Search results for: X-ray diffraction technique

Authors: Flóra Pomázi, Sándor Baranya, Zoltán Szalai

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A harmonized monitoring of the suspended sediment transport along such a large river as the world’s most international river, the Danube River, is a rather challenging task. The traditional monitoring method in Hungary is obsolete but using indirect measurement devices and techniques like optical backscatter sensors (OBS), laser diffraction or acoustic backscatter sensors (ABS) could provide a fast and efficient alternative option of direct methods. However, these methods are strongly sensitive to the particle characteristics (i.e. particle shape, particle size and mineral composition). The current method does not provide sufficient information about particle size distribution, mineral analysis is rarely done, and the shape of the suspended sediment particles have not been examined yet. The aims of the study are (1) to determine the particle characterisation of suspended sediment in the Danube River using advanced particle characterisation methods as laser diffraction and automated imaging, and (2) to perform a sensitivity analysis of the indirect methods in order to determine the impact of suspended particle characteristics. The particle size distribution is determined by laser diffraction. The particle shape and mineral composition analysis is done by the Morphologi G3ID image analyser. The investigated indirect measurement devices are the LISST-Portable|XR, the LISST-ABS (Sequoia Inc.) and the Rio Grande 1200 kHz ADCP (Teledyne Marine). The major findings of this study are (1) the statistical shape of the suspended sediment particle - this is the first research in this context, (2) the actualised particle size distribution – that can be compared to historical information, so that the morphological changes can be tracked, (3) the actual mineral composition of the suspended sediment in the Danube River, and (4) the reliability of the tested indirect methods has been increased – based on the results of the sensitivity analysis and the previous findings.

Keywords: advanced particle characterisation, automated imaging, indirect methods, laser diffraction, mineral composition, suspended sediment

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Authors: Chandni Rani, S. D. Tiwari

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Ferrihydrite is one of the distinct minerals in the family of oxides, hydroxides and oxyhydroxides of iron. It is a nanocrystalline material. It occurs naturally in different sediments, soil systems and also found in the core of ferritin, an iron storage protien. This material can also be synthesized by suitable chemical methods in laboratories. This is known as less crystalline Iron (III) Oxyhydroxide. Due to its poor crystallinity, there are very broad peaks in x-ray diffraction. Depending on the number of peaks in x-ray diffraction pattern, it is classified as two lines and six lines ferrihydrite. The average crystallite size for these two forms is found to be about 2nm to 5nm. The exact crystal structure of this system is still under debate. Out of these two forms, the six lines ferrihydrite is more ordered in comparison to two lines ferrihydrite. The magnetic behavior of two lines ferrihydrite nanoparticles is somewhat well studied. But the magnetic behavior of six lines ferrihydrite nanoparticles could not attract the attention of researchers much. This motivated us to work on the magnetic properties of six lines ferrihydrite nanoparticles. In this work, we present synthesis, structural characterization and magnetic behavior of 5 nm six lines ferrihydrite nanoparticles. X-ray diffraction and transmission electron microscope are used for structural characterization of this system. Magnetization measurements are performed to fit the data at different temperatures. Then the effect of magnetic moment distribution is also found. All these observations are discussed in detail.

Keywords: nanoparticles, magnetism, superparamagnetism, magnetic anisotropy

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Authors: Gülşah Çelik Gül, Figen Kurtuluş

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The first laboratory synthesis of hard materials such as diamond proceeded to attack of developing materials with high hardness to compete diamond. Boron rich solids are good candidates owing to their short interatomic bond lengths and strong covalent character. Boron containing hard material was synthesized by modified-microwave method under nitrogen atmosphere by using a fuel (glycine or urea), amorphous boron and/or boric acid in appropriate molar ratio. Characterizations were done by x-ray diffraction (XRD), fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy/energy dispersive analyze (SEM/EDS), thermo gravimetric/differantial thermal analysis (TG/DTA).

Keywords: boron containing materials, hard materials, microwave synthesis, powder X-ray diffraction

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Authors: Maria V. Morozova, Zoya A. Mikhaylovskaya, Elena S. Buyanova, Sofia A. Petrova, Ksenia V. Arishina, Robert G. Zaharov

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The present work is devoted to the investigation of two series of doped bismuth molybdates: Bi₂₆-₂ₓMn₂ₓMo₁₀O₆₉-d and Bi₂₆Mo₁₀-₂yMn₂yO₆₉-d. Complex oxides were synthesized by conventional solid state technology and by co-precipitation method. The products were identified by powder diffraction. The powders and ceramic samples were examined by means of densitometry, laser diffraction, and electron microscopic methods. Porosity of the ceramic materials was estimated using the hydrostatic method. The electrical conductivity measurements were carried out using impedance spectroscopy method.

Keywords: bismuth molybdate, columnar structures, impedance spectroscopy, oxygen ionic conductors

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Authors: F. Ghafoori-Najafabadi, R. Sarraf-Mamoory, N. Riahi-Noori

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In this study, nanocrystalline CeO2-MgO powders were synthesized by combustion reactions using citric acid, ethylene glycol, and glycine as different fuels and nitrate as an oxidant. The powders obtained with different kinds of fuels are characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The size and morphology of the particles and the extent of agglomeration in the powders were studied using SEM analysis. It is observed that the variation of fuel has an intense influence on the particle size and morphology of the resulting powder. X-ray diffraction revealed that any combined phases were observed, and that MgO and CeO2 phases were formed, separately.

Keywords: nanoparticle, combustion synthesis, CeO2-MgO, nano-powder

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Authors: Renu Kumari, Jyotsna Dutta Majumdar

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In the present study, composite coating consisting of hydroxyapatite (HA) + 50 wt% TiO2 has been developed on Ti-6Al-4V substrate by plasma spray deposition technique. Followed by plasma spray deposition, detailed surface roughness and microstructural characterization were carried out by using optical profilometer and scanning electron microscopy (SEM), respectively. The composition and phase analysis were carried out by energy-dispersive X-ray spectroscopy analysis, and X-ray diffraction (XRD) technique, respectively. The bio-activity behavior of the uncoated and coated samples was also compared by dipping test in Hank’s solution. The average surface roughness of the coating was 10 µm (as compared to 0.5 µm of as-received Ti-6Al-4V substrate) with the presence of porosities. The microstructure of the coating was found to be continuous with the presence of solidified splats. A detailed XRD analysis shows phase transformation of TiO2 from anatase to rutile, decomposition of hydroxyapatite, and formation of CaTiO3 phase. Standard dipping test confirmed a faster kinetics of deposition of calcium phosphate in the coated HA+50% wt.% TiO2 surface as compared to the as-received substrate.

Keywords: titanium, plasma spraying, microstructure, bio-activity, TiO2, hydroxyapatite

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Authors: Gabriel K. Nzulu, Lina Rostorm, Hans Högberg, Jun Liu, per Eklund, Lars Hultman, Martin Magnuson

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Altered and gangue quartz in hydrothermal veins from the Kubi Gold deposit in Dunkwa on Offin in the central region of Ghana are investigated for possible Au associated pathfinder minerals and to provide understanding and increase the knowledge of the mineral hosting and alteration processes in quartz. X-ray diffraction, air annealing furnace, differential scanning calorimetry, energy dispersive X-ray spectroscopy, and transmission electron microscopy have been applied on different quartz types outcropping from surface and bed rocks at the Kubi Gold Mining to reveal the material properties at different temperatures. From the diffraction results of the fresh and annealed quartz samples, we find that the samples contain pathfinder and the impurity minerals FeS₂, biotite, TiO₂, and magnetite. These minerals, under oxidation process between 574-1400 °C temperatures experienced hematite alterations and a transformation from α-quartz to β-quartz and further to cristobalite as observed from the calorimetry scans for hydrothermally exposed materials. The energy dispersive spectroscopy revealed elemental species of Fe, S, Mg, K, Al, Ti, Na, Si, O, and Ca contained in the samples and these are attributed to the impurity phase minerals observed in the diffraction. The findings also suggest that during the hydrothermal flow regime, impurity minerals and metals can be trapped by voids and faults. Under favorable temperature conditions the trapped minerals can be altered to change color at different depositional stages by oxidation and reduction processes leading to hematite alteration which is a useful pathfinder in mineral exploration.

Keywords: quartz, hydrothermal, minerals, hematite, x-ray diffraction, crystal-structure, defects

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Authors: Somayeh Azizi, Mohammad Hossein Ehsani, Amir Zareidoost

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In this research, a technique has been developed to reduce the corrosion rate of magnesium (Mg) metal by creating Zr-Nb thin film coatings. In this regard, thin-film coatings of niobium (Nb) zirconium (Zr) double alloy are applied on pure Mg specimens under different processes conditions, such as the change of the substrate temperature, substrate bias, and coating thickness using the magnetron sputtering method. Then, deposited coatings are analyzed in terms of surface features via field-emission scanning electron microscopy (FE-SEM), thin-layer X-ray diffraction (GI-XRD), energy-dispersive X-ray spectroscopy (EDS), atomic force microscopy (AFM), and corrosion tests. Also, nano-scratch tests were carried out to investigate the adhesion of the thin film. The results showed that the (Zr-Nb) thin films could control the degradation rate of Mg in the simulated body fluid (SBF). The nano-scratch studies depicted that the (Zr-Nb) thin films have a proper adhesion with the Mg substrate. Therefore, this technique could be used to enhance the corrosion resistance of bare Mg and could result in improving the performance of the biodegradable Mg implant for orthopedic applications.

Keywords: (Zr-Nb) thin film, magnetron sputtering, biodegradable Mg, degradation rate

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Authors: Ali Obeydavi, Majid Rahimi

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This study explores the synthesis and characterization of Fe-Cr-Mo-Co-C-B-Si thin film metallic glasses fabricated using the pulsed laser deposition (PLD) technique on silicon wafers and 304 stainless steel substrates. We systematically varied the laser pulse numbers (20,000; 30,000; 40,000) and energies (130, 165, 190 mJ) to investigate their effects on the microstructural, mechanical, and corrosion properties of the deposited films. Comprehensive characterization techniques, including grazing incidence X-ray diffraction, field emission scanning electron microscopy, atomic force microscopy, and transmission electron microscopy with selected area electron diffraction, were utilized to assess the amorphous structure and surface morphology. Results indicated that increased pulse numbers and laser energies led to enhanced deposition rates and film thicknesses. Nanoindentation tests demonstrated that the hardness and elastic modulus of the amorphous thin films significantly surpassed those of the 304 stainless steel substrate. Additionally, electrochemical polarization and impedance spectroscopy revealed that the Fe-based metallic glass coatings exhibited superior corrosion resistance compared to the stainless steel substrate. The observed improvements in mechanical and corrosion properties are attributed to the unique amorphous structure achieved through the PLD process, highlighting the potential of these materials for protective coatings in aggressive environments

Keywords: silicon wafer, laser energies, corrosion resistance, Fe-based metallic glass

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Authors: Ibetombi Soibam

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Li-Zn-Ni ferrite having the compositional formula Li0.4-0.5xZn0.2NixFe2.4-0.5xO4 where x = 0.02 ≤ x ≤0.1 in steps of 0.02 was fabricated by the citrate precursor method. In this method, metal nitrates and citric acid was used to prepare the gel which exhibit self-propagating combustion behavior giving the required ferrite sample. The ferrite sample was given a pre-firing at 650°C in a programmable conventional furnace for 3 hours with a heating rate of 5°C/min. A series of the sample was finally given conventional sintering (CS) at 1040°C after the pre-firing process. Another series was given microwave sintering (MS) at 1040°C in a programmable microwave furnace which uses a single magnetron operating at 2.45 GHz frequency. X- ray diffraction pattern confirmed the spinel phase structure for both the series. The theoretical and experimental density was calculated. It was observed that densification increases with the increase in Ni concentration in both the series. However, samples sintered by microwave technique was found to be denser. The microstructure of the two series of the sample was examined using scanning electron microscopy (SEM). Dielectric properties have been investigated as a function of frequency and composition for both series of samples sintered by CS and MS technique. The variation of dielectric constant with frequency show dispersion for both the series. It was explained in terms of Koop’s two layer model. From the analysis of dielectric measurement, it was observed that the value of room temperature dielectric constant decreases with the increase in Ni concentration for both the series. The microwave sintered samples show a lower dielectric constant making microwave sintering suitable for high-frequency applications. The possible mechanisms contributing to all the above behavior is being discussed.

Keywords: citrate precursor, dielectric constant, ferrites, microwave sintering

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Authors: Nese Ozturk Korpe, Muhammed H. Karas

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Reaction synthesis, or combustion synthesis, is a processing technique in which the thermal activation energy of formation of a compound is sustained by its exothermic heat of reaction. The aim of the present study was to investigate the effect of high initial pressing pressures (420 MPa, 630 MPa, and 850 MPa) on porosity of Ti3Al which produced by volume combustion synthesis. Microstructure examinations were performed by optical microscope (OM) and scanning electron microscope (SEM). Phase analyses were performed with X-ray diffraction device (XRD). A significant decrease in porosity was obtained due to an increase in the initial pressing pressure.

Keywords: Titanium Aluminide, Volume Combustion Synthesis, Intermetallic, Porosity

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Authors: Anant Pandey, Kanika Sharma, Vibha Chopra, Shaila Bahl, Pratik Kumar, S. P. Lochab, Birendra Singh

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This paper reports the thermoluminescence (TL) properties of nanocrystalline CaSO₄ activated by Ce, Sm, and Dy. TL properties are investigated by chiefly changing the dopant element and also by varying the concentration of the dopant elements (from 0.05 mol % to 0.5 mol %) so as to establish the optimized dopant concentration for each of the activators. The method of salt preparation used is the typical chemical co-precipitation method and the technique used for characterization of the prepared samples is the X-Ray Diffraction (XRD) technique. Further, the phosphors are irradiated with gamma radiation from Co-60 (1.25 MeV) source (dose range- 30 Gy to 500 Gy). The optimized concentration (vis-a-vis TL peak intensity) of activator for CaSO₄:Ce is found to be 0.2 mol %, for CaSO₄:Sm it is 0.1 mol % and for CaSO₄:Dy it is 0.2 mol %. Further, the primary study of the TL response curves for all the three phosphors confirms linearity in the studied dose range (i.e., 30 Gy to 500 Gy). Finally, CaSO₄:Dy was also studied for its energy dependence property which plays an important role in defining the utility of a phosphor for dosimetric applications. The range of doses used for the energy dependence study was from 30 Gy to 500 Gy from Cs-137 (0.662 MeV). The nano-phosphors showed potential to be used as radiation dosimeter in the studied range of gamma radiation and thus must be studied for a wider range of doses.

Keywords: gamma radiation, nanocrystalline, radiation dosimetry, thermoluminescence

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Authors: P. Hari Prasad Reddy, C. H. Rama Vara Prasad, G. Kalyan Kumar

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This paper presents the morphological and mineralogical changes occurring in the soil due to immediate and prolonged interaction with different concentrations of phosphoric acid and sulphuric acid. In order to assess the effect of acid contamination, a series of sediment volume, scanning electron microscopy and X-ray diffraction analysis tests were carried out on soil samples were exposed to different concentrations (1N, 4N and 8N) of phosphoric and sulphuric acid. Experimental results show that both acids showed severe morphological and mineralogical changes with synthesis of neogenic formations mainly at higher concentrations (4N and 8N) and at prolonged duration of interaction (28 and 80 days).

Keywords: phosphoric acid, scanning electron microscopy, sulphuric acid, x-ray diffraction analysis

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Authors: Wen-Jye Shyr, Chia-Ming Lin, Hung-Yun Feng

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The purpose of this study was to develop an energy management system for university campuses based on the Internet of Things (IoT) technique. The proposed IoT technique based on WebAccess is used via network browser Internet Explore and applies TCP/IP protocol. The case study of IoT for lighting energy usage management system was proposed. Structure of proposed IoT technique included perception layer, equipment layer, control layer, application layer and network layer.

Keywords: energy management, IoT technique, sensor, WebAccess

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Authors: Thiago Brito Bezerra

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This paper presents a novel approach to reduce power consumption of digital filters based on dynamic bypassing of partial products in their multipliers. The bypassing elements incorporated into the multiplier hardware eliminate redundant signal transitions, which appear within the carry-save adders when the partial product is zero. This technique reduces the power consumption by around 20%. The circuit implementation was made using the AMS 0.18 um technology. The bypassing technique applied to the circuits is outlined.

Keywords: digital filter, low-power, bypassing technique, low-pass filter

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Authors: A. Attaf, I. Bouhaf Kharkhachi

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Hexagonal tin disulfide (SnS2) films were deposited by spray ultrasonic technique on glass substrates at different experimental conditions. The effect of deposition time (2, 4, 6, and 7 min) on different properties of SnS2 thin films was investigated by XRD and UV spectroscopy visible spectrum. X-ray diffraction study detected the preferential orientation growth of SnS2 compound having structure along (001) plane increased with the deposition time. The results of UV spectroscopy visible spectrum showed that films deposited at 4 min have high transmittance, up to 60%, in the visible region.

Keywords: structural and optical properties, tin sulfide, thin films, ultrasonic spray

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Authors: N. H. Alias, S. A. Aziz, Y. Abdullah, H. M. Kamari, S. Sani, M. P. Ismail, N. U. Saidin, N. A. A. Salim, N. E. E. Abdullah

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Gamma (γ) irradiation study has been investigated on the 6 rectangular shape of the standard X-Ray lead glass with 5/16” thick, providing 2.00 mm lead shielding value; at selected Sievert doses (C1; 0, C2; 0.07, C3; 0.035, C4; 0.07, C5; 0.105 and C6; 0.14) by using (XRD) X-ray Diffraction techniques, ultrasonic and (UV-VIS) Ultraviolet-Visible Spectroscopy. Concentration of lead in 0.5 N acid nitric (HNO3) environments is then studied by means of Atomic Absorption Spectroscopy (AAS) as to observe the glass corrosion behavior after irradiation at room temperature. This type of commercial glass is commonly used as radiation shielding glass in medical application.

Keywords: gamma irradiation, lead glass, leaching, structural

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Authors: Mandlenkosi G. R. Mahlobo, Peter A. Olubambi

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Cathodic protection (CP) has been widely considered as a suitable technique for mitigating corrosion of steel structures buried in soil. Plenty of efforts have been made in developing techniques, in particular non-destructive techniques, for monitoring and quantifying the effectiveness of CP to ensure the sustainability and performance of buried steel structures. This study was aimed at using a specifically modified voltammetry approach as a non-destructive tool to monitor and quantify the effectiveness of CP of steel in simulated soil. Carbon steel was subjected to electrochemical tests with NS4 solution used as simulated soil conditions for four days before applying CP for further 11 days. A specifically modified voltammetry technique was applied at various time intervals of the experiment to monitor the corrosion behaviour and therefore reflect CP effectiveness. The voltammetry results revealed that the application of CP reduced the corrosion rate from the highest value of 410 µm/yr to 8 µm/yr between days 5 and 14 of the experiments. The microstructural analysis of the steel surface performed using x-ray diffraction identified calcareous deposit as the dominant phase protecting the surface from corrosion. It was deduced that the formation of calcareous deposits was linked with the effectiveness of CP of steel.

Keywords: carbon steel, cathodic protection, NS4 solution, voltammetry, XRD

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Authors: M. Sneha, N. Meenakshi Sundaram

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In recent times, magnetic hyperthermia is used for cancer treatment as a tool for active targeting of delivering drugs to the targeted site. It has a potential advantage over other heat treatment because there is no systemic buildup in organs and large doses are possible. The aim of this study is to develop a suitable magnetic biomaterial that can destroy the cancer cells as well as induce bone regeneration. In this work, the composite material was synthesized in two-steps. First, porous iron oxide nano needles were synthesized by hydrothermal process. Second, the hydroxyapatite, were synthesized from natural calcium (i.e., egg shell) and inorganic phosphorous source using wet chemical method. The crystalline nature is confirmed by powder X-ray diffraction analysis (XRD). Thermal analysis and the surface area of the material is studied by Thermo Gravimetric Analysis (TGA), Brunauer-Emmett and Teller (BET) technique. Scanning electron microscope (SEM) images show that the particles have nanoneedle-like morphology. The magnetic property is studied by vibrating sample magnetometer (VSM) technique which confirms the superparamagnetic behavior. This paper presents a simple and easy method for synthesis of magnetite/hydroxyapatite composites materials.

Keywords: iron oxide nano needles, hydroxyapatite, superparamagnetic, hyperthermia

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Authors: Barbara Kilosanidze, George Kakauridze, Levan Nadareishvili, Yuri Mshvenieradze

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A new method for determining the distribution of birefringence and linear dichroism in optical polymer materials is presented. The method is based on the use of polarization-holographic diffraction grating that forms an orthogonal circular basis in the process of diffraction of probing laser beam on the grating. The intensities ratio of the orders of diffraction on this grating enables the value of birefringence and linear dichroism in the sample to be determined. The distribution of birefringence in the sample is determined by scanning with a circularly polarized beam with a wavelength far from the absorption band of the material. If the scanning is carried out by probing beam with the wavelength near to a maximum of the absorption band of the chromophore then the distribution of linear dichroism can be determined. An appropriate theoretical model of this method is presented. A laboratory setup was created for the proposed method. An optical scheme of the laboratory setup is presented. The results of measurement in polymer films with two-dimensional gradient distribution of birefringence and linear dichroism are discussed.

Keywords: birefringence, linear dichroism, graded oriented polymers, optical polymers, optical anisotropy, polarization-holographic grating

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Authors: A. Mekroud, A. Khemis, M. S. Mecibah

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The tribological behavior of a pin of paramagnetic material (aluminum), rolling on a rotating disk made of ferromagnetic material (steel XC48) in the presence of an externally applied alternating magnetic field, with the passage of electric current were studied. All tests were performed using a conventional tribometer pin- disk. Structural characterization of the surfaces in contact, oxides and wear debris, by X-ray diffraction (θ-2θ angle), showed the significant effect of magnetic field on the activation of the contact surface of the pin in no ferromagnetic material. The absence of the magnetic field causes a change of wear mode.

Keywords: structural characterization of the surfaces, oxides and wear debris, X-ray diffraction

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Authors: B. Dikici, I. Ozdemir, M. Topuz

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The corrosion behaviour of 316L stainless steel coatings obtained by cold spray method was investigated in this study. 316L powders were deposited onto Al5052 aluminum substrates. The coatings were produced using nitrogen (N₂) process gas. In order to further improve the corrosion and mechanical properties of the coatings, heat treatment was applied at 250 and 750 °C. The corrosion performances of the coatings were compared using the potentiodynamic scanning (PDS) technique under in-vitro conditions (in Ringer’s solution at 37 °C). In addition, the hardness and porosity tests were carried out on the coatings. Microstructural characterization of the coatings was carried out by using scanning electron microscopy attached with energy dispersive spectrometer (SEM-EDS) and X-ray diffraction (XRD) technique. It was found that clean surfaces and a good adhesion were achieved for particle/substrate bonding. The heat treatment process provided both elimination of the anisotropy in the coating and resulting in healing-up of the incomplete interfaces between the deposited particles. It was found that the corrosion potential of the annealed coatings at 750 °C was higher than that of commercially 316 L stainless steel. Moreover, the microstructural investigations after the corrosion tests revealed that corrosion preferentially starts at inter-splat boundaries.

Keywords: biomaterials, cold spray, 316L, corrosion, heat treatment

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Authors: Anurag Gaur, Neha Sharma

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In this work, we have synthesized BaTiO3 via sol gel method by sintering at different temperatures (600-1000 0C) and studied their structural, optical and ferroelectric properties through X-Ray diffraction (XRD), UV-Vis spectrophotometer and PE Loop Tracer. X-Ray diffraction patterns of barium titanate samples show that the peaks of the diffractogram are successfully indexed with the tetragonal structure of BaTiO3 along with some minor impurities of BaCO3. The optical band gap calculated through UV Visible spectrophotometer varies from 4.37 to 3.80 eV for the samples sintered at 600 to 1000 0 C, respectively. The particle size calculated through transmission electron microscopy varies from 20 to 60 nm for the samples sintered at 600 to 1000 0C, respectively. Moreover, it has been observed that the ferroelectricity reduces as we increase the sintering temperature.

Keywords: nanostructures, ferroelectricity, sol-gel method, diffractogram

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Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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Authors: Adhinarayanan Venkatasubramanian

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For design of high speed digital circuit wave pipeline is the best approach this can be operated at higher operating frequencies by adjusting clock periods and skews so as latch the o/p of combinational logic circuit at the stable period. In this paper, there are two methods are proposed in automation task one is BIST (Built in self test) and second method is Reconfigurable technique. For the above two approaches dedicated AND gate (multiplier) by applying wave pipeline technique. BIST approach is implemented by Xilinx Spartan-II device. In reconfigurable technique done by ASIC. From the results, wave pipeline circuits are faster than nonpipeline circuit and area, power dissipation are reduced by reconfigurable technique.

Keywords: SOC, wave-pipelining, FPGA, self-testing, reconfigurable, ASIC

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Authors: Jose Alberto Duarte Moller, Cynthia Deisy Gomez Esparza

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

Keywords: XAS, EXAFS, FEFF, CoTi

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Authors: M. Ertas, A. C. Onel, G. Ekinci, B. Toydemir, S. Durdu, M. Usta, L. Colakerol Arslan

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To develop AZ91D magnesium alloys with improved properties, we have applied TiN and VN/TiN multilayer coatings using DC magnetron sputter technique. Coating structure, surface morphology, chemical bonding and corrosion resistance of coatings were analyzed by x-ray diffraction (XRD), scanning electron microscope (SEM), x-ray photoelectron spectroscopy (XPS), and tafel extrapolation method, respectively. XPS analysis reveal that VN overlayer reacts with oxygen at the VN/TiN interface and forms more stable TiN layer. Morphological investigations and the corrosion results show that VN/TiN multilayer thin film coatings are quite effective to optimize the corrosion resistance of Mg alloys.

Keywords: AZ91D Mg alloys, high corrosion resistance, transition metal nitride coatings, magnetron sputter

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Authors: Neeraj Kumar Verma

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Lanthanum hydroxide and manganese oxide nanocomposite are synthesized by chemical routes. Physical characterization is done by TEM to look at the size and dispersion of the nanoparticles in the composite. Chemical characterization is done by X-ray diffraction technique and FTIR to ascertain the attachment of the functionalities and bond stretching. Further thermal analysis is done by thermogravimetric analysis to find the tendency of the thermal decomposition in the elevated temperature range of 0-1000°C. Proper analysis and correlation of the various results obtained suggested the controlled growth of crystalline without agglomeration and good stability in the various temperature ranges of the composite.

Keywords: nanoparticles, XRD, TEM, lanthanum hydroxide, manganese oxide

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Authors: Martin Klaumünzer, Jakob Hübner, Denis Spitzer

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Within this paper, latest results on processing of energetic nanomaterials by means of the Spray Flash Evaporation technique are presented. This technology constitutes a highly effective and continuous way to prepare fascinating materials on the nano- and micro-scale. Within the process, a solution is set under high pressure and sprayed into an evacuated atomization chamber. Subsequent ultrafast evaporation of the solvent leads to an aerosol stream, which is separated by cyclones or filters. No drying gas is required, so the present technique should not be confused with spray dying. Resulting nanothermites, insensitive explosives or propellants and compositions are foreseen to replace toxic (according to REACH) and very sensitive matter in military and civil applications. Diverse examples are given in detail: nano-RDX (n-Cyclotrimethylentrinitramin) and nano-aluminum based systems, mixtures (n-RDX/n-TNT - trinitrotoluene) or even cocrystalline matter like n-CL-20/HMX (Hexanitrohexaazaisowurtzitane/ Cyclotetra-methylentetranitramin). These nanomaterials show reduced sensitivity by trend without losing effectiveness and performance. An analytical study for material characterization was performed by using Atomic Force Microscopy, X-Ray Diffraction, and combined techniques as well as spectroscopic methods. As a matter of course, sensitivity tests regarding electrostatic discharge, impact, and friction are provided.

Keywords: continuous synthesis, energetic material, nanoscale, nanoexplosive, nanothermite

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Authors: Abbas R. Ali, Diana A. Bayiz

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14 mudstone samples were collected within the sedimentary succession of Mukdadiya Formation (Late Miocene – Early Pliocene) from Shewasoor area at Northeastern Iraq. The samples were subjected to laboratory studies including mineralogical analysis (using X-ray Diffraction technique) in order to identify the clay mineralogy of Mukdadiya Formation of both clay and non-clay minerals. The results of non-clay minerals are: quartz, feldspar and carbonate (calcite and dolomite) minerals. The clay minerals are: montmorillonite, kaolinite, palygorskite, chlorite, and illite by the major basal reflections of each mineral. The origins of these minerals are deduced also.

Keywords: Mukdadiya Formation, mudstone, clay minerals, XRD, Shewasoor

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