Search results for: Rietveld refinement

Authors: Xiaopeng Shang, Xin YU, Jun CHANG

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Calcium barium sulphoaluminate (CBSA), derived from calcium sulphoaluminate(CSA), has excellent cementitious properties. In this study, the sintering system of CBSA with a theoretical stoichiometric Ca3BaAl6SO16 was investigated. Rietveld refinement was performed using TOPAS 4.2 software to quantitatively calculate the content of CBSA and the actual ionic site occupancy of Ba2+. The results indicate that the contents of Ca4-xBaxAl6SO16 increases with increasing sintering temperature in the 1200℃-1400℃ ranges. When sintered at 1400℃ for 180min, the content of CBSA reaches 88.4%. However, CBSA begins to decompose at 1440℃ and the content of which decreases. The replacement rate of Ba2+ was also enlarged by increasing sintering temperature and prolonged sintering time. Sintering at 1400℃ for 180min is considered as the optimum when replacement rate of Ba2+ and the content of CBSA were taken into account. Ca3.2Ba0.8Al6SO16 with a content of 88.4% was synthesized.

Keywords: calcium barium sulphoaluminate, sintering system, Ba2+ replacement rate, Rietveld refinement

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Authors: Karthika Chandran, Pulkit Prakash, Amitabh Das, Santhosh P. N.

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Rare earth orthoferrites (RFeO₃) exhibit interesting and useful magnetic properties like multiferroicity, magnetodielectric coupling, spin reorientation (SR) and exchange bias. B site doped RFeO₃ are attracting attention due to the complex and tuneable magnetic transitions. In this work, 45% Mn-doped HoFeO₃ polycrystalline sample (HoFe₀.₅₅Mn₀.₄₅O₃) was synthesized by a solid-state reaction method. The magnetic structure and transitions were studied by magnetization measurements and neutron powder diffraction methods. The neutron diffraction patterns were taken at 13 different temperatures from 7°K to 300°K (7°K and 25°K to 300°K in 25°K intervals). The Rietveld refinement was carried out by using a FULLPROF suite. The magnetic space groups and the irreducible representations were obtained by SARAh module. The room temperature neutron diffraction refinement results indicate that the sample crystallizes in an orthorhombic perovskite structure with Pnma space group with lattice parameters a = 5.6626(3) Ǻ, b = 7.5241(3) Ǻ and c = 5.2704(2) Ǻ. The temperature dependent magnetization (M-T) studies indicate the presence of two magnetic transitions in the system ( TN Fe/Mn~330°K and TSR Fe/Mn ~290°K). The inverse susceptibility vs. temperature curve shows a linear behavior above 330°K. The Curie-Weiss fit in this region gives negative Curie constant (-34.9°K) indicating the antiferromagnetic nature of the transition. The neutron diffraction refinement results indicate the presence of mixed magnetic phases Γ₄(AₓFᵧG

Keywords: neutron powder diffraction, rare earth orthoferrites, Rietveld analysis, spin reorientation

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Authors: Kausar Harun, Ahmad Azmin Mohamad

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Zinc oxide (ZnO) has been extensively used in optoelectronic devices, with recent interest as photoanode material in dye-sensitize solar cell. Numerous methods employed to experimentally synthesized ZnO, while some are theoretically-modeled. Both approaches provide information on ZnO properties, but theoretical calculation proved to be more accurate and timely effective. Thus, integration between these two methods is essential to intimately resemble the properties of synthesized ZnO. In this study, experimentally-grown ZnO nanoparticles were prepared by sol-gel storage method with zinc acetate dihydrate and methanol as precursor and solvent. A 1 M sodium hydroxide (NaOH) solution was used as stabilizer. The optimum time to produce ZnO nanoparticles were recorded as 12 hours. Phase and structural analysis showed that single phase ZnO produced with wurtzite hexagonal structure. Further work on quantitative analysis was done via Rietveld-refinement method to obtain structural and crystallite parameter such as lattice dimensions, space group, and atomic coordination. The lattice dimensions were a=b=3.2498Å and c=5.2068Å which were later used as main input in first-principles calculations. By applying density-functional theory (DFT) embedded in CASTEP computer code, the structure of synthesized ZnO was built and optimized using several exchange-correlation functionals. The generalized-gradient approximation functional with Perdew-Burke-Ernzerhof and Hubbard U corrections (GGA-PBE+U) showed the structure with lowest energy and lattice deviations. In this study, emphasize also given to the modification of valence electron energy level to overcome the underestimation in DFT calculation. Both Zn and O valance energy were fixed at Ud=8.3 eV and Up=7.3 eV, respectively. Hence, the following electronic and optical properties of synthesized ZnO were calculated based on GGA-PBE+U functional within ultrasoft-pseudopotential method. In conclusion, the incorporation of Rietveld analysis into first-principles calculation was valid as the resulting properties were comparable with those reported in literature. The time taken to evaluate certain properties via physical testing was then eliminated as the simulation could be done through computational method.

Keywords: density functional theory, first-principles, Rietveld-refinement, ZnO nanoparticles

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Authors: Essebti Dhahri

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We present a new refrigerant La₀.₇Ca₀.₁₅Sr₀.₁₅Mn₁₋ₓGaₓO₃ (x = 0.0-0.1) manganites. These compounds were prepared by the sol-gel method. The refinement of the X-ray diffraction reveals that all samples crystallize in a rhombohedral structure (space group R3 ̅c). Detailed measurements of the magnetization as a function of temperature and magnetic applied field M (µ₀H, T) were carried out. From the M(µ₀H, T) curves, we have calculated the magnetic entropy change (ΔSM) according to the Maxwell relation. The temperature dependence of the magnetization M(T) reveals a decrease of M when increasing the x content. The magnetic entropy change (ΔSM) reaches a maximum value near room temperature. It was also found that this compound exhibits a large magnetocaloric effect MCE which increases when decreasing Ga concentration. So, the studied compounds could be considered potential materials for magnetic refrigeration application.

Keywords: magnetic measurements, Rietveld refinement, magnetic refrigeration, magnetocaloric effect

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Authors: Mohammed Mesrar, Hamza El Malki, Hamza Mesrar

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In this study, ceramics of (1-x)(Na0.5Bi0.5)TiO3 x(K0.5 Bi0.5)TiO3 were synthesized through a conventional calcination process (solid-state method) at 1000°C for 4 hours, with x(%) values ranging from 0.0 to 100. Room temperature XRD patterns confirmed the phase formation of the samples. The Rietveld refinement method was employed to verify the morphotropic phase boundary (MPB) at x(%)=16-20. We investigated the average crystallite size and lattice strain using Scherrer's formula and Williamson-Hall (W-H) analysis. SEM image analyses provided additional evidence of the impact of doping on structural growth under low temperatures. Relaxation time extracted from Z″(f) and M″(f) spectra for x(%) = 0.0, 12, 16, 20, and 30 followed the Arrhenius law, revealing the presence of three distinct relaxation mechanisms with varying activation energies. The shoulder response in M″(f) indirectly indicated the existence of highly polarizable entities in the samples, serving as a signature of polar nanoregions (PNRs) within the grains.In this study, ceramics of (1-x)(Na0.5Bi0.5)TiO3 x(K0.5 Bi0.5)TiO3 were synthesized through a conventional calcination process (solid-state method) at 1000°C for 4 hours, with x(%) values ranging from 0.0 to 100. Room temperature XRD patterns confirmed the phase formation of the samples. The Rietveld refinement method was employed to verify the morphotropic phase boundary (MPB) at x(%)=16-20. We investigated the average crystallite size and lattice strain using Scherrer's formula and Williamson-Hall (W-H) analysis. SEM image analyses provided additional evidence of the impact of doping on structural growth under low temperatures. Relaxation time extracted from Z″(f) and M″(f) spectra for x(%) = 0.0, 12, 16, 20, and 30 followed the Arrhenius law, revealing the presence of three distinct relaxation mechanisms with varying activation energies. The shoulder response in M″(f) indirectly indicated the existence of highly polarizable entities in the samples, serving as a signature of polar nanoregions (PNRs) within the grains.

Keywords: (1-x)(Na0.5Bi0.5)TiO3 x(K0.5 Bi0.5)TiO3, Rietveld refinement, Scanning electron microscopy (SEM), Williamson-Hall plots, charge density distribution, dielectric properties

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Authors: E. A. Asabina, V. I. Pet'kov, P. A. Mayorov, A. V. Markin, N. N. Smirnova, A. M. Kovalskii, A. A. Usenko

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The purpose of this work was to synthesize and investigate phase formation, structure and thermophysical properties of the phosphates M_0.5+xM'_xZr_2–x(PO₄)₃ (M – Cd, Sr, Pb; M' – Mg, Co, Mn). The compounds were synthesized by sol-gel method. The results showed formation of limited solid solutions of NZP/NASICON type. The crystal structures of triple phosphates of the compositions MMg_0.5Zr_1.5(PO₄)₃ were refined by the Rietveld method using XRD data. Heat capacity (8–660 K) of the phosphates Pb_0.5+xMg_xZr_2-x(PO₄)₃ (x = 0, 0.5) was measured, and reversible polymorphic transitions were found at temperatures, close to the room temperature. The results of Rietveld structure refinement showed the polymorphism caused by disordering of lead cations in the cavities of NZP/NASICON structure. Thermal expansion (298−1073 K) of the phosphates MMg_0.5Zr_1.5(PO₄)₃ was studied by XRD method, and the compounds were found to belong to middle and low-expanding materials. Thermal diffusivity (298–573 K) of the ceramic samples of phosphates slightly decreased with temperature increasing. As was demonstrated, the studied phosphates are characterized by the better thermophysical characteristics than widespread fire-resistant materials, such as zirconia and etc.

Keywords: NASICON, NZP, phosphate, structure, synthesis, thermophysical properties

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Authors: Jonali Baruah, Keesha Green

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This experimental study examines the effects of anonymity in video meeting groups across the stages of innovation (idea generation, selection, and refinement) on various measures of creativity. A sample of 92 undergraduate students participated in small groups of three to four members to complete creativity, decision-making, and idea-refinement task in either anonymous or identified conditions. The study followed two anonymity (anonymous and identified) X 3 stages of innovation (idea generation, idea selection, and idea refinement) in a mixed factorial design. Results revealed that the anonymous groups produced ideas of the highest average quality in the refinement phase of innovation. The results of this study enhanced our understanding of the productivity and creativity of groups in computer-mediated communication.

Keywords: creativity, anonymity, idea-generation, idea-refinement, innovation

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Authors: C. Bunsanit

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This paper presents the refinement method for two beams formation of wideband smart antenna. The refinement method for weighting coefficients is based on Fully Spatial Signal Processing by taking Inverse Discrete Fourier Transform (IDFT), and its simulation results are presented using MATLAB. The radiation pattern is created by multiplying the incoming signal with real weights and then summing them together. These real weighting coefficients are computed by IDFT method; however, the range of weight values is relatively wide. Therefore, for reducing this range, the refinement method is used. The radiation pattern concerns with five input parameters to control. These parameters are maximum weighting coefficient, wideband signal, direction of mainbeam, beamwidth, and maximum of minor lobe level. Comparison of the obtained simulation results between using refinement method and taking only IDFT shows that the refinement method works well for wideband two beams formation.

Keywords: fully spatial signal processing, beam forming, refinement method, smart antenna, weighting coefficient, wideband

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Authors: V. Geza, J. Vencels, G. Zageris, S. Pavlovs

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One of the most perspective methods to produce SoG-Si is refinement via metallurgical route. The most critical part of this route is refinement from boron and phosphorus. Therefore, a new approach could address this problem. We propose an approach of creating surface waves on silicon melt’s surface in order to enlarge its area and accelerate removal of boron via chemical reactions and evaporation of phosphorus. A two dimensional numerical model is created which includes coupling of electromagnetic and fluid dynamic simulations with free surface dynamics. First results show behaviour similar to experimental results from literature.

Keywords: numerical modelling, silicon refinement, surface waves, VOF method

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Authors: Thomas Smith

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Many hackers worldwide would agree that, had it not been for linear-time theory, the refinement of Byzantine fault tolerance might never have occurred. After years of significant research into extreme programming, we validate the refinement of simulated annealing. Maw, our new framework for unstable theory, is the solution to all of these issues.

Keywords: distributed, software engineering, DNS, DHCP

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Authors: Young-Ok Yoon, Su-Yeon Lee, Seong-Ho Ha, Gil-Yong Yeom, Bong-Hwan Kim, Hyun-Kyu Lim, Shae K. Kim

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Al-7Si-0.4Mg alloy (designated A356) is widely used in the automotive and aerospace industries as structural components due to an excellent combination of castability and mechanical properties. Grain refinement has a significant effect on the mechanical properties of castings, mainly since the distribution of secondary phase is changed. As a grain refiner, the Al-Ti-B master alloys containing TiAl3 and TiB2 particles have been widely used in Al foundries. The Mg loss and Mg based inclusion formation by the strong affinity of Mg to oxygen in the melting process of Mg contained alloys have been an issue. This can be significantly improved only by Mg+Al2Ca master alloy as an alloying element instead of pure Mg. Moreover, the eutectic Si modification and grain refinement is simultaneously obtained because Al2Ca behaves as Ca, a typical Si modifier. The present study is focused on the combined effects of Mg+Al2Ca and Al-Ti-B master alloys on the grain refiment of Al-7Si-0.4Mg alloy and their proper ratio for the optimum effect. The aim of this study, therefore, is to investigate the change of the microstructure in Al-7Si-0.4Mg alloy with different ratios of Ti and Al2Ca (detected Ca content) and their effects on the tensile property. The distribution and morphology of the secondary phases by the grain refinement will be discussed.

Keywords: Al-7Si-0.4Mg alloy, Al2Ca, Al-Ti-B alloy, grain refinement

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Authors: A. Selmi, A. Bettaibi, H. Rahmouni, R. M’nassri, N. Chniba Boudjada, A. Chiekhrouhou, K. Khirouni

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Investigation of magnetic and magnetocaloric properties of Pr₀.₇Ca₀.₃Mn₀.₉M₀.₁O₃ perovskite manganites (M=Cr and Ni) has been carried out. Our compounds were prepared by the conventional solid-state reaction method at high temperatures. Rietveld refinement of X-ray diffraction pattern using FULLPROF method shows that all compounds adopt the orthorhombic structure with Pnma space group. The partial substitution of Mn-site drives the system from charge order state to ferromagnetic one with a Curie temperature T𝒸=150K, 118k and 116K for M=Cr and Ni, respectively. Magnetization measurements versus temperature in a magnetic applied field of 0.05T show that all our samples exhibit a paramagnetic–ferromagnetic transition with decreasing temperature. From M(H) isotherms, we have deduced the magnetic entropy change, which present maximum values of 2.37 J/kg.K and 2.94 J/kg.K, in a magnetic field change of 5T for M=Cr and Ni, respectively.

Keywords: manganites, magnetocaloric, magnetic, refrigeration

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Authors: Sabrine Ammar, Mohamed Tahar Bhiri

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Automatic planning has a de facto standard language called Planning Domain Definition Language (PDDL) for describing planning problems. It aims to formalize the planning problems described by the concept of state space. PDDL-related dynamic analysis tools, namely planners and validators, are insufficient for verifying and validating PDDL descriptions. Indeed, these tools made it possible to detect errors a posteriori by means of test activity. In this paper, we recommend a formal approach coupling the two languages Event-B and PDDL, for automatic planning. Event-B is used for formal modeling by stepwise refinement with mathematical proofs of planning problems. Thus, this paper proposes a refinement strategy allowing to obtain reliable PDDL descriptions from an ultimate Event-B model correct by construction. The ultimate Event-B model, correct by construction which is supposed to be translatable into PDDL, is automatically translated into PDDL using our MDE Event-B2PDDL tool.

Keywords: code generation, event-b, PDDL, refinement strategy, translation rules

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Authors: G. Çelik Gül, F. Kurtuluş

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Rare earths containing complex metal oxides have drawn much attention due to physical, chemical and optical properties which make them feasible in so many areas such as non-linear optical materials and ion exchanger. We have researched a systematic study to obtain rare earth containing zirconium molybdate compound, characterization, investigation of crystal system and calculation of unit cell parameters.  After a successful synthesis of Nd₂Zr₃(MoO₄)₉ which is a member of rare earth metal containing complex oxides family, X-ray diffraction (XRD), High Score Plus/Rietveld refinement analysis, and Fourier Transform Infrared Spectroscopy (FTIR) were completed to determine the crystal structure. Morphological properties and elemental composition were determined by scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) analysis. Thermal properties were observed via Thermogravimetric-differential thermal analysis (TG/DTA).

Keywords: Nd₂Zr₃(MoO₄)₉, powder x-ray diffraction, solid state synthesis, zirconium molybdates

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Authors: M. P. Joshi, F. Deganello, L. F. Liotta, V. La Parola, G. Pantaleo

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For the first time, commercial iron nitrate was replaced by rust wastes, as a source of Iron for the preparation of LaFeO₃ powders by solution combustion synthesis (SCS). A detailed comparison with a reference powder obtained by SCS, starting from a commercial iron nitrate, was also performed. Several techniques such as X-ray diffraction combined with Rietveld refinement, mass plasma atomic emission spectroscopy, nitrogen adsorption measurements, temperature programmed reduction, X-ray photoelectron spectroscopy, Fourier transform analysis and scanning electron microscopy were used for the characterization of the rust wastes as well as of the perovskite powders. The performance of this ecofriendly material was evaluated by testing the activity and selectivity in the propylene oxidation, in order to use it for the benefit of the environment. Characterization and performance results clearly evidenced limitations and peculiarities of this new approach.

Keywords: perovskite type catalysts, solution combustion synthesis, X-ray diffraction, rust wastes

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Authors: Ashwani Kumar

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GPS plays an important role in everyday life for safe and convenient transportation. While pedestrians use hand held devices to know their position in a city, vehicles in intelligent transport systems use relatively sophisticated GPS receivers for estimating their current position. However, in urban areas where the GPS satellites are occluded by tall buildings, trees and reflections of GPS signals from nearby vehicles, GPS position estimation becomes poor. In this work, an exhaustive GPS data is collected at a single point in urban area under different times of day and under dynamic environmental conditions. The data is analyzed and statistical refinement methods are used to obtain optimal position estimate among all the measured positions. The results obtained are compared with publically available datasets and obtained position estimation refinement results are promising.

Keywords: global positioning system, statistical approach, intelligent transport systems, least squares estimation

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Authors: S. Khardazi, H. Zaitouni, A. Neqali, S. Lyubchyk, D. Mezzane, M. Amjoud, E. Choukri, S. Lyubchyk, Z. Kutnjak

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In the present paper, structural, dielectric, ferroelectric, and energy storage properties of pure perovskite lead-free BCZT, BTSn, and BTSn-BCZT ferroelectric ceramics have been investigated. Rietveld refinement of XRD data confirms the coexistence of the rhombohedral and orthorhombic phases at room temperature in the composite BCZT–BTSn ceramic. Remarkably, an improved recoverable energy density of 137.86 mJ/cm³ and a high energy storage efficiency of 86.19 % at 80°C under a moderate applied electric field of 30 kV/cm were achieved in the designed BCZT–BTSn ceramic. Besides, the sample exhibits excellent thermal stability of the energy storage efficiency (less than 3%) in the temperature range of 70 to 130 °C under 30 kV/cm. Such results make the pb-free BCZT–BTSn ferroelectric ceramic a very promising potential matrix for energy storage capacitor applications.

Keywords: sol-gel, ferroelectrics, lead-free, perovskites, energy storage

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Authors: Reza Miresmaeili, Asghar Heydari Astaraee, Fereshteh Dolati

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In the present study, an analytical model based on dislocation density model was developed to simulate grain refinement in surface mechanical attrition treatment (SMAT). The correlation between SMAT time and development in plastic strain on one hand, and dislocation density evolution, on the other hand, was established to simulate the grain refinement in SMAT. A dislocation density-based constitutive material law was implemented using VUHARD subroutine. A random sequence of shots is taken into consideration for multiple impacts model using Python programming language by utilizing a random function. The simulation technique was to model each impact in a separate run and then transferring the results of each run as initial conditions for the next run (impact). The developed Finite Element (FE) model of multiple impacts describes the coverage evolution in SMAT. Simulations were run to coverage levels as high as 4500%. It is shown that the coverage implemented in the FE model is equal to the experimental coverage. It is depicted that numerical SMAT coverage parameter is adequately conforming to the well-known Avrami model. Comparison between numerical results and experimental measurements for residual stresses and depth of deformation layers confirms the performance of the established FE model for surface engineering evaluations in SMA treatment. X-ray diffraction (XRD) studies of grain refinement, including resultant grain size and dislocation density, were conducted to validate the established model. The full width at half-maximum in XRD profiles can be used to measure the grain size. Numerical results and experimental measurements of grain refinement illustrate good agreement and show the capability of established FE model to predict the gradient microstructure in SMA treatment.

Keywords: dislocation density, grain refinement, severe plastic deformation, simulation, surface mechanical attrition treatment

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Authors: Narges Farokhshad, Milad Molazadeh, Saman Jamalabbasi, Hamed Babaei Giglou, Saeed Bibak

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The Persian language is an inflectional subject-object-verb language. This fact makes Persian a more uncertain language. However, using techniques such as Zero-Width Non-Joiner (ZWNJ) recognition, punctuation restoration, and Persian Ezafe construction will lead us to a more understandable and precise language. In most of the works in Persian, these techniques are addressed individually. Despite that, we believe that for text refinement in Persian, all of these tasks are necessary. In this work, we proposed a ViraPart framework that uses embedded ParsBERT in its core for text clarifications. First, used the BERT variant for Persian followed by a classifier layer for classification procedures. Next, we combined models outputs to output cleartext. In the end, the proposed model for ZWNJ recognition, punctuation restoration, and Persian Ezafe construction performs the averaged F1 macro scores of 96.90%, 92.13%, and 98.50%, respectively. Experimental results show that our proposed approach is very effective in text refinement for the Persian language.

Keywords: Persian Ezafe, punctuation, ZWNJ, NLP, ParsBERT, transformers

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Authors: Giacomo Rossi, Bernardo Favini, Eugenio Giacomazzi, Franca Rita Picchia, Nunzio Maria Salvatore Arcidiacono

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A numerical technique for mesh refinement in the HeaRT (Heat Release and Transfer) numerical code is presented. In the CFD framework, Large Eddy Simulation (LES) approach is gaining in importance as a tool for simulating turbulent combustion processes, also if this approach has an high computational cost due to the complexity of the turbulent modeling and the high number of grid points necessary to obtain a good numerical solution. In particular, when a numerical simulation of a big domain is performed with a structured grid, the number of grid points can increase so much that the simulation becomes impossible: this problem can be overcame with a mesh refinement technique. Mesh refinement technique developed for HeaRT numerical code (a staggered finite difference code) is based on an high order reconstruction of the variables at the grid interfaces by means of a least square quasi-ENO interpolation: numerical code is written in modern Fortran (2003 standard of newer) and is parallelized using domain decomposition and message passing interface (MPI) standard.

Keywords: LES, multi-resolution, ENO, fortran

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Authors: Wassima El Mofid, Svetlozar Ivanov, Andreas Bund

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The increasing requirements for high power and energy lithium ion batteries have led to the development of several classes of positive electrode materials. Among those one promising material is LiNixMnyCo1−x−yO2 due to its high reversible capacity and remarkable cycling performance. Further structural stabilization and improved electrochemical performance of this class of cathode materials can be achieved by cationic substitution to a transition metal such as Al, Mg, Cr, etc. The current study discusses a novel NMC type material obtained by simultaneous cationic substitution of the cobalt which is a toxic element, with aluminum and iron. A compound with the composition LiNi0.6Mn0.2Co0.15Al0.025Fe0.025O2 (NMCAF) was synthesized by the self-combustion method using sucrose as fuel. The material has a layered α-NaFeO2 type structure with a good hexagonal ordering. Rietveld refinement analysis of the XRD patterns revealed a very low cationic mixing compared to the non-substituted material LiNi0.6Mn0,2Co0.2O2 suggesting a structural stabilization. Galvanostatic cycling measurements indicate improved electrochemical performance after the metal substitution. An initial discharge capacity of about 190 mAh.g−1 at slow rate (C/20), and a good cycling stability even at moderately faster rates (C/5 and C) have been observed. The long term cycling displayed a capacity retention of about 90% after 10 cycles.

Keywords: cationic substitution, lithium ion batteries, positive electrode material, self-combustion synthesis method

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Authors: Oladejo S. O, Tomori W. B, Adebayo A. O

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The main objective of this research is to identify the geochemical and mineralogical characteristics potential of unexplored tailings around the gold deposit region using spatial statistics and map modeling. Some physicochemical parameters such as pH, redox potential, electrical conductivity, cation exchange capacity, total organic carbon, total organic matter, residual humidity, Cation exchange capacity, and particle size were determined from both the mine drains and tailing samples using standard methods. The physicochemical parameters of tailings ranges obtained were pH (6.0 – 7.3), Eh (−16 - 95 Mev), EC (49 - 156 µS/cm), RH (0.20-2.60%), CEC (3.64-6.45 cmol/kg), TOC (3.57-18.62%), TOM (6.15-22.93%). The geochemical oxide composition were identified using Proton Induced X-ray emission and the results indicated that SiO2>Al2O3>Fe2O3>TiO2>K2O>MgO>CaO>Na2O> P2O5>MnO>Cr2O3>SrO>K2O>P2O5. The major mineralogical components in the tailing samples were determined by quantitative X-ray diffraction techniques using the Rietveld method. Geostatistical relationships among the known points were determined using ArcGIS 10.2 software to interpolate mineral concentration with respect to the study area. The Rietveld method gave a general Quartz value of 73.73-92.76%, IImenite as 0.38-4.77%, Kaolinite group as 3.19-20.83%, Muscovite as 0.77-11.70% with a trace of other minerals. The high percentage of quartz is an indication of a sandy environment with a loose binding site.

Keywords: tailings, geochemical, mineralogy, spatial

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Authors: Rajaa Filali, Mohamed Bouhdadi

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

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

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Authors: J. Plocek, P. Holec, S. Kubickova, B. Pacakova, I. Matulkova, A. Mantlikova, I. Němec, D. Niznansky, J. Vejpravova

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This article presents summary on preparation and characterization of zinc, copper, cadmium and cobalt chromite nano crystals, embedded in an amorphous silica matrix. The ZnCr2O4/SiO2, CuCr2O4/SiO2, CdCr2O4/SiO2 and CoCr2O4/SiO2 nano composites were prepared by a conventional sol-gel method under acid catalysis. Final heat treatment of the samples was carried out at temperatures in the range of 900–1200 °C to adjust the phase composition and the crystallite size, respectively. The resulting samples were characterized by Powder X-ray diffraction (PXRD), High Resolution Transmission Electron Microscopy (HRTEM), Raman/FTIR spectroscopy and magnetic measurements. Formation of the spinel phase was confirmed in all samples. The average size of the nano crystals was determined from the PXRD data and by direct particle size observation on HRTEM; both results were correlated. The mean particle size (reviewed by HRTEM) was in the range from ~ 4 to 46 nm. The results showed that the sol-gel method can be effectively used for preparation of the spinel chromite nano particles embedded in the silica matrix and the particle size is driven by the type of the cation A2+ in the spinel structure and the temperature of the final heat treatment. Magnetic properties of the nano crystals were found to be just moderately modified in comparison to the bulk phases.

Keywords: sol-gel method, nanocomposites, Rietveld refinement, Raman spectroscopy, Fourier transform infrared spectroscopy, magnetic properties, spinel, chromite

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Authors: Nidhi Adhlakha, K. L. Yadav

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Three phase magnetoelectric (ME) composites (1-x)(0.7BiFeO3-0.3CoFe2O4)-xPbTiO3 (or equivalently written as (1-x)(0.7BFO-0.3CFO)-xPT) with x variations 0, 0.30, 0.35, 0.40, 0.45 and 1.0 were synthesized using hybrid processing route. The effects of PT addition on structural, multiferroic and optical properties have been subsequently investigated. A detailed Rietveld refinement analysis of X-ray diffraction patterns has been performed, which confirms the presence of structural phases of individual constituents in the composites. Field emission scanning electron microscopy (FESEM) images are taken for microstructural analysis and grain size determination. Transmission electron microscopy (TEM) analysis of 0.3CFO-0.7BFO reveals the average particle size to be lying in the window of 8-10 nm. The temperature dependent dielectric constant at various frequencies (1 kHz, 10 kHz, 50 kHz, 100 kHz and 500 kHz) has been studied and the dielectric study reveals that the increase of dielectric constant and decrease of average dielectric loss of composites with incorporation of PT content. The room temperature ferromagnetic behavior of composites is confirmed through the observation of Magnetization vs. Magnetic field (M-H) hysteresis loops. The variation of magnetization with temperature indicates the presence of spin glass behavior in composites. Magnetoelectric coupling is evidenced in the composites through the observation of the dependence of the dielectric constant on the magnetic field, and magnetodielectric response of 2.05 % is observed for 45 mol% addition of PT content. The fractional change of magnetic field induced dielectric constant can also be expressed as ∆ε_r~γM^2 and the value of γ is found to be ~1.08×10-2 (emu/g)-2 for composite with x=0.40. Fourier transformed infrared (FTIR) spectroscopy of samples is carried out to analyze various bonds formation in the composites.

Keywords: composite, X-ray diffraction, dielectric properties, optical properties

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Authors: Adnan I. O. Zaid

Abstract:

Zinc aluminum alloys are versatile materials which are widely used in manufacturing several parts in the automobile and aircraft industries. The effect of grain refinement of these alloys by rare earth elements on their mechanical characteristics is scarce. The equal channel angular pressing is relatively recent method for producing severe plastic deformation in materials subjected to it resulting in refinement of their structure and enhancement of their mechanical characteristics. The phase diagram of these alloys indicates that large dendrites of large grain size can be formed during their solidification of the cast which tends to deteriorate their mechanical strength and surface quality. To overcome this problem they are normally grain refined by either titanium or titanium + boron to their melt prior to solidification. In this paper, comparison between the effect of adding either titanium, (Ti), titanium+boron, (Ti+B), or Molybdenum, Mo, to zinc-aluminum22, alloy, (ZA22) on its metallurgical and mechanical characteristics in the cast condition and after pressing by the ECAP process is investigated. It was found that addition of either Ti, Ti+B, or Mo to the ZA22 alloy in the cast condition resulted in refining of their structure being more refined by the addition of Mo, then .Ti+B and less refining by Ti addition. Furthermore, the ECAP process resulted in further refinement of the alloy micro structure except in case of Ti+B addition where poisoning i.e. coarsening of the grains has occurred. Regarding the addition of these element on the mechanical behavior; it was found that addition of Ti Or Ti+B resulted in little enhancement of the alloy strength factor and its flow stress at 20% true strain; whereas, the addition of resulted in deteriorating of its mechanical behavior as % decrease in the strength factor and % in its flow stress of 20%. As for the strain hardening index; addition of any of these elements resulted in decreasing the strain hardening index.

Keywords: addition, grain refinement, mechanical characteristics, microstructure, rare earth elements, ZA-22, Zinc- aluminum alloy

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Authors: Ricardo Paiva, Rui Soares, Felix Harnau, Bruno Fragoso

Abstract:

Nickel-based alloys are materials well suited for service in extreme environments subjected to pressure and heat. Some industrial applications for Nickel-based alloys are aerospace and jet engines, oil and gas extraction, pollution control and waste processing, automotive and marine industry. It is generally recognized that grain refinement is an effective methodology to improve the quality of casted parts. Conventional grain refinement techniques involve the addition of inoculation substances, the control of solidification conditions, or thermomechanical treatment with recrystallization. However, such methods often lead to non-uniform grain size distribution and the formation of hard phases, which are detrimental to both wear performance and biocompatibility. Stirring of the melt by electromagnetic fields has been widely used in continuous castings with success for grain refinement, solute redistribution, and surface quality improvement. Despite the advantages, much attention has not been paid yet to the use of this approach on functional castings such as investment casting. Furthermore, the effect of electromagnetic stirring (EMS) fields on Nickel-based alloys is not known. In line with the gaps/needs of the state-of-art, the present research work targets to promote new advances in controlling grain size and morphology of investment cast Nickel based alloys. For such a purpose, a set of experimental tests was conducted. A high-frequency induction furnace with vacuum and controlled atmosphere was used to cast the Inconel 718 alloy in ceramic shells. A coil surrounded the casting chamber in order to induce electromagnetic stirring during solidification. Aiming to assess the effect of the electromagnetic stirring on Ni alloys, the samples were subjected to microstructural analysis and mechanical tests. The results show that electromagnetic stirring can be an effective methodology to modify the grain size and mechanical properties of investment-cast parts.

Keywords: investment casting, grain refinement, electromagnetic stirring, nickel alloys

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Authors: Bhairi Lakshminarayana, Surajit Sarker, Ch. Subrahmanyam

Abstract:

The present study reports the development of noble metal free nano catalysts for low-temperature CO oxidation and water gas shift reaction. Mn-substituted CeO2 solid solution catalysts were synthesized by co-precipitation, combustion and hydrothermal methods. The formation of solid solution was confirmed by XRD with Rietveld refinement and the percentage of carbon and nitrogen doping was ensured by CHNS analyzer. Raman spectroscopic confirmed the oxygen vacancies. The surface area, pore volume and pore size distribution confirmed by N2 physisorption analysis, whereas, UV-visible diffuse reflectance spectroscopy and XPS data confirmed the oxidation state of the Mn ion. The particle size and morphology (spherical shape) of the material was confirmed using FESEM and HRTEM analysis. Ce0.8Mn0.2O2-δ was calcined at 400 °C, 600 °C and 800 °C. Raman spectroscopy confirmed that the catalyst calcined at 400 °C has the best redox properties. The activity of the designed catalysts for CO oxidation (0.2 vol%), carried out with GHSV of 21,000 h-1 and it has been observed that co-precipitation favored the best active catalyst towards CO oxidation and water gas shift reaction, due to the high surface area, improved reducibility, oxygen mobility and highest quantity of surface oxygen species. The activation energy of low temperature CO oxidation on Ce0.8Mn0.2O2- δ (combustion) was 5.5 kcal.K-1.mole-1. The designed catalysts were tested for water gas shift reaction. The present study demonstrates that Mn ion substituted ceria at 400 °C calcination temperature prepared by co-precipitation method promise to revive a green sustainable energy production approach.

Keywords: Ce0.8Mn0.2O2-ð, CO oxidation, physicochemical characterization, water gas shift reaction (WGS)

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Authors: A. Chari, A. El Bouari, B. Orayech, A. Faik, J. M. Igartua

Abstract:

The phosphate is a natural resource of great importance in Morocco. In order to exploit this wealth, synthesis and studies of new a material based phosphate, were carried out. The apatite structure present o lot of characteristics, One of the main characteristics is to allow large and various substitutions for both cations and anions. Beside their biological importance in hard tissue (bone and teeth), apatites have been extensively studied for their potential use as fluorescent lamp phosphors or laser host materials.The apatite have interesting possible application fields such as in medicine as materials of bone filling, coating of dental implants, agro chemicals as artificial fertilizers. The LiPb2Ca2(PO4)3 was synthesized by the solid-state method, its crystal structure was investigated by Rietveld analysis using XRPD data. This material crystallizes with a structure of lacunar apatite anion deficit. The LiPb2Ca2(PO4)3 is hexagonal apatite at room temperature, adopting the space group P63/m (ITA No. 176), Rietveld refinements showed that the site 4f is shared by three cations Ca, Pb and Li. While the 6h is occupied by the Pb and Li cations. The structure can be described as built up from the PO4 tetrahedra and the sixfold coordination cavities, which delimit hexagonal tunnels along the c-axis direction. These tunnels are linked by the cations occupying the 4 f sites. Raman and Infrared spectroscopy analyses were carried out. The observed frequencies were assigned and discussed on the basis of unit-cell group analysis and by comparison to other apatite-type materials.

Keywords: apatite, Lacunar, crystal structure, Rietveldmethod, LiPb2Ca2(PO4)3, Phase transition

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Authors: C. H. S. Vidyasagar, D. B. Karunakar

Abstract:

In this present work, five different composite samples with AA2024 as matrix and varying amounts of yttrium (0.1-0.5 wt.%) as reinforcement are developed through cold compaction. The microstructures of the developed composite samples revealed that the yttrium reinforcement caused grain refinement up to 0.3 wt.% and beyond which the refinement is not effective. The microstructure revealed Al2Cu precipitation which strengthened the composite up to 0.3 wt.% yttrium reinforcement. Upon further increase in yttrium reinforcement, the intermetallics and the precipitation coarsen and their corresponding strengthening effect decreases. The mechanical characterization revealed that the composite sample reinforced with 0.3 wt.% yttrium showed highest mechanical properties like 82 HV of hardness, 276 MPa Ultimate Tensile Strength (UTS), 229 MPa Yield Strength (YS) and an elongation (EL) of 18.9% respectively. However, the relative density of the developed composites decreased with the increase in yttrium reinforcement.

Keywords: mechanical properties, AA 2024 matrix, yttrium reinforcement, cold compaction, precipitation

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