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DFT + U and ab initio atomistic thermodynamics approache for mixed transitional metallic oxides: A case study of CoCu 2 O 3 surface terminations
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This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study. The results portray satisfactory geometrical parameters for bulk CoCu2O3, and a band gap of 1.25 e V. Furthermore, we clarified the stoichiometrically balanced inverted (010)CoCuO, and the non-stoichiometric (001)CuOCu, (001)CoOCo, (110)OCoO and (110)CoOCu surface terminations as the most stable configurations, out of which, the (001)CuOCu shows the optimum stability in ambient conditions. The systematic approach applied in this study should prove instrumental for the analysis of other 3-element multicomponent systems. To the best of our knowledge, the present study is the first to report DFT + U analysis to any 3-multicompnent systems with two of them requires inclusion of U treatment (i.e., f- and d- orbitals) in the electronic structure calculations.

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Publication Date
Wed Oct 28 2020
Journal Name
Iraqi Journal Of Science
Electron Scattering from Some Fp- Shell Nuclei with Inclusion the Effect of Short-Range Correlation
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The effects of short-range correlation on elastic Coulomb (charge) form factors, charge density distributions as well as root mean square charge radii of various  nuclei (for instance, 46, 48, 50Ti, 52, 54Cr, 56, 58Fe, and 72, 74, 76Ge nuclei) are examined. The one- and two body terms of the cluster expansion together with the single-particle harmonic oscillator wave functions are utilized. For the purpose of embedding these effects into the formulae of charge density  and form factor  we employ the correlation function of Jastrow-type. These formulae depend upon the short-range correlation parameter  (which instigates from the Jastr

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Publication Date
Sat Jan 01 2022
Journal Name
Indonesian Journal Of Electrical Engineering And Computer Science
Construct an efficient distributed denial of service attack detection system based on data mining techniques
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<span>Distributed denial-of-service (DDoS) attack is bluster to network security that purpose at exhausted the networks with malicious traffic. Although several techniques have been designed for DDoS attack detection, intrusion detection system (IDS) It has a great role in protecting the network system and has the ability to collect and analyze data from various network sources to discover any unauthorized access. The goal of IDS is to detect malicious traffic and defend the system against any fraudulent activity or illegal traffic. Therefore, IDS monitors outgoing and incoming network traffic. This paper contains a based intrusion detection system for DDoS attack, and has the ability to detect the attack intelligently, dynami

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Publication Date
Tue Dec 13 2022
Journal Name
Emergent Materials
Spectroscopic characteristics of highly pure metal oxide nanostructures prepared by DC reactive magnetron sputtering technique
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In this work, metal oxide nanostructures, mainly copper oxide (CuO), nickel oxide (NiO), titanium dioxide (TiO2), and multilayer structure, were synthesized by the DC reactive magnetron sputtering technique. The effect of deposition time on the spectroscopic characteristics, as well as on the nanoparticle size, was determined. A long deposition time allows more metal atoms sputtered from the target to bond to oxygen atoms and form CuO, NiO, or TiO2 molecules deposited as thin films on glass substrates. The structural characteristics of the final samples showed high structural purity as no other compounds than CuO, NiO, and TiO2 were found in the final samples. Also, the prepared multilayer structures did not show new compounds other than th

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Publication Date
Tue Jun 01 2021
Journal Name
International Medical Journal Vol. 28, Supplement No. 1, Pp. 46 - 48 , June 2021
Association of enamel defects with nutritional status among primary schools students in Al-Najaf city
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Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Journal Of Science
Transfer Factor of Radionuclides from Soil to Leafy Vegetables in Iraq Using Gamma Ray Spectroscopy
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      The activity concentration of natural radioactivity levels, of artificial cesium and transfer factor from soil to plants in agricultural areas at Al- Yusiefya region were determined by using NaI (Tl) detector spectrometer. Ten species of leafy plants have been selected: Spinach, Parsley, Watercress, Lettuce, Rashad, Radish, Green onion, Turnip green, Green beet and Mint. The mean activity concentrations of 238U, 232Th, 40K and 137Cs in leafy vegetable samples were  12.4±3.8, 14.8±4.7, 283±93 and 1.06±0.99  Bg/kg, and in soil samples were 15.9±4.3, 16.1±5.2, 298.5±3.9, and 1.11±0.37 Bq/kg. The radiation hazard indices were evaluated (radium

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Publication Date
Sat Oct 28 2023
Journal Name
Baghdad Science Journal
Effect of Green-biosynthesis Aluminum Nanoparticles (Al NPs) on Salmonella enterica Isolated from Baghdad City
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This study is aimed to Green-synthesize and characterize Al NPs from Clove (Syzygium aromaticum
L.) buds plant extract and to investigate their effect on isolated and characterized Salmonella enterica growth.
S. aromaticum buds aqueous extract was prepared from local market clove, then mixed with Aluminum nitrate
Al(NO3)3. 9 H2O, 99.9% in ¼ ratio for green-synthesizing of Al NPs. Color change was a primary confirmation
of Al NPs biosynthesis. The biosynthesized nanoparticles were identified and characterized by AFM, SEM,
EDX and UV–Visible spectrophotometer. AFM data recorded 122nm particles size and the surface roughness
RMs) of the pure S. aromaticum buds aqueous extract recorded 17.5nm particles s

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Publication Date
Mon Jun 27 2022
Journal Name
Materials
Flexural Performance of Encased Pultruded GFRP I-Beam with High Strength Concrete under Static Loading
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There is an interesting potential for the use of GFRP-pultruded profiles in hybrid GFRP-concrete structural elements, either for new constructions or for the rehabilitation of existing structures. This paper provides experimental and numerical investigations on the flexural performance of reinforced concrete (RC) specimens composite with encased pultruded GFRP I-sections. Five simply supported composite beams were tested in this experimental program to investigate the static flexural behavior of encased GFRP beams with high-strength concrete. Besides, the effect of using shear studs to improve the composite interaction between the GFRP beam and concrete as well as the effect of web stiffeners of GFRP were explored. Encasing the GFRP

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Publication Date
Mon Jun 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
Removal of COD from Petroleum refinery Wastewater by Electro-Coagulation Process Using SS/Al electrodes
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Abstract<p>In the present study, the effectiveness of a procedure of electrocoagulation for removing chemical oxygen demand (COD) from the wastewater of petroleum refinery has been evaluated. Aluminum and stainless steel electrodes were used as a sacrificial anode and cathode respectively. The effect of current density (4-20mAcm<sup>−2</sup>), pH (3-11), and NaCl concentration (0-4g/l) on efficiency of removal of chemical oxygen demand was investigated. The results have shown that increasing of current density led to increase the efficiency of COD removal while increasing NaCl concentration resulted in decreasing of COD removal efficiency. Effect of pH was found to be lowering COD re</p> ... Show More
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Publication Date
Fri Sep 30 2022
Journal Name
Iraqi Journal Of Science
Spectroscopy Diagnostic of Laser Intensity Effect on Zn Plasma Parameters Generated by Nd: YAG Laser
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      The creation and characterization of laser-generated plasma are affected by laser irradiance, representing significant phenomena in many applications.  The present work studied the spectroscopy diagnostic of laser irradiance effect on Zn plasma features created in the air by a Q-switched Nd: YAG laser at the fundamental wavelength (1064nm).  The major plasma parameters (electron temperature and electron density) have been measured using the Boltzmann plot and the Stark broadening methods.  The value of electrons temperature ranged from 6138–6067 K, and the electron density in the range of 1.4×1018 to 2×1018 cm-3, for laser irradiance range from 2.1 to 4.8×108 (W/cm2

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Publication Date
Mon Jun 15 2020
Journal Name
Journal Of Baghdad College Of Dentistry
Effect of different bracket types on streptococcus mutans count in orthodontic patients using fluoridated toothpaste
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Background: Plaque retention during fixed orthodontic therapy is an important cause of developing enamel demineralization. The purpose of this study was to evaluate the effect of different brackets types on the count of Streptococcus Mutans in orthodontic patients using conventional fluoridated toothpaste. Materials and Methods: Plaque samples were collected from maxillary 1st premolar teeth of twenty right handed patients (using split mouth technique) before bonding, after 48 hrs of bonding using tooth brush only, and after 2 weeks of using fluoridated toothpaste. Stainless steel bracket was bonded on right first premolar while the left one was bonded with sapphire bracket. The calculation of the Streptococcus Mutans count was done usin

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