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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
Fri Sep 30 2016
Journal Name
Al-khwarizmi Engineering Journal
Modeling the removal of Cadmium Ions from Aqueous Solutions onto Olive Pips Using Neural Network Technique
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The uptake of Cd(II) ions from simulated wastewater onto olive pips was modeled using artificial neural network (ANN) which consisted of three layers. Based on 112 batch experiments, the effect of contact time (10-240 min), initial pH (2-6), initial concentration (25-250 mg/l), biosorbent dosage (0.05-2 g/100 ml), agitation speed (0-250 rpm) and temperature (20-60ºC) were studied. The maximum uptake (=92 %) of Cd(II) was achieved at optimum parameters of 60 min, 6, 50 mg/l, 1 g/100 ml, 250 rpm and 25ºC respectively.

Tangent sigmoid and linear transfer functions of ANN for hidden and output layers respectively with 7 neurons were sufficient to present good predictions for cadmium removal efficiency with coefficient of correlatio

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Publication Date
Wed May 29 2019
Journal Name
Iraqi Journal Of Physics
Effect of thickness on structural properties of BixSb2-xTe3 thin films
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BixSb2-xTe3 alloys with different ratios of Bi (x=0, 0.1, 0.3, 0.5, and 2) have been prepared, Thin films of these alloys were prepared using thermal evaporation method under vacuum of 10-5 Torr on glass substrates at room temperature with different deposition rate (0.16, 0.5, 0.83) nm/sec for thickness (100, 300, 500) respectively. The X–ray diffraction measurements for BixSb2-xTe3 bulk and thin films indicate the polycrystalline structure with a strong intensity of peak of plane (015) preferred orientation with additional peaks, (0015) and (1010 ) reflections planes, which is meaning that all films present a very good texture along the (015) plane axis at different intensities for each thin film for different thickness. AFM measureme

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Publication Date
Mon Nov 01 2021
Journal Name
Journal Of Engineering
Effect of Fly Ash on Some Properties of Reactive Powder Concrete
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To achieve sustainability in the field of civil engineering, there has become a great interest in developing reactive powder concrete RPC through the use of environmentally friendly materials to reduce the release of CO2 gas produced from cement factories as well as contribute to the recycling of industrial wastes that have a great impact on environmental pollution.

In this study, reactive powder concrete was prepared using total binder content of 800 kg/m3, water to binder ratio (0.275), and micro steel fibers  1% by volume of concrete. The experimental program included replacing fly ash with (8, 12, 16) % by cement weight to find the optimal ratio, which achieved the best mechanical proper

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Publication Date
Sun Jun 12 2011
Journal Name
Baghdad Science Journal
Effect of additive polyvinyl alcohol polymer on properties of cement – Silica
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Study the effect of additives polymer polyvinyl alcohol (PVA) after solving in water by concentration 10% since represent a standard of PVA solution with added to cement – silica composite of ratio (1:2) with 5%, 10%, 15%, 20%, and 25% respectively to the standard quantity of water which using as a mortar of building. The results are demonstrate increasing on compression resistance with increase of PVA solution until 20%, and decreasing of thermal conductivity which represent a composite are increasing in thermal insulating. The results were recommended decreasing of water absorption with increase of PVA solution ratio as illustrated in this study.

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Effect of thickness on optical properties of pure Epoxy Resin plates
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In this study, Epoxy Resin plates was prepared by mixing epoxy(A) and hardner(B)with ratio(A:B) (3:1) with different thickness (0.3-0.96)cm. The effect of thickness on optical properties have been studied (absorption ,transmission ,reflectance) also the optical constant were found like (absorption coefficient, extenuation coefficient and refraction index) for all of the prepared plates. The results have shown that by increasing the thickness of plates., the absorption intensity increase in which at plates thickness (0.3-0.96)cm the absorption intensity were(1.54-1.43) respectively, and since absorption peak for epoxy occur in ultraviolet region and exactly at wavelength(368)nm and energy gap(Eg=3.05 eV) thus their good transmittance in the

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Publication Date
Thu Dec 31 2020
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
SIMULATION AND MODELING OF HYDRO CRACKING REACTR TO REDUCE POLLUTION CAUSED BY REFINERIES: SIMULATION AND MODELING OF HYDRO CRACKING REACTR TO REDUCE POLLUTION CAUSED BY REFINERIES
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Hydro cracking of heavy oil is used in refinery to produce invaluable products. In this research, a model of hydro cracking reactor has been used to study the behavior of heavy oil in hydro cracking under the conditions recommended by literature in terms lumping of feed and products. The lumping scheme is based on five lumps include: heavy oil, vacuum oil, distillates, naphtha and gases. The first order kinetics was assumed for the conversion in the model and the system is modeled as an isothermal tubular reactor. MATLAB 6.1 was used to solve the model for a five lump scheme for different values of feed velocity, and temperature.

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Publication Date
Wed May 01 2024
Journal Name
Journal Of Physics: Conference Series
Studying the effect of changing optical fibers parameters on their modes properties at 1000 nm wavelength
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Abstract<p>Optical fiber technology is without a doubt one of the most significant phases of the communications revolution and is crucial to our daily lives. Using the free version (2022) of RP Fiber Calculator, the modal properties for optical fibers with core radii (1.5−7.5) μm, core index (1.44−1.48) and cladding index (1.43−1.47) have been determined at a wavelength of 1000 nm. When the fiber core’s radius is larger than its operating wavelength, multimode fibers can be created. The result is a single-mode fiber in all other cases. All of the calculated properties, it has been shown, increase with increasing core radius. The modes’ intensity profiles were displayed.</p>
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Publication Date
Mon Oct 01 2012
Journal Name
Iraqi Journal Of Physics
Annealing temperature effect on the structural and optical properties of thermally deposited nanocrystalline CdS thin films
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A nanocrystalline CdS thin film with 100 nm thickness has been prepared by thermal evaporation technique on glass substrate with substrate temperature of about 423 K. The films annealed under vacuum at different annealing temperature 473, 523 and 573 K. The X-ray diffraction studies show that CdS thin films have a hexagonal polycrystalline structure with preferred orientation at (002) direction. Our investigation showed the grain size of thin films increased from 9.1 to 18.9 nm with increasing the annealing temperature. The optical measurements showed that CdS thin films have direct energy band gap, which decreases with increasing the annealing temperature within the range 3.2- 2.85 eV. The absorbance edge is blue shifted. The absorption

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Publication Date
Thu Aug 01 2024
Journal Name
Egyptian Journal Of Aquatic Biology And Fisheries
Climate Changes and Their Impact on Phytoplankton and Physicochemical Properties of the Tigris River, Baghdad, Iraq
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The study was conducted in the Tigris River in Baghdad during May 2021 until March 2022 to follow the impact of climate change, rising temperatures, and the presence of pollutants on the dynamics of phytoplankton and some physicochemical variables from four sites. The results showed that the climatic conditions during different seasons, in addition to the nature of the sampling sites, have a clear and significant impact on the studied traits and, in turn, affect the phytoplankton community. The highest average temperature (30.67 ˚C) was recorded; the pH values ranged between 8.70 & 6.75; the electrical conductivity (1208.18-770.11 µS/cm ) and the total dissolved solids (TDS) (778.95- 439.49 mg/L) were evaluated. Upon measuring

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Publication Date
Sun Sep 05 2010
Journal Name
Baghdad Science Journal
Studying the effect of annealing on some electrical and optical properties for thin CdS , CdS:In films
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In the present work we prepared heterojunction not homogenous CdS/:In/Cu2S) by spray and displacement methods on glass substrate , CdS:In films prepared by different impurities constration. Cu2S prepared by chemical displacement method to improve the junction properties , structural and optical properties of the deposited films was achieved . The study shows that the film polycrystalline by XRD result for all film and the energy gap was direct to 2.38 eV with no effect on this value by impurities at this constration .

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