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Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite

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 Mar 06 2023
Journal Name
Research On Crops
Effect of fertilizers starter solutions on growth and production of broccoli (Brassica oleracea var. italicaa) 

The seedlings of vegetables are exposed to stress states, especially through the first period, due to injuring their roots by transplanting or heavy rain , so it is necessary to provide an available nutrient to recover the growth and increase their early yield, which means more income for farmers. In this regard, an experiment was conducted in the College of Agricultural Engineering Sciences, Agriculture Faculty, University of Baghdad, Iraq to study the effect of different types and concentrations of mineral fertilizers as starter solutions by using high nitrogen (N), high phosphorus (P) and neutral fertilizers (Q) at three levels which were 4 g/l (S1), 8 g/l (S2) and 12 g/l (S3) on broccoli growth and yield. The results showed tha

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Publication Date
Tue Sep 08 2020
Journal Name
Baghdad Science Journal
Effect of Sn Addition on Phase Transformation Behavior of Equiatomic Ni-Ti Shape Memory Alloy

Sn effect on the phase transformation behavior, microstructure, and micro hardness of equiatomic Ni-Ti shape memory alloy was studied. NiTi and NiTiSn alloys were produced using vacuum induction melting process with alloys composition (50% at. Ni, 50% at.Ti) and (Ni 48% at., Ti 50% at., Sn 2% at.). The characteristics of both alloys were investigated by utilizing Differential Scanning Calorimetry, X- ray Diffraction Analysis, Scanning Electron Microscope, optical microscope and vicker's micro hardness test. The results showed that adding Sn element leads to decrease the phase transformation temperatures evidently. Both alloy samples contain NiTi matrix phase and Ti2Ni secondary phase, but the Ti2Ni phase content dec

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Publication Date
Wed May 18 2016
Journal Name
مجلة كلية التربية الاساسية
Effect of citric and glutamic acids on physiological characteristics and yield of Vicia faba L.

The field experiment was conducted in garden of Department of Biology, College of Education for Pure Sciences (Ibn- Al-Haitham), University of Baghdad during the season of growth (2014-2015). The experiment aimed to study the effect of citric acid with two concentration 10, 20 mg. L-1 and glutamic acid with two concentration 50, 100 mg. L-1 on growth and yield of broad bean (Vicia faba). The results were showed an increased in plant height, leaves number. Plant dry weight, chlorophyll content flowers number, absolute growth rate, crop growth rate, legume length and dry weight, legumes number, seed dry weight compared with control plants.

Publication Date
Tue Nov 19 2024
Journal Name
Journal Of Baghdad College Of Dentistry
Effect of certain chemical surface treatments on repair bond strength of some denture base materials

Background: Fracture of different types of acrylic denture base is a common problem associated with dental prosthesis. Studies suggested that the repair strength may be improved by several means including surface treatment with chemical agents. The aim of the study was to evaluate the effect of surface treatment with acrybond-bonding agent and monomer on fractured denture base in respect to transverse, tensile and shear bond strength and evaluation of the mode of failure by light microscope. Materials and methods: Two hundred seventy specimens were prepared and divided into 3 groups according to the material used (regular conventional, rapid simplified and high impact) heat cure acrylic. The specimen in each groups were prepared specificall

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Publication Date
Thu Jan 30 2014
Journal Name
Al-kindy College Medical Journal
Effects of Sleeve Gastrectomy as a Bariatric Surgery on Weight of Dietary Induced Obese Rats.

Background: Obesity is becoming the healthcare epidemic world wide.Obesity is associated with reduced life expectancy, increased morbidity and mortality, and greater healthcare costs.Bariatric surgery is the only effective treatment for morbid obesity and is gaining increasing popularity. There has been a steady rise in the numbers and types of bariatric operations done worldwide in recent years butnon of prove to be ideal .Animal studies and use of animal models are significant element in the evolution of medical knowledge and the use of animals as a model for bariatric surgery is of importance to study the mechanisms of these operationsa and also help to develop new technique in management of obesity.Objectives:Study of effects of slee

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Publication Date
Sun Apr 01 2012
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Effects of high and low dose of cadmium chloride on male Reproductive system in mice

Background: Cadmium is highly toxic and carcinogenic environmental contaminant exposure to cadmium has been reported to reduce male fertility and there are several hypotheses that suggest how reduced male fertility may result from incorporation of cadmium. The purpose of this study was to determined the role of testicular ascorbic acid level in cadmium mediated oxidative damage on mice testis.
Objectives:To know the extent of toxicity of cadmium chloride and its adverse effects on male reproductive system in mice .
Methods:Fifteen adult albino male mice were divided into three groups, group one control and two experimental groups (low dose and high dose ).the experimental groups were injected with sing

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Publication Date
Sun Jan 25 2015
Journal Name
Geomechanics And Engineering
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Publication Date
Mon Jun 22 2020
Journal Name
Baghdad Science Journal
Effects of Anthracene Doping Ratio and UV Irradiation Time on Photo-Fries Rearrangement of Polycarbonate

Thin films of pure polycarbonate (PC) with anthracene doping PC films for different doping ratios (10, 20, 30, 40, 50 and 60 ml) were prepared by using a casting method. The influence of anthracene doping ratio on photo-fries rearrangement of polycarbonate was systematic investigated. Furthermore, pure PC and anthracene doping PC films were irradiated via UV light at a wavelength (254 nm) for different periods (5, 240, 288, and 360 hrs). The photo-fries rearrangement occurring in pure PC and anthracene doping PC films were monitored using UV and FTIR spectroscopies. The photo-fries rearrangement leads to scission the carbonate linkage and formation phenylsalicylate and dihydroxybenzophenes. The result of the UV spectrum confirms disappea

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Publication Date
Thu Nov 30 2023
Journal Name
Iraqi Journal Of Science
Effects of Land Uses on Soil Quality of Shwan Sub-basin, Kirkuk Governorate, Northern Iraq

     Thirty-two soil samples were collected from the study area in October 2020 for geochemical and pollutants investigation of Shwan Sub-basin soil. All soil samples were analysed for different geochemical analyses. The analysis results revealed that the pH values in soil samples ranged from 7.12 to 7.56 with a mean of 7.327. According to the pH values detected in the soil samples, the soil is classified as neutral soil. The electrical conductivity ranged from 0.92 mmhos/cm to 7.8 mmhos/cm with a mean of 1.53 mmhos/cm. Thus, according to the detected electrical conductivity values, the soil was classified as non-saline to slightly saline. The organic matter ranged from 1.14% to 1.45% with a mean value of 1.326 %, while total organic

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Publication Date
Mon Oct 28 2019
Journal Name
Iraqi Journal Of Science
On a Class of Meromorphic Multiivalent Functiions Convoluted withi Higher Derivatiives of Fractionali Calculus Operator

The main goal of this paper is to study and discuss a new class of meromorphici "functions[ which are multivalent defined by [fractional  calculus operators. Coefficients iestimates , radiisi of satarlikeness , convexityi and closed-to-iconvexity are studied. Also distortion iand closure theorems for the classi" ,  are considered.

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