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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
Mon Jan 01 2024
Journal Name
Sustainable Construction Materials And Technologies (scmt)
TRIAXIAL TEST OF HYDRATED LIME ON THE MECHANICAL PROPERTIES OF HOT MIX ASPHALT CONCRETE
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This paper reports on the experimental study, which conducted a series of triaxial tests for the asphalt concrete using hydrated lime as a mineral additive. Three HMA mixes, prepared by the specification for wearing, levelling and base layers, were studied under three different temperatures. The test results have demonstrated that, compared with the control mixes excluding HL, the permanent deformation resistance of the HL modified mixes has significant improvement. The deformation has been reduced at the same load repetition number, meanwhile the flow number has been considerably increased. The degree of improvement in permanent deformation resistance using HL is more pronounced at high stress deviation states and high temperature.

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
The effect of using polyolefin fiber on some properties of slurry-infiltrated fibrous concrete
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Abstract<p>Slurry-infiltrated fibrous concrete (SIFCON) is a special type of concrete that has great strength, as well as high ductility. However, the unit weight is high, which exceeds the unit weight of fiber-reinforced concrete, because of the high fiber content. This research aims to verify the compressive and flexural strength, as well as the density of SIFCON when using two different fibers (steel and polyolefin). Sometimes mono type of fiber steel or polyolefin, sometimes by hybridizing two types of fiber steel + polyplefin. Volume fraction (6% for all species) was used. Hook-end steel fiber and polyolefin fiber are used. With hybridization, a total volume fraction of 6% was used, which </p> ... Show More
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Publication Date
Mon May 22 2023
Journal Name
Proceedings Of The 1st International Conference On Frontier Of Digital Technology Towards A Sustainable Society
Effect of thermal annealing on the structural and optical properties of Sb2Se3 thin films
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In this paper the effect of thermal annealing on the structural and optical properties of Antimony Selenide (Sb2Se3) is investigated. Sb2Se3 powder is evaporated on clean amorphous glass substrates at room temperature under high vacuum pressure (4.5×10-6 mbar) to form thin films. The structural investigation was done with the aid of X-ray diffraction (XRD) and atomic force microscopy (AFM). The amorphous to polycrystalline transformation of these thin films was shown by X-ray diffraction analysis after thermal annealing. These films' morphology is explained. (UV-Vis ) spectra in ranges from 300 to 1100 nm was used to examine the optical properties of the films .The absorption coefficient and optical energy gap of the investigated films are

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Publication Date
Sun Jun 05 2011
Journal Name
Baghdad Science Journal
Effect of Milk Substitution with liquid whey on the quality properties of fatty cake
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This study exposed to use the liquid whey (which was produced from of soft cheese processed) partially or completely instead of milk in fatty cake, this whey residue is still not used, instead it is thrown in rivers which effect different environment and economic problems. Different concentrations was used (25% , 50% , 75% , and 100%) of whey in baked cake , Volume , height and other different properties ( panel taste ) was studied too . Sensory evaluation results showed that an improved in all the character of the baked cake was happen by the used of 25% and 50% of the whey in comparison with the control treatment, the 75% replacement showed a decrease in appearance , texture and tenderness , while the degrees of color and fla

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Publication Date
Wed Sep 19 2018
Journal Name
Biomedical And Pharmacology Journal
Influence of Silver Nanoparticles on the Specific Properties of Acrylic Resin for Ocular Prosthesis
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Scleral acrylic resin is widely used to synthesize ocular prosthesis. However, the properties of this material change over time, thus requiring the prosthesis to be refabricated. Many studies were conducted to improve these properties by reinforcing this material with nanoparticles. This study aims to evaluate the effect of silver nanoparticle powder on the mechanical properties (transverse flexural strength, impact strength, shear bond strength, surface microhardness, and surface roughness) of scleral acrylic resin used for ocular prostheses. Two concentrations were selected from the pilot study and evaluated for their effects on scleral acrylic resin properties. According to the pilot study, 0.01 and 0.02wt% AgNPs powder improved

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Publication Date
Sat Jul 01 2023
Journal Name
Journal Of Engineering
Effect of Heat Treatments and Carbon Content on the Damping Properties of Structural Steel
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Low- and medium-carbon structural steel components face random vibration and dynamic loads (like earthquakes) in many applications. Thus a modification to improve their mechanical properties, essentially damping properties, is required. The present study focuses on improving and developing these properties, significantly dampening properties, without losing the other mechanical properties. The specimens used in the present study are structural steel ribbed bar ISO 6935 subjected to heating temperatures of (850, 950, and 1050) ˚C, and cooling schemes of annealing, normalizing, sand, and quenching was selected. The damping properties of the specimens were measured experimentally with the area under the curve for the loadi

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Publication Date
Sat Jan 01 2011
Journal Name
Iraqi Journal Of Physics
The Effect of CdCl2 and annealing treatments on structural properties of CdS/CdTe heterojunction
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CdS and CdTe thin films were thermally deposited onto glass substrate. The CdCl2 layer was deposited onto CdS surface. These followed by annealing for different duration times to modify the surface and interface of the junction. The diffraction patterns showed that the intensity of the peaks increased with the CdCl2/annealed treatment, and the grain sizes are increased after CdCl2/annealed treatment

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Publication Date
Fri Aug 31 2012
Journal Name
Al-khwarizmi Engineering Journal
Study of Mechanical Properties of (Al-Cu-Mg) Alloy Matrix Composite
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The present research had dealt with preparing  bars  with the length of about  (13 cm) and  adiametar  of  (1.5 cm) of composite materials with metal  matrix  represented by (Al-Cu-Mg) alloy cast enforced by (ZrO2) particles with chosen weight  percentages (1.5, 2.5 ,3.5, 5.5 %). The base  cast and the composite  materials were prepared by casting method by uses vortex  Technique inorder to  fix up (ZrO2) particles in homogeneous way on  the  base cast. In addition to  that, two main groups of composite materials were prepared depending on the particles size of (ZrO2) , respectively.       &n

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Publication Date
Wed Oct 24 2018
Journal Name
Chalcogenide Letters
STUDY OF GEOMETRICAL AND ELECTRONIC PROPERTIES OF ZnS WURTZOIDS VIA DFT
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Publication Date
Sat Feb 01 2020
Journal Name
Energy Reports
Study of photoemission and electronic properties of dye-sensitized solar cells
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We have investigated the photoemission and electronic properties at the PTCDI molecules interface on TiO2 and ZnO semiconductor by means of charge transition. A simple donor acceptor scenario used to calculate the rate for electron transfer of delocalized electronics in a non-degenerately TiO2 and ZnO electrodes to redox localized acceptors in an electrolytic. The dependent of electronic transition rate on the potential at contact of PTCDI with TiO2 and ZnO semiconductors, it has been discussion using TiO2 and ZnO electrodes in aqueous solutions. The charge transfer rate is determining by the overlapping electronic coupling to the TiO2 and ZnO electrodes, the transition energy, potential and polarity media within the theoretical scenario of

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