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Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite
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This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as absorption, reflectivity, the real and imaginary components of the dielectric function, Loss function, reflective index, extinction coefficient were calculated. Thus, the current findings reveal that Pd–BaTiO3 is a promising composition to be synthesised experimentally for various optoelectronic applications. The predicted negative formation energies values of the inspected structures are indicating to exothermic formation process of such materials and more interestingly indicating also to the stability and possibility of synthesizing such materials experimentally.

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Modeling the Effect of Particle Packing Density for Sintering
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Abstract<p>This research studies the effect of particle packing density on sintering TiO<sub>2</sub> microstructure. Sintering experiment was conducted on compacts involving of monodisperse spherical TiO2 particles. The experimental results are modeled using L<sup>2</sup>-Regression technique in studing the effect of two theoretical values of 55% and 69% of initial packing densities. The mathematical simulation shows that the lower values of density compacts sintered fast to theoretical density and this reflects that particle packing density improved densification rate because of the competing influence of grain growth at higher values of densities.</p>
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Publication Date
Fri Jul 01 2022
Journal Name
Iop Conference Series: Earth And Environmental Science
Evaluation of Soil Quality and Health Indices in Relation to Soil Physical Properties of Fedak Farm in Holly Najaf Province
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Fadak farm project was selected to conduct this study in and to evaluate the state of quality and health indices in term of soil physical properties, where this farm is located in Holly Najaf Governorate. Some physical properties (soil texture, mean weight diameter, bulk density, porosity, infiltration rate, saturated hydraulic conductivity and available water) were selected to assess the quality then health indices, Results showed that classes of moderate and poor soil health were dominated in lands of this farm for physical properties It was noted that the class good of soil health wasnot collaterally appeared in areas for the physical characteristics.

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Publication Date
Wed May 09 2012
Journal Name
Fuzzy Inference System - Theory And Applications
Some Studies on Noise and Its Effects on Industrial/Cognitive Task Performance and Modeling
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Publication Date
Tue Jan 01 2019
Journal Name
Ieee Access
Speech Enhancement Algorithm Based on Super-Gaussian Modeling and Orthogonal Polynomials
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Publication Date
Fri Feb 08 2019
Journal Name
Iraqi Journal Of Laser
Study the Effect of Annealing on Optical and Electrical Properties of ZnS Thin Film Prepared by CO2 Laser Deposition Technique
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In this work, ZnS thin films have been deposited by developed laser deposition technique on glass substrates at room temperature. After deposition process, the films were annealed at different temperatures (200ºC , 300 ºC and 400ºC ) using thermal furnace.The developed technique was used to obtain homogeneous thin films of ZnS depending on vaporization of this semiconductor material by continuous CO2 laser with a simple fan to ensure obtaining homogeneous films. ZnS thin films were annealed at temperature 200ºC, 300 ºC and 400ºC for (20) minute in vacuum environment. Optical properties of ZnS thin film such as absorbance, transmittance, reflectance, optical band gap, refractive index extinction coefficient and absorption coefficien

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Publication Date
Tue May 01 2012
Journal Name
Iraqi Journal Of Physics
Determination the dispersion parameters and urbach tail of iron chromate doped PMMA films
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Films of pure Poly (methyl methacrylate) PMMA and Iron chromate doped PMMA have been prepared using casting method. Transmission and absorptance spectra have been recorded in the wavelength range (300-900) nm, in order to calculate, single oscillator energy, dispersion energy proposed by Wemple - DiDomenico model, average oscillator strength, average oscillator wavelength. The refractive index data at infinite wavelength which was found to obey single oscillator model which was found to increase from 2.27-2.56 as the doping percentage increase. The decreasing in the optical energy gap which was found according to Tauc model were (3.74-3.63) eV , is in good agreement with that obtained by wimple-DiDomenico model. The inverse behavior comp

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Publication Date
Fri Sep 01 2006
Journal Name
Journal Of Thermoplastic Composite Materials
The Thermoelectrical Behavior of PEO Films Doped with MnCl<sub>2</sub> Salt
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The poly(ethylene oxide) polymer (PEO) is doped with fine powder of MnCl2 salt and thin films of thickness (50–150 mm) with salt content (0, 5, 10, 15, and 20 wt%) are obtained. The AC electrical conductivity and dielectric constants are studied as a function of temperature through an impedance technique. It is found that AC conductivity increases and the calculated activation energy decreases with increasing temperature due to enhancement of the ionic conduction in the film bulk. The dielectric constants of the doped membranes increase with temperature. It is found that the peak value of the tanloss is shifted to a higher frequency at higher temperatures. The dielectric behavior is explained on the basis of

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Publication Date
Sat Mar 01 2008
Journal Name
Iraqi Journal Of Physics
Study of Optical Properties of HgTe Films
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Alloy of (HgTe) has been prepared succesful in evacuated qurtz ampoule at pressure 4×10-5torr, and melting temperature equal to 823K for five days. Thin films of HgTe of thickness 1μm were deposited on NaCl crystal by thermal evaporation technique at room temperature under vacuum about 4×10-5torr as well as investiagtion in the optical porperties included (absorption coefficient , energy gap) of HgTe films and The optical measurements showed that HgTe film has direct energy gap equal to 0.05 eV. The optical constants (n, k, εr, εi) have been measured over will range (6-28)μm.

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Publication Date
Sun Jun 30 2024
Journal Name
Iraqi Journal Of Science
Efficient Computational Methods for Solving the One-Dimensional Parabolic Equation with Nonlocal Initial and Boundary Conditions
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     The primary objective of the current paper is to suggest and implement effective computational methods (DECMs) to calculate analytic and approximate solutions to the nonlocal one-dimensional parabolic equation which is utilized to model specific real-world applications. The powerful and elegant methods that are used orthogonal basis functions to describe the solution as a double power series have been developed, namely the Bernstein, Legendre, Chebyshev, Hermite, and Bernoulli polynomials. Hence, a specified partial differential equation is reduced to a system of linear algebraic equations that can be solved by using Mathematica®12. The techniques of effective computational methods (DECMs) have been applied to solve some s

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Publication Date
Mon Apr 01 2024
Journal Name
Indian Journal Of Dental Research
Effect of Bisoctrizole on Ultraviolet (UV) Absorption Properties of Silicone and Effect on Surface Roughness - An In Vitro Study
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Abstract<sec> <title>Background:

Premature degradation is the problem of maxillofacial silicones, significantly affected by ultraviolet exposure, contributing to silicones photodegradation. Degradation necessitates frequent replacement of prostheses that increase the total cost of rehabilitation.

Aims:

This study evaluated the effect of bisoctrizole on the ultraviolet absorption properties of silicone material and the stability of this absorption over time. Also, the bisoctrizole effect on the surface roughness of silicone was evaluated.

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