Search results for: structure properties

Authors: Annisa Dewanti Putri, Wang Juan, Y. Qing Shan

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The structural assessment is one of a crucial part for ancient timber structure, in which this phase will be the reference for the maintenance and preservation phase. The mechanical properties of a structure are one of an important component of the structural assessment of building. Feiyun as one of the particular preserved building in China will become one of the Pioneer of Timber Structure Building Assessment. The 3-storey building which is located in Shanxi Province consists of complex ancient timber structure. Due to condition and preservation purpose, assessments (visual inspections, Non-Destructive Test and a Semi Non-Destructive test) were conducted. The stress wave measurement, moisture content analyzer, and the micro-drilling resistance meter data will overview the prediction of Mechanical Properties. As a result, the mechanical properties can be used for the next phase as reference for structural damage solutions.

Keywords: ancient structure, mechanical properties, non destructive test, stress wave, structural assessment, timber structure

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Authors: Hireni R. Mankodi, D. J. Chudasama

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The textile preforms play a key role in providing the mechanical properties and gives the idea about selection parameter of preforms to improve the quality and performance of laminates. The main objectives of this work are to study the effect of non-crimp fabric preform structure in final properties of laminates. It has been observed that the multi-axial preform give better mechanical properties of laminates as compared to woven and biaxial fabrics. This study investigated the effect of different non-crimp glass preform structure on tensile strength, bending and compression properties of glass laminates. The different woven, bi-axial and multi-axial fabrics with similar GSM used to manufacture the laminates using polyester resin. The structural and mechanical properties of preform and laminates were studied using standard methods. It has been observed that the glass fabric geometry, including type of weaves, warps and filling density and number of layer plays significant role in deciding mechanical properties of laminates.

Keywords: preform, non-crimp structure, laminates, bi-axial, multiaxial

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Authors: Manisha Kankarej

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The purpose of this paper is to show a relation between CR structure and F-structure satisfying polynomial equation. In this paper, we have checked the significance of CR structure and F-structure on Integrability conditions and Nijenhuis tensor. It was proved that all the properties of Integrability conditions and Nijenhuis tensor are satisfied by CR structures and F-structure satisfying polynomial equation.

Keywords: CR-submainfolds, CR-structure, integrability condition, Nijenhuis tensor

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Authors: Gong Kangming, Zhao Caiqi

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High-rise special-shaped structure, such as main frame structure of the statues, is one of the structure forms in irregular structure widely used. Due to the complex shape of the statue structure, with a large aspect ratio, its wind load value and the overall mechanical properties are very different from the high-rise buildings with the general rules. The paper taking a certain 48 meters high main frame structure of the statue located in Shuangyashan City, Heilongjiang Province, static and dynamic properties are analyzed by the finite element software. Through static and dynamic analysis, it got a number of useful conclusions that have a certain reference value for the analysis and design of the future similar structure.

Keywords: a Buddhism goddess Guanyin body, wind load, dynamic analysis, bolster, node design

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Authors: S. M. Hamidi, M. Zamani

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Magneto-plasmonic (MP) structures have turned into essential tools for the amplification of magneto-optical (MO) responses via the combination of MO activity and surface Plasmon resonance (SPR). Both the plasmonic and the MO properties of the resulting MP structure become interrelated because the SPR of the metallic medium. This interconnection can be modified the wave vector of surface plasmon polariton (SPP) in MP multilayer [1] or enhanced the MO activity [2- 3] and also modified the sensor responses [4]. There are several types of MP structures which are studied to enhance MO response in miniaturized configuration. In this paper, we propose a new MP structure based on the nano-metal grating and we investigate the MO and optical properties of this new structure. Our new MP structure fabricate by DC magnetron sputtering method and our home made MO experimental setup use for characterization of the structure.

Keywords: Magneto-plasmonic structures, magneto-optical effect, nano-garting

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Authors: Danny Manuel Calvo Velasco, Robert Sanchez Cano

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By using the transference matrix formalism, in this work, it is presented the study of the optical properties of the 1D graded structure, constructed by multiple bi-layers of dielectric and air, considering a redistribution of the material lengths following an arithmetic progression as a function of two parameters. It is presented a factorization for the transference matrices for the graded structure, which allows the interpretation of their optical properties in terms of the properties of simpler structures. It is shown that the graded structure presents new transmission peaks, which can be controlled by the parameter values located in frequencies for which a periodic system has a photonic bandgap. This result is extended to the case of a photonic crystal for which the unitary cell is the proposed graded structure, showing new transmission bands which are due to the multiple new sub-structures present in the system. Also, for the TE polarization, it is observed transmission bands' low frequencies which present low variation of its width and position with the incidence angle. It is expected that these results could guide a route in the design of new photonic devices.

Keywords: graded, material redistribution, photonic system, transference matrix

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Authors: M. Ibrir, S. Berri, S. Lakel, D. Maouche And Y. Medkour

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We have performed first-principle calculations of the structural, electronic and magnetic properties of KFeF3, KCoF3, KMnF3, KVF3, using full-potential linearized augmented plane-wave (FP-LAPW) scheme within GGA. Features such as the lattice constant, bulk modulus and its pressure derivative are reported. Also, we have presented our results of the band structure and the density of states. The magnetic moments of KFeF3, KCoF3, KMnF3, KVF3 compounds are in most came from the exchange-splitting of X-3d orbital.

Keywords: Ab initio calculations, electronic structure, magnetic materials

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Authors: Ying-Chieh Lee, Huei-Jyun Shih, Ting-Yang Wang, Christian Pithan

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This study focuses on the synthesis and characterization of Ca₀.₆Sr₀.₄₋ₓBaₓZrO₃ (x = 0.01, 0.04, 0.07, and 0.10) ceramics prepared via the solid-state method and sintered at 1450 °C. The impact of Sr substitution by Ba at the A-site of the perovskite structure on crystalline properties and microwave dielectric performance was investigated. The experimental results show the formation of a single-phase structure, Ca₀.₆₁₂Sr₀.₃₈₈ZrO₃(CSZ), across the entire range of x values. It is evident that the Ca₀.₆Sr₀.₃₉Ba₀.₀₁ZrO₃ ceramics exhibit the highest sintering density and the lowest porosity. These ceramics exhibit impressive dielectric properties, including a high permittivity of 28.38, low dielectric loss of 4.0×10⁻⁴, and a Q factor value of 22988 at 9~10GHz. The research reveals that the influences of Sr substitution by Ba in enhancing the microwave dielectric properties of Ca₀.₆₁₂Sr₀.₃₈₈ZrO₃ ceramics and the impedance curves clearly showed effects on the electrical properties.

Keywords: NPO dielectric material, (Ca₀.₆Sr₀.₄)ZrO₃, microwave 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: Y. Benmalem , A. Abbad, W. Benstaali, T. Lantri

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Density functional theory is used to investigate the.the structural, electronic, and magnetic properties of the cubic anti-perovskites InNNi3 and ZnNNi3. The structure of antiperovskite also called (perovskite-inverse) identical to the perovskite structure of the general formula ABX3, where A is a main group (III–V) element or a metallic element, B is carbon or nitrogen, and X is a transition metal, displays a wide range of interesting physical properties, such as giant magnetoresistance. Elastic and electronic properties were determined using generalized gradient approximation (GGA), and local spin density approximation (LSDA) approaches, ), as implemented in the Wien2k computer package. The results show that the two compounds are strong ductile and satisfy the Born-Huang criteria, so they are mechanically stable at normal conditions. Electronic properties show that the two compounds studied are metallic and non-magnetic. The studies of these compounds have confirmed the effectiveness of the two approximations and the ground-state properties are in good agreement with experimental data and theoretical results available.

Keywords: anti-perovskites, elastic anisotropy, electronic band structure, first-principles calculations

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Authors: Lucas Viani, Benedetta Mennucci, Soo Young Park, Johannes Gierschner

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Organic semiconductors have attracted the attention of the scientific community in the past decades due to their unique physicochemical properties, allowing new designs and alternative device fabrication methods. Until today, organic electronic devices are largely based on conjugated polymers mainly due to their easy processability. In the recent years, due to moderate ET and CT efficiencies and the ill-defined nature of polymeric systems the focus has been shifting to small conjugated molecules with well-defined chemical structure, easier control of intermolecular packing, and enhanced CT and ET properties. It has led to the synthesis of new small molecules, followed by the growth of their crystalline structure and ultimately by the device preparation. This workflow is commonly followed without a clear knowledge of the ET and CT properties related mainly to the macroscopic systems, which may lead to financial and time losses, since not all materials will deliver the properties and efficiencies demanded by the current standards. In this work, we present a theoretical workflow designed to predict the key properties of ET of these new materials prior synthesis, thus speeding up the discovery of new promising materials. It is based on quantum mechanical, hybrid, and classical methodologies, starting from a single molecule structure, finishing with the prediction of its packing structure, and prediction of properties of interest such as static and averaged excitonic couplings, and exciton diffusion length.

Keywords: organic semiconductor, organic crystals, energy transport, excitonic couplings

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Authors: Meriem Harmel, Houari Khachai

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We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

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Authors: T. Pathinathan, M. Peter

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Fuzzy graphs incorporate concepts from graph theory with fuzzy principles. In this paper, we make a study on the properties of fuzzy graphs which are non-cyclic and are of two-dimensional in structure. In particular, this paper presents 2D structure or the structure of double layer for a non-cyclic fuzzy graph whose underlying crisp graph is non-cyclic. In any graph structure, introducing 2D structure may lead to an inherent cycle. We propose relevant conditions for 2D structured non-cyclic fuzzy graphs. These conditions are extended even to fuzzy graphs of the 3D structure. General theoretical properties that are studied for any fuzzy graph are verified to 2D structured or double layered fuzzy graphs. Concepts like Order, Degree, Strong and Size for a fuzzy graph are studied for 2D structured or double layered non-cyclic fuzzy graphs. Using different types of fuzzy graphs, the proposed concepts relating to 2D structured fuzzy graphs are verified.

Keywords: double layered fuzzy graph, double layered non–cyclic fuzzy graph, order, degree and size

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Authors: M. Simchi, M. Amiri, E. Rezvani, I. Mirzaei, M. Berahman, A. Simchi, M. Fardmanesh

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Graphene is a single-atomic two-dimensional crystal of carbon atoms that has considerable properties due to its unique structure and physics with applications in different fields. Graphene has sensitive electrical properties due to its atomic-thin structure. Along with the substrate materials and their influence on the transport properties in graphene, design and fabrication of graphene-based devices for biomedical and biosensor applications are challenging. In this work, large-area high-quality graphene nanosheets were prepared by low pressure chemical vapor deposition using methane gas as carbon source on copper foil and transferred on the biocompatible substrates. Through deposition of titanium and gold contacts, current-voltage response of the transferred graphene on four biocompatible substrates, including PDMS, SU-8, Nitrocellulose, and Kapton (Fig. 2) were experimentally determined. The considerable effect of the substrate type on the electrical properties of graphene is shown. The sheet resistance of graphene is changed from 0.34 to 14.5 kΩ/sq, depending on the substrate.

Keywords: biocompatible substrates, electrical properties, graphene, sheet resistance

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Authors: S. Perera, T. R. Walsh, M. Solvang

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The structure-property relationships of calcium aluminosilicate (CAS) glass surfaces are of scientific and technological interest regarding dissolution phenomena. Molecular dynamics (MD) simulations can provide atomic-scale insights into the structure and properties of the CAS interfaces in vacuo as the first step to conducting computational dissolution studies on CAS surfaces. However, one limitation to date is that although the bulk properties of CAS glasses have been well studied by MD simulation, corresponding efforts on CAS surface properties are relatively few in number (both theoretical and experimental). Here, a systematic computational protocol to create CAS surfaces in vacuo is developed by evaluating the sensitivity of the resultant surface structure with respect to different factors. Factors such as the relative thickness of the surface layer, the relative thickness of the bulk region, the cooling rate, and the annealing schedule (time and temperature) are explored. Structural features such as ring size distribution, defect concentrations (five-coordinated aluminium (AlV), non-bridging oxygen (NBO), and tri-cluster oxygen (TBO)), and linkage distribution are identified as significant features in dissolution studies.

Keywords: MD simulation, CAS glasses, surface structure, structure-property, CAS interface

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Authors: Serkan Caliskan

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The aim of this study is to understand the spin-resolved properties of ZnO armchair and zigzag nanoribbons. The spin polarization can be induced by either geometry of the nanoribbons or ferromagnetic electrodes. Hence, spin-dependent behavior is revealed in these nanostructures in the absence of external magnetic field. Both electronic structure and magnetic properties of the nanoribbons are analyzed, employing first-principles calculations through Density Functional Theory. The relevant properties using the spin-dependent band structure, conductance, transmission, density of states and magnetic moment are elucidated. These results can be utilized to describe the nanoscale structures and stimulate the experimental works.

Keywords: first principles, spin polarized transport, ZnO device, ZnO nanoribbons

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Authors: N. N. Orlova, A. S. Aronin, Yu. P. Kabanov, S. I. Bozhko, V. S. Gornakov

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We have investigated the change of the magnetic structure and the hysteresis properties of iron-based microwires after decreasing levels of internal mechanical stresses. The magnetic structure was investigated by the method of magneto-optical indicator film and the method of magnetic force microscopy. The hysteresis properties were studied by the vibrating sample magnetometer. The stresses were decreased by removing the glass coat and/or by low-temperature isothermal annealing. Previously, the authors carried out experimentally investigation of the magnetic structure of Fe-based microwire using these methods. According to the obtained results the domain structure of a microwire with a positive magnetostriction is composed of the inner cylindrical domains with the magnetization along the wire axis and the surface layer of the ring shape domains with the radial direction of magnetization. Surface ring domains with opposite magnetization direction (i.e., to the axis or from the axis) alternate with each other. For the first time the size of magnetic domains was determined experimentally. In this study it was found that in the iron-based microwires the value of the coercive force can be reduce more than twice by decreasing levels of internal mechanical stresses. Decrease of the internal stress value by the relaxation annealing influence on the magnetic structure. So in the as-prepared microwires observed local deviations of the magnetization of the magnetic core domains from the axis of the wire. After low-temperature annealing the local deviations of magnetization is not observed.

Keywords: amorphous microwire, magnetic structure, internal stress, hysteresis properties, ferromagnetic

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Authors: H. Baltache, M. El Amine. Monir, R. Khenata, D. Rached, T. Seddik

Abstract:

The first principles calculations based on the density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) in order to investigate the structural and electronic properties of Cd1-xVxS alloy at x = 0.25 in zincblende structure. For the structural properties, we have calculated the equilibrium lattice parameters, such as lattice constant, bulk modulus and first pressure derivatives of the bulk modulus. From the electronic structure, we obtain that Cd0.75V0.25S alloy is nearly half-metallic. The analysis of the density of states (DOS) curves allow to evaluate the spin-exchange splitting energies Δx(d) and Δx(pd) that are generated by V-3d states, where the effective potential for spin-down case is attractive than for spin-up case. Calculations of the exchange constants N0α (valence band) and N0β (conduction band) are served to describe the magnetic behavior of the compounds.

Keywords: first-principles calculations, structural properties, electronic properties

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Authors: X. L. Zhou, S. Tunmee, I. Toda, K. Komatsu, S. Ohshio, H. Saitoh

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Hydrogenated amorphous carbon (a-C:H) films have been synthesized by a radio frequency plasma enhanced chemical vapor deposition (rf-PECVD) technique with different bias voltage from 0.0 to -0.5 kV. The Raman spectra displayed the polymer-like hydrogenated amorphous carbon (PLCH) film with 0.0 to -0.1 and a-C:H films with -0.2 to -0.5 kV of bias voltages. The surface chemical information of all films were studied by X-ray photo electron spectroscopy (XPS) technique, presented to C-C (sp2 and sp3) and C-O bonds, and relative carbon (C) and oxygen (O) atomics contents. The O contamination had affected on structure and optical properties. The true density of PLCH and a-C:H films were characterized by X-ray refractivity (XRR) method, showed the result as in the range of 1.16-1.73 g/cm3 that depending on an increasing of bias voltage. The hardness was proportional to the true density of films. In addition, the optical properties i.e. refractive index (n) and extinction coefficient (k) of these films were determined by a spectroscopic ellipsometry (SE) method that give formation to in 1.62-2.10 (n) and 0.04-0.15 (k) respectively. These results indicated that the optical properties confirmed the Raman results as presenting the structure changed with applied bias voltage increased.

Keywords: negative bias voltage, a-C:H film, oxygen contamination, optical properties

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Authors: Arvind Mittal, Rajesh Gupta

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Influence of heat input on the micro structure and mechanical properties of shield metal arc welded of duplex stainless steel UNSNO.S-31803 has been investigated. Three heat input combinations designated as low heat (0.675 KJ/mm), medium heat (0.860 KJ/mm) and high heat (1.094 KJ/mm) and weld joints made using these combinations were subjected to micro structural evaluations and tensile and impact testing so as to analyze the effect of thermal arc energy on the micro structure and mechanical properties of these joints. The result of this investigation shows that the joints made using low heat input exhibited higher tensile strength than those welded with medium and high heat input. Heat affected zone of welded joint made with medium heat input has austenitic ferritic grain structure with some patchy austenite provide high toughness. Significant grain coarsening was observed in the heat affected zone (HAZ) of medium and high heat input welded joints, whereas low heat input welded joint shows the fine grain structure in the heat affected zone with small amount of dendritic formation and equiaxed grain structure where inner zone indicates slowly cooled grains in the direction of heat dissipation. This is the main reason for the observable changes of tensile properties of weld joints welded with different arc energy inputs.

Keywords: microstructure, mechanical properties, shield metal arc welded, duplex stainless steel

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Authors: Andrea Leon, J. M. Florez, P. Vargas

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The effect of hydrogen adsorption on the magnetic properties of fcc Ni has been calculated using the linear-muffin-tin-orbital formalism and using the local-density approximation for the exchange y correlation. The calculations for the ground state show that the sequential addition of hydrogen atoms is found to monotonically reduce the total magnetic moment of the Ni fcc structure, as a result of changes in the exchange-splitting parameter and in the Fermi energy. In order to physically explain the effect of magnetization reduction as the Hydrogen concentration increases, we propose a Stoner impurity model to describe the influence of H impurity on the magnetic properties of Nickel.

Keywords: electronic structure, magnetic properties, Nickel hydride, stoner model

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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

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Authors: Yoshio Kurosawa, Takao Yamaguchi

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High frequency automotive interior noise above 500 Hz considerably affects automotive passenger comfort. To reduce this noise, sound insulation material is often laminated on body panels or interior trim panels. For a more effective noise reduction, the sound reduction properties of this laminated structure need to be estimated. We have developed a new calculate tool that can roughly calculate the sound absorption and insulation properties of laminate structure and handy for designers. In this report, the outline of this tool and an analysis example applied to floor mat are introduced.

Keywords: automobile, acoustics, porous material, transfer matrix method

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Authors: Sapan Mohan Saini

Abstract:

In this work, we report the calculations on the electronic and optical properties of YNi₄Si-type GdNi₅ compound. Calculations are performed using the full-potential augmented plane wave (FPLAPW) method in the framework of density functional theory (DFT). The Coulomb corrected local-spin density approximation (LSDA+U) in the self-interaction correction (SIC) has been used for exchange-correlation potential. Spin polarised calculations of band structure show that several bands cross the Fermi level (EF) reflect the metallic character. Analysis of density of states (DOS) demonstrates that spin up Gd-f states lie around 7.5 eV below EF and spin down Gd-f lie around 4.5 eV above EF. We found Ni-3d states mainly contribute to DOS from -5.0 eV to the EF. Our calculated results of optical conductivity agree well with the experimental data.

Keywords: electronic structure, optical properties, FPLAPW method, YNi₄Si-type GdNi₅

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Authors: Nikhil Gopalkrishnan, Praveen Bhaskaran, Aditya Bhargava, Gyandeep Bhumarkar

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The present paper is an attempt to perform various Non-Destructive Tests on concrete structure as NDT is gaining a wide importance in the branch of civil engineering these days. Various tests that are performed under NDT not only enable us to determine the strength of concrete structure, but also provide us in-hand information regarding the durability, in-situ properties of the concrete structure. Keeping these points in our mind, we have focused our views on performing a case study to show the comparison between the NDT test results performed on a particular concrete structure and another structure at the same site which is subjected to a continuous fire of say 48-72 hours. The mix design and concrete grade of both the structures were same before the one was affected by fire. The variations in the compressive strength, concrete quality and in-situ properties of the two structures have been discussed in this paper. NDT tests namely Ultrasonic Pulse Velocity Test, Rebound Hammer Test, Core-Cutter Test was performed at both the sites. The main objective of this research is to analyze the variations in the strength and quality of the concrete structure which is subjected to a high temperature fire and the one which isn’t exposed to it.

Keywords: core-cutter test, non-destructive test, rebound hammer test, ultrasonic pulse velocity test

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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: G. P. Abdel Rahim, M. María Guadalupe Moreno Armenta, Jairo Arbey Rodriguez

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We investigated the structure and electronic properties of the compound Mg1-xBixO with varying concentrations of 0, ¼, ½, and ¾ x bismuth in the the NaCl (rock-salt) and WZ (wurtzite) phases. The calculations were performed using the first-principles pseudo-potential method within the framework of spin density functional theory (DFT). Our calculations predict that for Bi concentrations greater than ~70%, the WZ structure is more favorable than the NaCl one and that for x = 0 (pure MgO), x = 0.25 and x = 0.50 of Bi concentration the NaCl structure is more favorable than the WZ one. For x = 0.75 of Bi, a transition from wurtzite towards NaCl is possible, when the pressure is about 22 GPa. Also It has been observed the crystal lattice constant closely follows Vegard’s law, that the bulk modulus and the cohesion energy decrease with the concentration x of Bi.

Keywords: DFT, Mg1-xBixO, pseudo-potential, rock-salt, wurtzite

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Authors: J. Mrazek, R. Skala, S. Bysakh, Ivan Kasik

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Lanthanide-doped yttrium titanium oxides, which crystallize in a pyrochlore structure with general formula (RExY1-x)2Ti2O7 (RE=rare earth element), have been extensively investigated in recent years for their interesting physical and chemical properties. Despite that the pure pyrochlore structure does not present luminescence ability, the presence of yttrium ions in the pyrochlore structure significantly improves the luminescence properties of the RE. Moreover, the luminescence properties of pyrochlores strongly depend on the size of formed nanocrystals. In this contribution, we present a versatile sol-gel synthesis of nanocrystalline EuYTi2O7pyrochlore. The nanocrystalline powders and thin films were prepared by the condensation of titanium(IV)butoxide with europium(III) chloride followed by the calcination. The introduced method leads to the formation of the highly-homogenous nanocrystalline EuYTi2O7 with tailored grain size ranging from 20 nm to 200 nm. The morphology and the structure of the formed nanocrystals are linked to the luminescence properties of Eu3+ ions incorporated into the pyrochlore lattice. The results of XRD and HRTEM analysis show that the Eu3+ and Y3+ ions are regularly distributed inside the lattice. The lifetime of Eu3+ ions in calcinated powders is regularly decreasing from 140 us to 68 us and the refractive index of prepared thin films regularly increases from 2.0 to 2.45 according to the calcination temperature. The shape of the luminescence spectra and the decrease of the lifetime correspond with the crystallinity of prepared powders. The results present fundamental information about the effect of the size of the nanocrystals to their luminescence properties. The promising application of prepared nanocrystals in the field of lasers and planar optical amplifiers is widely discussed in the contribution.

Keywords: europium, luminescence, nanocrystals, sol-gel

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Authors: Khadijah B. Alziyadi, Khawlh A. Alzubaidi, Amor M. Alsayari

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Recently, GaMnAs diluted magnetic semiconductors(DMSs) have received considerable attention because they combine semiconductor and magnetic properties. GaMnAs has been used as a model DMS and as a test bed for many concepts and functionalities of spintronic devices. In this paper, a theoretical study on the band structure ofGaMnAswill be presented. The model that we used in this study is the 8-band k.p methodwherespin-orbit interaction, spin splitting, and strain are considered. The band structure of GaMnAs will be calculated in different directions in the reciprocal space. The effect of manganese content on the GaMnAs band structure will be discussed. Also, the influence of strain, which varied continuously from tensile to compressive, on the different bands will be studied.

Keywords: band structure, diluted magnetic semiconductor, k.p method, strain

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Authors: Lucie Novakova, Petr Homola, Vaclav Kafka

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Asymmetric incremental sheet forming (AISF) could significantly reduce costs incurred by the fabrication of complex industrial components with a minimal environmental impact. The AISF experiments were carried out on commercially pure titanium (Ti-Gr2), Timetal (15-3-3-3) alloy, and Ti-6Al-4V (Ti-Gr5) alloy. A special testing geometry was used to characterize the titanium alloys properties from the point of view of the forming zone and titanium structure effect. The structure and properties of the materials were assessed by means of metallographic analyses and microhardness measurements.The highest differences in the parameters assessed as a function of the sampling zone were observed in the case of alpha-phase Ti-Gr2at the expense of the most substantial sheet thinning occurrence. A springback causes a smaller stored deformation in Timetal (β alloy) resulting in less pronounced microstructure refinement and microhardness increase. Ti-6Al-4V alloy exhibited early failure due to its poor formability at ambient temperature.

Keywords: incremental forming, metallography, hardness, titanium alloys

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