
Procedia PDF Downloads 39718937 The Collapse of a Crane on Site: A Case Study
Authors: T. Teruzzi, S. Antonietti, C. Mosca, C. Paglia
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This paper discusses the causes of the structural failure in a tower crane. The structural collapse occurred at the upper joints of the extension element used to increase the height of the crane. The extension element consists of a steel lattice structure made with angular profiles and plates joined to the tower element by arc welding. Macroscopic inspection of the sections showed that the break was always observed on the angular profiles at the weld bead edge. The case study shows how, using mechanical characterization, chemical analysis of the steel and macroscopic and microscopic metallographic examinations, it was possible to obtain significant evidence that identified the mechanism causing the breakage. The analyses identified the causes of the structural failure as the use of materials that were not suitable for welding and poor performance in the welding joints.Keywords: failure, metals, weld, microstructure
Procedia PDF Downloads 12618936 Design and Study of a Wind-Solar Hybrid System for Lighting Application
Authors: Nikhil V. Nayak, P. P. Revankar, M. B. Gorawar
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Wind energy has been shown to be one of the most viable sources of renewable energy. With current technology, the low cost of wind energy is competitive with more conventional sources of energy such as coal. Most airfoil blades available for commercial grade wind turbines incorporate a straight span-wise profile and airfoil shaped cross sections. This paper is aimed at studying and designing a wind-solar hybrid system for light load application. The tools like qblade and solidworks are used to model and analyze the wind turbine system, the material used for the blade and hub is balsa wood and the tower a lattice type. The expected power output is 100 W for an average wind speed of 4.5 m/s.Keywords: renewable energy, hybrid, airfoil blades, wind speeds, make-in-india, camber, QBlade, solidworks, balsa wood
Procedia PDF Downloads 31018935 Modeling of Turbulent Flow for Two-Dimensional Backward-Facing Step Flow
Authors: Alex Fedoseyev
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This study investigates a generalized hydrodynamic equation (GHE) simplified model for the simulation of turbulent flow over a two-dimensional backward-facing step (BFS) at Reynolds number Re=132000. The GHE were derived from the generalized Boltzmann equation (GBE). GBE was obtained by first principles from the chain of Bogolubov kinetic equations and considers particles of finite dimensions. The GHE has additional terms, temporal and spatial fluctuations, compared to the Navier-Stokes equations (NSE). These terms have a timescale multiplier τ, and the GHE becomes the NSE when $\tau$ is zero. The nondimensional τ is a product of the Reynolds number and the squared length scale ratio, τ=Re*(l/L)², where l is the apparent Kolmogorov length scale, and L is a hydrodynamic length scale. The BFS flow modeling results obtained by 2D calculations cannot match the experimental data for Re>450. One or two additional equations are required for the turbulence model to be added to the NSE, which typically has two to five parameters to be tuned for specific problems. It is shown that the GHE does not require an additional turbulence model, whereas the turbulent velocity results are in good agreement with the experimental results. A review of several studies on the simulation of flow over the BFS from 1980 to 2023 is provided. Most of these studies used different turbulence models when Re>1000. In this study, the 2D turbulent flow over a BFS with height H=L/3 (where L is the channel height) at Reynolds number Re=132000 was investigated using numerical solutions of the GHE (by a finite-element method) and compared to the solutions from the Navier-Stokes equations, k–ε turbulence model, and experimental results. The comparison included the velocity profiles at X/L=5.33 (near the end of the recirculation zone, available from the experiment), recirculation zone length, and velocity flow field. The mean velocity of NSE was obtained by averaging the solution over the number of time steps. The solution with a standard k −ε model shows a velocity profile at X/L=5.33, which has no backward flow. A standard k−ε model underpredicts the experimental recirculation zone length X/L=7.0∓0.5 by a substantial amount of 20-25%, and a more sophisticated turbulence model is needed for this problem. The obtained data confirm that the GHE results are in good agreement with the experimental results for turbulent flow over two-dimensional BFS. A turbulence model was not required in this case. The computations were stable. The solution time for the GHE is the same or less than that for the NSE and significantly less than that for the NSE with the turbulence model. The proposed approach was limited to 2D and only one Reynolds number. Further work will extend this approach to 3D flow and a higher Re.Keywords: backward-facing step, comparison with experimental data, generalized hydrodynamic equations, separation, reattachment, turbulent flow
Procedia PDF Downloads 6118934 Top-Down Construction Method in Concrete Structures: Advantages and Disadvantages of This Construction Method
Authors: Hadi Rouhi Belvirdi
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The construction of underground structures using the traditional method, which begins with excavation and the implementation of the foundation of the underground structure, continues with the construction of the main structure from the ground up, and concludes with the completion of the final ceiling, is known as the Bottom-Up Method. In contrast to this method, there is an advanced technique called the Top-Down Method, which has practically replaced the traditional construction method in large projects in industrialized countries in recent years. Unlike the traditional approach, this method starts with the construction of surrounding walls, columns, and the final ceiling and is completed with the excavation and construction of the foundation of the underground structure. Some of the most significant advantages of this method include the elimination or minimization of formwork surfaces, the removal of temporary bracing during excavation, the creation of some traffic facilities during the construction of the structure, and the possibility of using it in limited and high-traffic urban spaces. Despite these numerous advantages, unfortunately, there is still insufficient awareness of this method in our country, to the extent that it can be confidently stated that most stakeholders in the construction industry are unaware of the existence of such a construction method. However, it can be utilized as a very important execution option alongside other conventional methods in the construction of underground structures. Therefore, due to the extensive practical capabilities of this method, this article aims to present a methodology for constructing underground structures based on the aforementioned advanced method to the scientific community of the country, examine the advantages and limitations of this method and their impacts on time and costs, and discuss its application in urban spaces. Finally, some underground structures executed in the Ahvaz urban rail, which are being implemented using this advanced method to the best of our best knowledge, will be introduced.Keywords: top-down method, bottom-up method, underground structure, construction method
Procedia PDF Downloads 1518933 Spectroscopic Study of Tb³⁺ Doped Calcium Aluminozincate Phosphor for Display and Solid-State Lighting Applications
Authors: Sumandeep Kaur, Allam Srinivasa Rao, Mula Jayasimhadri
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In recent years, rare earth (RE) ions doped inorganic luminescent materials are seeking great attention due to their excellent physical and chemical properties. These materials offer high thermal and chemical stability and exhibit good luminescence properties due to the presence of RE ions. The luminescent properties of these materials are attributed to their intra-configurational f-f transitions in RE ions. A series of Tb³⁺ doped calcium aluminozincate has been synthesized via sol-gel method. The structural and morphological studies have been carried out by recording X-ray diffraction patterns and SEM image. The luminescent spectra have been recorded for a comprehensive study of their luminescence properties. The XRD profile reveals the single-phase orthorhombic crystal structure with an average crystallite size of 65 nm as calculated by using DebyeScherrer equation. The SEM image exhibits completely random, irregular morphology of micron size particles of the prepared samples. The optimization of luminescence has been carried out by varying the dopant Tb³⁺ concentration within the range from 0.5 to 2.0 mol%. The as-synthesized phosphors exhibit intense emission at 544 nm pumped at 478 nm excitation wavelength. The optimized Tb³⁺ concentration has been found to be 1.0 mol% in the present host lattice. The decay curves show bi-exponential fitting for the as-synthesized phosphor. The colorimetric studies show green emission with CIE coordinates (0.334, 0.647) lying in green region for the optimized Tb³⁺ concentration. This report reveals the potential utility of Tb³⁺ doped calcium aluminozincate phosphors for display and solid-state lighting devices.Keywords: concentration quenching, phosphor, photoluminescence, XRD
Procedia PDF Downloads 15518932 Stating Best Commercialization Method: An Unanswered Question from Scholars and Practitioners
Authors: Saheed A. Gbadegeshin
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Commercialization method is a means to make inventions available at the market for final consumption. It is described as an important tool for keeping business enterprises sustainable and improving national economic growth. Thus, there are several scholarly publications on it, either presenting or testing different methods for commercialization. However, young entrepreneurs, technologists and scientists would like to know the best method to commercialize their innovations. Then, this question arises: What is the best commercialization method? To answer the question, a systematic literature review was conducted, and practitioners were interviewed. The literary results revealed that there are many methods but new methods are needed to improve commercialization especially during these times of economic crisis and political uncertainty. Similarly, the empirical results showed there are several methods, but the best method is the one that reduces costs, reduces the risks associated with uncertainty, and improves customer participation and acceptability. Therefore, it was concluded that new commercialization method is essential for today's high technologies and a method was presented.Keywords: commercialization method, technology, knowledge, intellectual property, innovation, invention
Procedia PDF Downloads 34318931 Critical Comparison of Two Teaching Methods: The Grammar Translation Method and the Communicative Teaching Method
Authors: Aicha Zohbie
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The purpose of this paper is to critically compare two teaching methods: the communicative method and the grammar-translation method. The paper presents the importance of language awareness as an approach to teaching and learning language and some challenges that language teachers face. In addition, the paper strives to determine whether the adoption of communicative teaching methods or the grammar teaching method would be more effective to teach a language. A variety of features are considered for comparing the two methods: the purpose of each method, techniques used, teachers’ and students’ roles, the use of L1, the skills that are emphasized, the correction of students’ errors, and the students’ assessments. Finally, the paper includes suggestions and recommendations for implementing an approach that best meets the students’ needs in a classroom.Keywords: language teaching methods, language awareness, communicative method grammar translation method, advantages and disadvantages
Procedia PDF Downloads 15318930 Numerical Iteration Method to Find New Formulas for Nonlinear Equations
Authors: Kholod Mohammad Abualnaja
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A new algorithm is presented to find some new iterative methods for solving nonlinear equations F(x)=0 by using the variational iteration method. The efficiency of the considered method is illustrated by example. The results show that the proposed iteration technique, without linearization or small perturbation, is very effective and convenient.Keywords: variational iteration method, nonlinear equations, Lagrange multiplier, algorithms
Procedia PDF Downloads 54518929 Comparison of Finite-Element and IEC Methods for Cable Thermal Analysis under Various Operating Environments
Authors: M. S. Baazzim, M. S. Al-Saud, M. A. El-Kady
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In this paper, steady-state ampacity (current carrying capacity) evaluation of underground power cable system by using analytical and numerical methods for different conditions (depth of cable, spacing between phases, soil thermal resistivity, ambient temperature, wind speed), for two system voltage level were used 132 and 380 kV. The analytical method or traditional method that was used is based on the thermal analysis method developed by Neher-McGrath and further enhanced by International Electrotechnical Commission (IEC) and published in standard IEC 60287. The numerical method that was used is finite element method and it was recourse commercial software based on finite element method.Keywords: cable ampacity, finite element method, underground cable, thermal rating
Procedia PDF Downloads 37918928 Multistage Adomian Decomposition Method for Solving Linear and Non-Linear Stiff System of Ordinary Differential Equations
Authors: M. S. H. Chowdhury, Ishak Hashim
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In this paper, linear and non-linear stiff systems of ordinary differential equations are solved by the classical Adomian decomposition method (ADM) and the multi-stage Adomian decomposition method (MADM). The MADM is a technique adapted from the standard Adomian decomposition method (ADM) where standard ADM is converted into a hybrid numeric-analytic method called the multistage ADM (MADM). The MADM is tested for several examples. Comparisons with an explicit Runge-Kutta-type method (RK) and the classical ADM demonstrate the limitations of ADM and promising capability of the MADM for solving stiff initial value problems (IVPs).Keywords: stiff system of ODEs, Runge-Kutta Type Method, Adomian decomposition method, Multistage ADM
Procedia PDF Downloads 43818927 A Method for Measurement and Evaluation of Drape of Textiles
Authors: L. Fridrichova, R. Knížek, V. Bajzík
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Drape is one of the important visual characteristics of the fabric. This paper is introducing an innovative method of measurement and evaluation of the drape shape of the fabric. The measuring principle is based on the possibility of multiple vertical strain of the fabric. This method more accurately simulates the real behavior of the fabric in the process of draping. The method is fully automated, so the sample can be measured by using any number of cycles in any time horizon. Using the present method of measurement, we are able to describe the viscoelastic behavior of the fabric.Keywords: drape, drape shape, automated drapemeter, fabric
Procedia PDF Downloads 65718926 First-Principles Study of Xnmg3 (X=P, As, Sb, Bi) Antiperovskite Compounds
Authors: Kadda Amara, Mohammed Elkeurti, Mostefa Zemouli, Yassine Benallou
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In this work, we present a study of the structural, elastic and electronic properties of the cubic antiperovskites XNMg3 (X=P, As, Sb and Bi) using the full-potential augmented plane wave plus local orbital (FP-LAPW+lo) within the Generalized Gradient Approximation based on PBEsol, Perdew 2008 functional. We determined the lattice parameters, the bulk modulus B and their pressure derivative B'. In addition, the elastic properties such as elastic constants (C11, C12 and C44), the shear modulus G, the Young modulus E, the Poisson's ratio ν and the B/G ratio are also given. For the band structure, density of states and charge density the exchange and correlation effects were treated by the Tran-Blaha modified Becke-Johnson potential to prevent the shortcoming of the underestimation of the energy gaps in both LDA and GGA approximations. The obtained results are compared to available experimental data and to other theoretical calculations.Keywords: XNMg3 compounds, GGA-PBEsol, TB-mBJ, elastic properties, electronic properties
Procedia PDF Downloads 40918925 Classification on Statistical Distributions of a Complex N-Body System
Authors: David C. Ni
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Contemporary models for N-body systems are based on temporal, two-body, and mass point representation of Newtonian mechanics. Other mainstream models include 2D and 3D Ising models based on local neighborhood the lattice structures. In Quantum mechanics, the theories of collective modes are for superconductivity and for the long-range quantum entanglement. However, these models are still mainly for the specific phenomena with a set of designated parameters. We are therefore motivated to develop a new construction directly from the complex-variable N-body systems based on the extended Blaschke functions (EBF), which represent a non-temporal and nonlinear extension of Lorentz transformation on the complex plane – the normalized momentum spaces. A point on the complex plane represents a normalized state of particle momentums observed from a reference frame in the theory of special relativity. There are only two key parameters, normalized momentum and nonlinearity for modelling. An algorithm similar to Jenkins-Traub method is adopted for solving EBF iteratively. Through iteration, the solution sets show a form of σ + i [-t, t], where σ and t are the real numbers, and the [-t, t] shows various distributions, such as 1-peak, 2-peak, and 3-peak etc. distributions and some of them are analog to the canonical distributions. The results of the numerical analysis demonstrate continuum-to-discreteness transitions, evolutional invariance of distributions, phase transitions with conjugate symmetry, etc., which manifest the construction as a potential candidate for the unification of statistics. We hereby classify the observed distributions on the finite convergent domains. Continuous and discrete distributions both exist and are predictable for given partitions in different regions of parameter-pair. We further compare these distributions with canonical distributions and address the impacts on the existing applications.Keywords: blaschke, lorentz transformation, complex variables, continuous, discrete, canonical, classification
Procedia PDF Downloads 31118924 Zero-Dissipative Explicit Runge-Kutta Method for Periodic Initial Value Problems
Authors: N. Senu, I. A. Kasim, F. Ismail, N. Bachok
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In this paper zero-dissipative explicit Runge-Kutta method is derived for solving second-order ordinary differential equations with periodical solutions. The phase-lag and dissipation properties for Runge-Kutta (RK) method are also discussed. The new method has algebraic order three with dissipation of order infinity. The numerical results for the new method are compared with existing method when solving the second-order differential equations with periodic solutions using constant step size.Keywords: dissipation, oscillatory solutions, phase-lag, Runge-Kutta methods
Procedia PDF Downloads 41118923 Electronic and Optical Properties of Li₂S Antifluorite Material
Authors: Brahim Bahloul, Khatir Babesse, Azzedine Dkhira, Yacine Bahloul, Dalila Hammoutene
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In this paper, we investigate with ab initio calculations some structural and optoelectronic properties of Li₂S compound. The structural and electronic properties of the Li₂S antifluorite structure have been studied by first-principles calculations within the density functional theory (DFT), whereas the optical properties have been obtained using empirical relationships such as the modified Moss relation. Our calculated lattice parameters are in good agreement with the experimental data and other theoretical calculations. The electronic band structures and density of states were obtained. The anti-fluorite Li₂S present an indirect band gap of 3.388 eV at equilibrium. The top of the valence bands reflects the p electronic character for both structures. The calculated energy gaps and optical constants are in good agreement with experimental measurements.Keywords: Ab initio calculations, antifluorite, electronic properties, optical properties
Procedia PDF Downloads 29018922 Reflection on Using Bar Model Method in Learning and Teaching Primary Mathematics: A Hong Kong Case Study
Authors: Chui Ka Shing
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This case study research attempts to examine the use of the Bar Model Method approach in learning and teaching mathematics in a primary school in Hong Kong. The objectives of the study are to find out to what extent (a) the Bar Model Method approach enhances the construction of students’ mathematics concepts, and (b) the school-based mathematics curriculum development with adopting the Bar Model Method approach. This case study illuminates the effectiveness of using the Bar Model Method to solve mathematics problems from Primary 1 to Primary 6. Some effective pedagogies and assessments were developed to strengthen the use of the Bar Model Method across year levels. Suggestions including school-based curriculum development for using Bar Model Method and further study were discussed.Keywords: bar model method, curriculum development, mathematics education, problem solving
Procedia PDF Downloads 22118921 The Effect of Deformation Activation Volume, Strain Rate Sensitivity and Processing Temperature of Grain Size Variants
Authors: P. B. Sob, A. A. Alugongo, T. B. Tengen
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The activation volume of 6082T6 aluminum is investigated at different temperatures on grain size variants. The deformation activation volume was computed on the basis of the relationship between the Boltzmann’s constant k, the testing temperatures, the material strain rate sensitivity and the material yield stress of grain size variants. The material strain rate sensitivity is computed as a function of yield stress and strain rate of grain size variants. The effect of the material strain rate sensitivity and the deformation activation volume of 6082T6 aluminum at different temperatures of 3-D grain are discussed. It is shown that the strain rate sensitivities and activation volume are negative for the grain size variants during the deformation of nanostructured materials. It is also observed that the activation volume vary in different ways with the equivalent radius, semi minor axis radius, semi major axis radius and major axis radius. From the obtained results it is shown that the variation of activation volume increased and decreased with the testing temperature. It was revealed that, increased in strain rate sensitivity led to decrease in activation volume whereas increased in activation volume led to decrease in strain rate sensitivity.Keywords: nanostructured materials, grain size variants, temperature, yield stress, strain rate sensitivity, activation volume
Procedia PDF Downloads 25118920 SEM and FTIR Study of Adsorption Characteristics Using Xanthate (KIBX) Synthesized Collectors on Sphalerite
Authors: Zohir Nedjar, Djamel Barkat
Abstract:
Thiols such as alkyl xanthates are commonly used as collectors in the froth flotation of sulfide minerals. Under the concen-tration, pH and Eh conditions relevant to flotation, the thermodynamically favoured reaction between a thiol and a sulfide mineral surface is charge transfechemisorption in which the collector becomes bonded to metal atoms in the outermost layer of the sulfide lattice. The adsorption of potassium isobutyl xanthate (KIBX 3.10-3M) on sphalerite has been also studied using electrochemical potential, FTIR technique and SEM. Non activated minerals and minerals activated with copper sulfate (10-4 M) and copper nitrate (10-4 M) have been investigated at pH = 7.5. Surface species have been identified by FTIR and correlated with SEM. After copper sulfate activation, copper xanthate exists on all of the minerals studied. Neutral pH is most favorable for potassium isobutyl xanthate adsorption on sphalerite.Keywords: flotation, adsorption, xanthate KIBX, sphalerite
Procedia PDF Downloads 30918919 An Analytical Method for Bending Rectangular Plates with All Edges Clamped Supported
Authors: Yang Zhong, Heng Liu
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The decoupling method and the modified Naiver method are combined for accurate bending analysis of rectangular thick plates with all edges clamped supported. The basic governing equations for Mindlin plates are first decoupled into independent partial differential equations which can be solved separately. Using modified Navier method, the analytic solution of rectangular thick plate with all edges clamped supported is then derived. The solution method used in this paper leave out the complicated derivation for calculating coefficients and obtain the solution to problems directly. Numerical comparisons show the correctness and accuracy of the results at last.Keywords: Mindlin plates, decoupling method, modified Navier method, bending rectangular plates
Procedia PDF Downloads 60218918 Modern Methods of Technology and Organization of Production of Construction Works during the Implementation of Construction 3D Printers
Authors: Azizakhanim Maharramli
Abstract:
The gradual transition from entrenched traditional technology and organization of construction production to innovative additive construction technology inevitably meets technological, technical, organizational, labour, and, finally, social difficulties. Therefore, the chosen nodal method will lead to the elimination of the above difficulties, combining some of the usual methods of construction and the myth in world practice that the labour force is subjected to a strong stream of reduction. The nodal method of additive technology will create favourable conditions for the optimal degree of distribution of labour across facilities due to the consistent performance of homogeneous work and the introduction of additive technology and traditional technology into construction production.Keywords: parallel method, sequential method, stream method, combined method, nodal method
Procedia PDF Downloads 95