Search results for: cubic

Authors: Sang Wook Park, Jun Su Park, Byung Kwan Oh, Yousok Kim, Hyo Seon Park

Abstract:

This study suggests the estimation method of stress distribution for the beam structures based on TLS (Terrestrial Laser Scanning). The main components of method are the creation of the lattices of raw data from TLS to satisfy the suitable condition and application of CSSI (Cubic Smoothing Spline Interpolation) for estimating stress distribution. Estimation of stress distribution for the structural member or the whole structure is one of the important factors for safety evaluation of the structure. Existing sensors which include ESG (Electric strain gauge) and LVDT (Linear Variable Differential Transformer) can be categorized as contact type sensor which should be installed on the structural members and also there are various limitations such as the need of separate space where the network cables are installed and the difficulty of access for sensor installation in real buildings. To overcome these problems inherent in the contact type sensors, TLS system of LiDAR (light detection and ranging), which can measure the displacement of a target in a long range without the influence of surrounding environment and also get the whole shape of the structure, has been applied to the field of structural health monitoring. The important characteristic of TLS measuring is a formation of point clouds which has many points including the local coordinate. Point clouds is not linear distribution but dispersed shape. Thus, to analyze point clouds, the interpolation is needed vitally. Through formation of averaged lattices and CSSI for the raw data, the method which can estimate the displacement of simple beam was developed. Also, the developed method can be extended to calculate the strain and finally applicable to estimate a stress distribution of a structural member. To verify the validity of the method, the loading test on a simple beam was conducted and TLS measured it. Through a comparison of the estimated stress and reference stress, the validity of the method is confirmed.

Keywords: structural healthcare monitoring, terrestrial laser scanning, estimation of stress distribution, coordinate transformation, cubic smoothing spline interpolation

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Authors: E. Ateia, L. M. Salah, A. H. El-Bassuony

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Physical properties of nanocrystalline Ni1-xZnxCryFe2-yO4, (x=0.3, 0.5 and y=0.0, 0.1) with estimated crystallite size of 16.4 nm have been studied. XRD pattern of all prepared systems shows that, the nanosamples without Cr3+ have a cubic spinel structure with the appearance of small peaks designated as a secondary phase. Magnetic constants such as saturation magnetization, (MS) remanent magnetization (Mr) and coercive field (Hc) were obtained and reported. The obtained data shows that, the addition of Cr3+ (0.1mol) decreases the saturation magnetization. This is due to the decrease of magnetic moment of Cr3+ ion (3.0 μB) with respect to Fe3+ ion (5.85 μB). The electrical properties of the investigated samples were also investigated.

Keywords: electrical conductivity, ferrites, grain size, sintering

Procedia PDF Downloads 256

Authors: Kanda Wongwailikhit

Abstract:

Copper (I) oxide microparticles with the morphology of cubic and hollow sphere were synthesized with the assistance of a surfactant as the shape controller. Both particles were then subjected to a study of the catalytic activity and the results of shape effects of catalysts on rate of catalytic reaction was observed. The decolorizing reaction of crystal violet and sodium hydroxide was chosen and the decrease of reactant with respect to time was measured using a spectrophotometer. The result revealed that morphology of the crystal had no effect on the catalytic activity for the crystal violet reaction but contributed to total surface area predominantly.

Keywords: copper (I) oxide, catalytic activity, crystal violet

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Authors: M. Vadivel, R. Ramesh Babu

Abstract:

Spinel ferrite magnetic nanomaterials have received a great deal of attention in recent years due to their wide range of potential applications in various fields such as magnetic data storage and microwave device applications. Among the family of spinel ferrites, cobalt ferrite (CoFe2O4) has been widely used in the field of high-frequency applications because of its remarkable material qualities such as moderate saturation magnetization, high coercivity, large permeability at higher frequency and high electrical resistivity. For aforementioned applications, the materials should have an improved electrical property, especially enhancement in the dielectric properties. It is well known that the substitution of rare earth metal cations in Fe3+ site of CoFe2O4 nanoparticles leads to structural distortion and thus significantly influences the structural and morphological properties whereas greatly modifies the electrical and magnetic properties of a material. In the present investigation, we report on the influence of lanthanum (La3+) ion substitution on the structural, morphological, dielectric and magnetic properties of CoFe2O4 magnetic nanoparticles prepared by co-precipitation method. Powder X-ray diffraction patterns reveal the formation of inverse cubic spinel structure with the signature of LaFeO3 phase at higher La3+ ion concentrations. Raman and Fourier transform infrared spectral analysis also confirms the formation of inverse cubic spinel structure and Fe-O symmetrical stretching vibrations of CoFe2O4 nanoparticles, respectively. Transmission electron microscopy study reveals that the size of the particles gradually increases with increasing La3+ ion concentrations whereas the agglomeration gets slightly reduced for La3+ ion substituted CoFe2O4 nanoparticles than that of undoped CoFe2O4 nanoparticles. Dielectric properties such as dielectric constant and dielectric loss were recorded as a function of frequency and temperature which reveals that the dielectric constant gradually increases with increasing temperatures as well as La3+ ion concentrations. The increased dielectric constant might be the reason that the formation of LaFeO3 secondary phase at higher La3+ ion concentrations. Magnetic measurement demonstrates that the saturation magnetization gradually decreases from 61.45 to 25.13 emu/g with increasing La3+ ion concentrations which is due to the nonmagnetic nature of La3+ ions substitution.

Keywords: cobalt ferrite, co-precipitation, dielectric properties, saturation magnetization

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Authors: Rekab Djabri Hamza, Daoud Salah

Abstract:

We report first-principles calculations of structural and magnetic properties of TmAs compound in zinc blende(B3) and CsCl(B2), structures employing the density functional theory (DFT) within the local density approximation (LDA). We use the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the LMTART-MINDLAB code (Calculation). Results are given for lattice parameters (a), bulk modulus (B), and its first derivatives(B’) in the different structures NaCl (B1) and CsCl (B2). The most important result in this work is the prediction of the possibility of transition; from cubic rocksalt (NaCl)→ CsCl (B2) (32.96GPa) for TmAs. These results use the LDA approximation.

Keywords: LDA, phase transition, properties, DFT

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Authors: Misbah Irshad, Faiza Sarfraz

Abstract:

The problem of approximating surface to surface intersection is considered to be very important in computer aided geometric design and computer aided manufacturing. Although it is a complex problem to handle, its continuous need in the industry makes it an active topic in research. A technique for approximating intersection curves of two parametric surfaces is proposed, which extracts boundary points and turning points from a sequence of intersection points and interpolate them with the help of rational cubic spline functions. The proposed approach is demonstrated with the help of examples and analyzed by calculating error.

Keywords: approximation, parametric surface, spline function, surface intersection

Procedia PDF Downloads 233

Authors: Uma Shanker, Vidhisha Jassal

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A novel green route was used to synthesize few metal hexacyanoferrates (FeHCF, NiHCF, CoHCF and CuHCF) nanoparticles using Sapindus mukorossias a natural surfactant and water as a solvent. The synthesized nanoparticles were characterized by Powder X-ray diffraction (PXRD), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR) and Thermo gravimetric techniques. Trasmission electron microscopic images showed that synthesized MHCF nanoparticles exhibited cubic and spherical shapes with exceptionally small sizes ranging from 3nm - 186 nm.

Keywords: metal hexacyanoferrates, natural surfactant, Sapindus mukorossias, nanoparticles

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Authors: Albert Kwabena Osei Konadu

Abstract:

Pterocarpus erinaceus, also known as Rosewood, is tropical wood, endemic in forest savannah transition zones within the middle and northern portion of Ghana. Its economic viability has made it increasingly popular and in high demand, leading to widespread conservation concerns. Ghana’s forest resource management regime for these ecozones is mainly on conservation and very little on resource utilization. Consequently, commercial logging management standards are at teething stage and not fully developed, leading to a deficiency in the monitoring of logging operations and quantification of harvested trees volumes. Tree information form (TIF); a volume estimation and tracking regime, has proven to be an effective, sustainable management tool for regulating timber resource extraction in the high forest zones of the country. This work aims to generate TIF that can track and capture requisite parameters to accurately estimate the volume of harvested rosewood within forest savannah transition zones. Tree information forms were created on three scenarios of individual billets, stacked billets and conveying vessel basis. These TIFs were field-tested to deduce the most viable option for the tracking and estimation of harvested volumes of rosewood using the smallian and cubic volume estimation formula. Overall, four districts were covered with individual billets, stacked billets and conveying vessel scenarios registering mean volumes of 25.83m3,45.08m3 and 32.6m3, respectively. These adduced volumes were validated by benchmarking to assigned volumes of the Forestry Commission of Ghana and known standard volumes of conveying vessels. The results did indicate an underestimation of extracted volumes under the quotas regime, a situation that could lead to unintended overexploitation of the species. The research revealed conveying vessels route is the most viable volume estimation and tracking regime for the sustainable management of the Pterocarpous erinaceus species as it provided a more practical volume estimate and data extraction protocol.

Keywords: convention on international trade in endangered species, cubic volume formula, forest transition savannah zones, pterocarpus erinaceus, smallian’s volume formula, tree information form

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Authors: M. Tabatabaee, N. Binavayan, M. R. Nateghi

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In this research nano-size of yttrium aluminum garnet (YAG) containing lanthanide metals was synthesized by the sol-gel method in presente citric acid as a complexing agent. Samarium (III) was used to synthesis of YAG:M3+. The prepared powders were characterized by powder X-ray diffraction (PXRD). The size distribution and morphology of the samples were analyzed by scanning electron microscopy (SEM). XRD results show that Sm, La, and ce doped YAG crystallizes in the cubic system and additional peaks compared to pure YAG can be assigned to the presence of Sm in the synthesize YAG. The SEM images show possess spherical nano-sized particle with average 50 nm in diameter.

Keywords: citric acid, nano particle, samarium, yttrium aluminum garnet

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Authors: M. Harmel, H. Khachai

Abstract:

The first principles within the full potential linearized augmented plane wave (FP-LAPW) method were applied to study the structural and electronic properties of cubic perovskite-type compounds BiAlO3 and BiGaO3. The lattice constant, bulk modulus, its pressure derivative, band structure and density of states were obtained. The results show that BiGaO3 should exhibit higher hardness and stiffness than BiAlO3. The Al–O or Ga–O bonds are typically covalent with a strong hybridization as well as Bi–O ones that have a significant ionic character. Both materials are weakly ionic and exhibit wide and indirect band gaps, which are typical of insulators.

Keywords: DFT, Ab initio, electronic structure, Perovskite structure, ferroelectrics

Procedia PDF Downloads 375

Authors: Sherif M. A. S. Keshk, Hisham S. M. Abd-Rabboh, Mohamed S. Hamdy, Ibrahim H. A. Badr

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Microwave radiation was applied to synthesize nanoparticles of nickel oxide supported on pretreated cellulose with metal acetate in the presence of NaOH. Optimization, in terms of irradiation time and metal concentration, was investigated. FT-IR spectrum of cellulose/NiO spectrum shows a band at 445 cm^-1 that is related to the Ni–O stretching vibration of NiO6 octahedral in the cubic NiO structure. cellulose/NiO showed similar XRD pattern of cellulose I and exhibited sharpened reflection peak at 2q = 29.8°, corresponding to (111) plane of NiO, with two weak broad peaks at 48.5°, and 49.2°, representing (222) planes of NiO. XPS spectrum of mercerized cellulose/NiO composite showed did not show any peaks corresponding to Na ion.

Keywords: cellulose, mercerized cellulose, cellulose/zinc and nickeloxides composite, FTIR, XRD, XPS, SEM, Raman spectrum

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Authors: Sabit Horoz, Ahmet Ekicibil, Omer Sahin, M. Akyol

Abstract:

In this study, CdZnS and Ni-doped CdZnS quantum dots(QDs) were prepared by the wet-chemical method at room temperature using mercaptoethanol as a capping agent. The structural and magnetic properties of the CdZnS and CdZnS doped with different concentrations of Ni QDs were examined by XRD and magnetic susceptibility measurements, respectively. The average particles size of cubic QDs obtained by full-width half maxima (FWHM) analysis, increases with increasing doping concentrations. The investigation of the magnetic properties showed that the Ni-doped samples exhibit signs of ferromagnetism, on the other hand, un-doped CdZnS is diamagnetic.

Keywords: un-doped and Ni doped CdZnS Quantum Dots (QDs), co-precipitation method, structural and optical properties of QDs, diluted magnetic semiconductor materials (DMSMs)

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Authors: B. Gueridi, T. Chihi, M. Fatmi, A. Faci

Abstract:

Some fundamental physical properties of BiGaO₃ were investigated under pressure and temperature effect using generalized gradient approximation and local density approximation approaches. The effect of orientation on Debye temperature and sound waves velocities were estimated from elastic constants. The value of the bulk modulus of BiGaO₃ is a sign of its high hardness because it is linked to an isotropic deformation. BiGaO₃ is a semiconductor and ductile material with covalent bonding (Ga–O), and the Bi-O bonding is ionic. The optical transitions were observed when electrons pass from the top of the valence band (O-2p) to the bottom of the conduction band (Ga-4p or Bi-6p). The thermodynamic parameters are determined in temperature and pressure ranging from 0 to 1800 K and 0 to 50 GPa.

Keywords: BiGaO₃ perovskite, optical absorption, first principle, band structure

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Authors: H. Triki, Y. Hamaizi, A. El-Akrmi

Abstract:

We consider the higher order nonlinear Schrödinger equation model with fourth-order dispersion, cubic-quintic terms, and self-steepening. This equation governs the propagation of fem to second pulses in optical fibers. We present new bright and dark solitary wave type solutions for such a model under certain parametric conditions. This kind of solution may be useful to explain some physical phenomena related to wave propagation in a nonlinear optical fiber systems supporting high-order nonlinear and dispersive effects.

Keywords: nonlinear Schrödinger equation, high-order effects, soliton solution

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Authors: Justice Zakhele Msomi

Abstract:

Nanoparticles of CdFe2O4 with particle size of about 10 nm have been synthesized by high energy ball milling and co-precipitation processes. The synthesis route appears to have some effects on the properties. The compounds have been characterized by X-ray diffraction, Fourier Transform Infrared (FTIR), transmission electron microscopy (TEM), Mössbauer and magnetization measurements. The XRD pattern of CdFe2O4 provides information about single-phase formation of spinel structure with cubic symmetry. The FTIR measurements between 400 and 4000 cm-1 indicate intrinsic cation vibration of the spinel structure. The Mössbauer spectra were recorded at 4 K and 300 K. The hyperfine fields appear to be highly sensitive on particle size. The evolution of the properties as a function of particle size is also presented.

Keywords: ferrite, nanoparticles, magnetization, Mössbauer

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Authors: Josef Brychta, Jiri Kratochvil, Marek Pagac

Abstract:

The group of progressive cutting materials can include non-traditional, emerging and less-used materials that can be an efficient use of cutting their lead to a quantum leap in the field of machining. This is essentially a “superhard” materials (STM) based on polycrystalline diamond (PCD) and polycrystalline cubic boron nitride (PCBN) cutting performance ceramics and development is constantly "perfecting" fine coated cemented carbides. The latter cutting materials are broken down by two parameters, toughness and hardness. A variation of alloying elements is always possible to improve only one of each parameter. Reducing the size of the core on the other hand doing achieves "contradictory" properties, namely to increase both hardness and toughness.

Keywords: grained cutting materials difficult to machine materials, optimum utilization, mechanic, manufacturing

Procedia PDF Downloads 268

Authors: Albert Kwabena Osei Konadu

Abstract:

One of the endemic forest species of the savannah transition zones enlisted by the Convention of International Treaty for Endangered Species (CITES) in Appendix II is the Rosewood, also known as Pterocarpus erinaceus or Krayie. Its economic viability has made it increasingly popular and in high demand. Ghana’s forest resource management regime for these ecozones is mainly on conservation and very little on resource utilization. Consequently, commercial logging management standards are at teething stage and not fully developed, leading to a deficiency in the monitoring of logging operations and quantification of harvested trees volumes. Tree information form (TIF); a volume estimation and tracking regime, has proven to be an effective sustainable management tool for regulating timber resource extraction in the high forest zones of the country. This work aims to generate TIF that can track and capture requisite parameters to accurately estimate the volume of harvested rosewood within forest savannah transition zones. Tree information forms were created on three scenarios of individual billets, stacked billets and conveying vessel basis. The study was limited by the usage of regulators assigned volume as benchmark and also fraught with potential volume measurement error in the stacked billet scenario due to the existence of spaces within packed billets. These TIFs were field-tested to deduce the most viable option for the tracking and estimation of harvested volumes of rosewood using the smallian and cubic volume estimation formula. Overall, four districts were covered with individual billets, stacked billets and conveying vessel scenarios registering mean volumes of 25.83m3,45.08m3 and 32.6m3, respectively. These adduced volumes were validated by benchmarking to assigned volumes of the Forestry Commission of Ghana and known standard volumes of conveying vessels. The results did indicate an underestimation of extracted volumes under the quotas regime, a situation that could lead to unintended overexploitation of the species. The research revealed conveying vessels route is the most viable volume estimation and tracking regime for the sustainable management of the Pterocarpous erinaceus species as it provided a more practical volume estimate and data extraction protocol.

Keywords: cubic volume formula, smallian volume formula, pterocarpus erinaceus, tree information form, forest transition and savannah zones, harvested tree volume

Procedia PDF Downloads 13

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

Abstract:

We performed first-principle calculations, the full-potential linearized augmented plane wave (FP-LAPW) method is used to calculate structural, optoelectronic and magnetic properties of cubic halide perovskites CsPbX3 (X= F,I). We employed for this study the GGA approach and for exchange is modeled using the modified Becke-Johnson (mBJ) potential to predicting the accurate band gap of these materials. The optical properties (namely: the real and imaginary parts of dielectric functions, optical conductivities and absorption coefficient absorption make this halide perovskites promising materials for solar cells applications.

Keywords: halide perovskites, mBJ, solar cells, FP-LAPW, optoelectronic properties, absorption coefficient

Procedia PDF Downloads 289

Authors: Veronique Jubera, Ka-Young Kim, U-Chan Chung, Amelie Veillere, Jean-Marc Heintz

Abstract:

Emitting materials and all solid state lasers are widely used in the field of optical applications and materials science as a source of excitement, instrumental measurements, medical applications, metal shaping etc. Recently promising optical efficiencies were recorded on ceramics which result from a cheaper and faster ways to obtain crystallized materials. The choice and optimization of the sintering process is the key point to fabricate transparent ceramics. It includes a high control on the preparation of the powder with the choice of an adequate synthesis, a pre-heat-treatment, the reproducibility of the sintering cycle, the polishing and post-annealing of the ceramic. The densification is the main factor needed to reach a satisfying transparency, and many technologies are now available. The symmetry of the unit cell plays a crucial role in the diffusion rate of the material. Therefore, the cubic symmetry compounds having an isotropic refractive index is preferred. The cubic Y3NbO7 matrix is an interesting host which can accept a high concentration of rare earth doping element and it has been demonstrated that SPS is an efficient way to sinter this material. The optimization of diffusion losses requires a microstructure of fine ceramics, generally less than one hundred nanometers. In this case, grain growth is not an obstacle to transparency. The ceramics properties are then isotropic thereby to free-shaping step by orienting the ceramics as this is the case for the compounds of lower symmetry. After optimization of the synthesis route, several SPS parameters as heating rate, holding, dwell time and pressure were adjusted in order to increase the densification of the Eu3+ doped Y3NbO7 pellets. The luminescence data coupled with X-Ray diffraction analysis and electronic diffraction microscopy highlight the existence of several distorted environments of the doping element in the studied defective fluorite-type host lattice. Indeed, the fast and high crystallization rate obtained to put in evidence a lack of miscibility in the phase diagram, being the final composition of the pellet driven by the ratio between niobium and yttrium elements. By following the luminescence properties, we demonstrate a direct impact on the SPS process on this material.

Keywords: emission, niobate of rare earth, Spark plasma sintering, lack of miscibility

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Authors: Chetra Mang, Ahmadali Tahmasebimoradi, Xavier Lorang

Abstract:

Lattice structures are widely used in various applications, especially in aeronautic, aerospace, and medical applications because of their high performance properties. Thanks to advancement of the additive manufacturing technology, the lattice structures can be manufactured by different methods such as laser beam melting technology. However, the presence of geometric defects in the lattice structures is inevitable due to the manufacturing process. The geometric defects may have high impact on the mechanical strength of the structures. This work analyzes the correlation between the manufacturing parameters and the mechanical strengths of the lattice structures. To do that, two types of the lattice structures; body-centered cubic with z-struts (BCCZ) structures made of Inconel718, and body-centered cubic (BCC) structures made of Scalmalloy, are manufactured by laser melting beam machine using Taguchi design of experiment. Each structure is placed on the substrate with a specific position and orientation regarding the roller direction of deposed metal powder. The position and orientation are considered as the manufacturing parameters. The geometric defects of each beam in the lattice are characterized and used to build the geometric model in order to perform simulations. Then, the mechanical strengths are defined by the homogeneous response as Young's modulus and yield strength. The distribution of mechanical strengths is observed as a function of manufacturing parameters. The mechanical response of the BCCZ structure is stretch-dominated, i.e., the mechanical strengths are directly dependent on the strengths of the vertical beams. As the geometric defects of vertical beams are slightly changed based on their position/orientation on the manufacturing substrate, the mechanical strengths are less dispersed. The manufacturing parameters are less influenced on the mechanical strengths of the structure BCCZ. The mechanical response of the BCC structure is bending-dominated. The geometric defects of inclined beam are highly dispersed within a structure and also based on their position/orientation on the manufacturing substrate. For different position/orientation on the substrate, the mechanical responses are highly dispersed as well. This shows that the mechanical strengths are directly impacted by manufacturing parameters. In addition, this work is carried out to study the uncertainty propagation of the geometric defects on the mechanical strength of the BCC lattice structure made of Scalmalloy. To do that, we observe the distribution of mechanical strengths of the lattice according to the distribution of the geometric defects. A probability density law is determined based on a statistical hypothesis corresponding to the geometric defects of the inclined beams. The samples of inclined beams are then randomly drawn from the density law to build the lattice structure samples. The lattice samples are then used for simulation to characterize the mechanical strengths. The results reveal that the distribution of mechanical strengths of the structures with the same manufacturing parameters is less dispersed than one of the structures with different manufacturing parameters. Nevertheless, the dispersion of mechanical strengths due to the structures with the same manufacturing parameters are unneglectable.

Keywords: geometric defects, lattice structure, mechanical strength, uncertainty propagation

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Authors: Rahmat Ali, Beenish Khan, Aftabullah, Abid A. Shah

Abstract:

This research is an attempt to investigate the wide range of events using acoustic emission (AE) sensors of the concrete cubes subjected to different stress condition loading and unloading of concrete cubes. A total of 27 specimens were prepared and tested including 18 cubic (6”x6”x6”) and nine cylindrical (4”x8”) specimens were molded from three batches of concrete using w/c of 0.40, 0.50, and 0.60. The compressive strength of concrete was determined from concrete cylinder specimens. The deterioration of concrete was evaluated using the occurrence of felicity and Kaiser effects at each stress condition. It was found that acoustic emission hits usually exceeded when damage increases. Additionally, the correlation between AE techniques and the load applied were determined by plotting the normalized values. The influence of w/c on sensitivity of the AE technique in detecting concrete damages was also investigated.

Keywords: acoustic emission, concrete, felicity ratio, sensors

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Authors: N. Kazantseva, P. Krakhmalev, I. Yadroitsev, A. Fefelov, N. Vinogradova, I. Ezhov, T. Kurennykh

Abstract:

Martensitic texture-phase transition in Selective Laser Melting (SLM) Ti-6Al-4V (ELI) alloys was found. Electron Backscatter Diffraction (EBSD) analysis showed the initial cubic beta < 100 > (001) BCC texture. Such kind of texture is observed in BCC metals with flat rolling texture when axis is in the direction of rolling and the texture plane coincides with the plane of rolling. It was found that the texture of the parent BCC beta-phase determined the texture of low-temperature HCP alpha-phase limited the choice of its orientation variants. The {10-12} < -1011 > twinning system in titanium alloys after SLM was determined. Analysis of the oxygen contamination in SLM alloys was done. Comparison of the obtained results with the conventional titanium alloys is also provided.

Keywords: additive technology, texture, twins, Ti-6Al-4V, oxygen content

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Authors: Dyah Purwaningsih, Roto Roto, Hari Sutrisno

Abstract:

Manganese dioxide (MnO₂) and its derivatives are among the most widely used materials for the positive electrode in both primary and rechargeable lithium batteries. The MnO₂ derivative compound of LiMₓMn₂₋ₓO₄ (M: Co, Ni, Cr) is one of the leading candidates for positive electrode materials in lithium batteries as it is abundant, low cost and environmentally friendly. Over the years, synthesis of LiMₓMn₂₋ₓO₄ (M: Co, Ni, Cr) has been carried out using various methods including sol-gel, gas condensation, spray pyrolysis, and ceramics. Problems with these various methods persist including high cost (so commercially inapplicable) and must be done at high temperature (environmentally unfriendly). This research aims to: (1) synthesize LiMₓMn₂₋ₓO₄ (M: Co, Ni, Cr) by reflux technique; (2) develop microstructure analysis method from XRD Powder LiMₓMn₂₋ₓO₄ data with the two-stage method; (3) study the electrical conductivity of LiMₓMn₂₋ₓO₄. This research developed the synthesis of LiMₓMn₂₋ₓO₄ (M: Co, Ni, Cr) with reflux. The materials consisting of Mn(CH₃COOH)₂. 4H₂O and Na₂S₂O₈ were refluxed for 10 hours at 120°C to form β-MnO₂. The doping of Co, Ni and Cr were carried out using solid-state method with LiOH to form LiMₓMn₂₋ₓO₄. The instruments used included XRD, SEM-EDX, XPS, TEM, SAA, TG/DTA, FTIR, LCR meter and eight-channel battery analyzer. Microstructure analysis of LiMₓMn₂₋ₓO₄ was carried out on XRD powder data by two-stage method using FullProf program integrated into WinPlotR and Oscail Program as well as on binding energy data from XPS. The morphology of LiMₓMn₂₋ₓO₄ was studied with SEM-EDX, TEM, and SAA. The thermal stability test was performed with TG/DTA, the electrical conductivity was studied from the LCR meter data. The specific capacity of LiMₓMn₂₋ₓO₄ as lithium battery cathode was tested using an eight-channel battery analyzer. The results showed that the synthesis of LiMₓMn₂₋ₓO₄ (M: Co, Ni, Cr) was successfully carried out by reflux. The optimal temperature of calcination is 750°C. XRD characterization shows that LiMn₂O₄ has a cubic crystal structure with Fd3m space group. By using the CheckCell in the WinPlotr, the increase of Li/Mn mole ratio does not result in changes in the LiMn₂O₄ crystal structure. The doping of Co, Ni and Cr on LiMₓMn₂₋ₓO₄ (x = 0.02; 0.04; 0; 0.6; 0.08; 0.10) does not change the cubic crystal structure of Fd3m. All the formed crystals are polycrystals with the size of 100-450 nm. Characterization of LiMₓMn₂₋ₓO₄ (M: Co, Ni, Cr) microstructure by two-stage method shows the shrinkage of lattice parameter and cell volume. Based on its range of capacitance, the conductivity obtained at LiMₓMn₂₋ₓO₄ (M: Co, Ni, Cr) is an ionic conductivity with varying capacitance. The specific battery capacity at a voltage of 4799.7 mV for LiMn₂O₄; Li₁.₀₈Mn₁.₉₂O₄; LiCo₀.₁Mn₁.₉O₄; LiNi₀.₁Mn₁.₉O₄ and LiCr₀.₁Mn₁.₉O₄ are 88.62 mAh/g; 2.73 mAh/g; 89.39 mAh/g; 85.15 mAh/g; and 1.48 mAh/g respectively.

Keywords: LiMₓMn₂₋ₓO₄, solid-state, reflux, two-stage method, ionic conductivity, specific capacity

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Authors: Abdelaziz Ghrib, Samir Hattali, Mouloud Ghrib, Mohamed Lamine Aouissia, David Ruch

Abstract:

In the present study, the solid solutions with a chemical composition of Zr0.8Y0.2-xLaxO2 (x=0, 0.1, 0.2) were synthesized via two routes, by hydrothermal method using NaOH as precipitating agent at 230°C for 15h and by the sol–gel process using citric acid as complexing agent. Compounds have been characterized by powder X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermo gravimetric Analysis (TGA) and Differential Thermal Analysis (DTA) techniques for appropriate characterization of the distinct thermal events occurring during synthesis. All the compounds crystallize in cubic fluorite structure, as indicated by X-ray diffraction studie. The microstructure of oxides synthesized by sol-gel showed porosity that increased with the lanthanum La3+ contents compared to hydrothermal method which gives a single crystal oxide.

Keywords: oxide, hydrothermal, rare earth, solubility, sol-gel, ternary mixture

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Authors: R. O. Ocaya, J. J. Terblans

Abstract:

The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Keywords: C language, molecular dynamics, simulation, embedded atom method

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Authors: Sapan Bhatnagar, Danish Akhtar, Salman Ahmed, Asif Ekbal, Gufran Beig

Abstract:

Particulates are the solid and liquid droplets present in the atmosphere, they have serious negative effects on human health and environment. PM10 and PM2.5 are so small that they can penetrate deep into our lungs through the respiratory system. Determination of the amount of particulates present in the atmosphere per cubic meter is necessary to monitor, regulate and model atmospheric particulate levels. Air Quality Index is an index tells us how clean or polluted our air is, and what associated health effects might be a concern for us. The AQI focuses on health affects you may experience within a few hours or days after breathing polluted air. The quality rating for each pollutant was calculated. The geometric mean of these quality ratings gives the Air Quality Index. The existing concentrations of pollutants were compared with ambient air quality standards.

Keywords: air quality index, particulate, respirable dust sampler, dust sampler

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Authors: B. Bahloul

Abstract:

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

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Authors: M. Farhaoui, M. Derraz

Abstract:

In the drinking water treatment processes, the optimization of the treatment is an issue of particular concern. In general, the process consists of many units as settling, coagulation, flocculation, sedimentation, filtration and disinfection. The optimization of the process consists of some measures to decrease the managing and monitoring expenses and improve the quality of the produced water. The objective of this study is to provide water treatment operators with methods and practices that enable to attain the most effective use of the facility and, in consequence, optimize the of the cubic meter price of the treated water. This paper proposes a review on optimization of drinking water treatment process by analyzing all of the water treatment units and gives some solutions in order to maximize the water treatment performances without compromising the water quality standards. Some solutions and methods are performed in the water treatment plant located in the middle of Morocco (Meknes).

Keywords: coagulation process, optimization, turbidity removal, water treatment

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Authors: Ebtesam. E. Ateia, L. M. Salah, A. H. El-Bassuony

Abstract:

The aim of the presented study was the possibility of developing a nanosized material with enhanced structural properties that was suitable for many applications. Nanostructure ferrite of composition Ni0.5 Zn0.5 Cr0.1 Fe1.9 O4 were prepared by sol–gel, co-precipitation, citrate-gel, flash and oxalate precursor methods. The Structural and micro structural analysis of the investigated samples were carried out. It was observed that the lattice parameter of cubic spinel was constant, and the positions of both tetrahedral and the octahedral bands had a fixed position. The values of the lattice parameter had a significant role in determining the stoichiometric cation distribution of the composition.The average crystalline sizes of the investigated samples were from 16.4 to 69 nm. Discussion was made on the basis of a comparison of average crystallite size of the investigated samples, indicating that the co-precipitation method was the the effective one in producing small crystallite sized samples.

Keywords: chemical preparation, ferrite, grain size, nanocomposites, sol-gel

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Authors: Yanal Abul Failat

Abstract:

The production of oil and natural gas from shale formations is becoming a trend, and many countries with technically and economically recoverable unconventional resources are endeavoring to explore how shale formations may benefit the economy and achieve energy security. The trajectory of shale gas development in the UK is highly supported by the government; in the Gas Generation Strategy Paper published by the UK government on 5 December 2013, it is recognized that the shale gas production would decrease reliance on imports and thus enhance the UK’s energy security. Moreover, the UK Institute of Directors report on UK Shale Gas Potential explains that in the UK there is a potential of production peaking at around 1.13 trillion cubic feet (“tcf”) and a sector that could support around 70,000 jobs and secure net benefit to the Treasury in tax revenues. On this basis, there has been a growing interest in the benefits of exploring the UK’s shale gas but a combination of technical challenges faced in shale gas operations, a stern opposition by environmentalists and concerns on the adequacy of the legal framework have slowed the progress of the emerging UK shale industry.

Keywords: shale gas, UK, legal, oil and gas, energy

Procedia PDF Downloads 682