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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
Tue Feb 28 2023
Journal Name
Iraqi Journal Of Science
Photonic Crystal Fiber Pollution Sensor based on Surface Plasmon Resonance
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       In this work, a pollution-sensitive Photonic Crystal Fiber (PCF) based on Surface Plasmon Resonance (SPR) technology is designed and implemented for sensing refractive indices and concentrations of polluted  water . The overall construction of the sensor is achieved by splicing short lengths of PCF (ESM-12) solid core on one side with traditional multimode fiber (MMF) and depositing a gold nanofilm of 50nm thickness on the end of the PCF sensor. The PCF- SPR experiment was carried out with various samples of polluted water including(distilled water, draining water, dirty pond water, chemical water, salty  water and oiled water). The location of the resonant wavelength peaks is seen to move to longer wavelengths (red shift)

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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Science
Evaluation of Case detection rates of Pulmonary Tuberculosis before and after adoption of GeneXpert MTB/RIF
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     Cities witnessing mass-gathering events, such as Kerbala-Iraq, are peculiar in respect to their needs in controlling tuberculosis. DOTS was implemented in Kerbala almost two decades ago. GeneXpert MTB/RIF assay is adopted in the hope to escalate case detection rates, however, its performance is not evaluated yet. Records of 3254 patients suspected to have pulmonary TB whom they referred to the chest and Respiratory illnesses center of Kerbala governorate were analyzed. The overall trends of TB detection rates showed declining pattern over the year before the adoption of GeneXpert MTB/RIF. In the year of adoption of Xpert MTB/RIF, the detection rates raised, then after declined again. The GeneXpert MTB/RIF has add

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Publication Date
Fri Jun 30 2017
Journal Name
Journal Of Engineering
Performance Evaluation of a PID and a Fuzzy PID Controllers Designed for Controlling a Simulated Quadcopter Rotational Dynamics Model
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This work is concerned with designing two types of controllers, a PID and a Fuzzy PID, to be used
for flying and stabilizing a quadcopter. The designed controllers have been tuned, tested, and
compared using two performance indices which are the Integral Square Error (ISE) and the Integral
Absolute Error (IAE), and also some response characteristics like the rise time, overshoot, settling
time, and the steady state error. To try and test the controllers, a quadcopter mathematical model has
been developed. The model concentrated on the rotational dynamics of the quadcopter, i.e. the roll,
pitch, and yaw variables. The work has been simulated with “MATLAB”. To make testing the
simulated model and the controllers m

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Publication Date
Fri Jan 26 2024
Journal Name
Iraqi Journal Of Science
Effect of Laser Surface Treatment on Physical Properties of Composite Material (Al-B4C)
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This work study the effect of laser surface heat treatment on physical properties (green density, density after sintering, theoretical density and porosity)of a composite material of an Al powder as a matrix with different percentage of B4C powder as additive material. This work was done by two stages: First stage: Production the maincomposite material which is contain Al powder with grain size 24μm as a matrix and B4C powder with grain size 50μm as additive with different weight percentage (5%,10%,15%,20%,25%,30%), and the powders Maxined for suitable time 15min, after that the mixture compacted with 2ton and sintered at 550C0. Second stage: Laser surface treatment was done for the productive composite material after sintering by usin

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Publication Date
Thu Feb 06 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Surface properties of heat treated with different durations of titanium alloy dental implants
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Background: The surface properties of the titanium alloy plays a significant role in the bond of the dental implant with living bone and modification of the implant surface could enhance osseointegration. This study was aimed to investigate the effect of different durations of heat treatment on the surface properties of titanium alloy for dental implants. Materials and methods: Twenty disks of (Ti-6Al-4V) alloy were prepared. The sample was divided into four test groups to study the effect of different duration of heat treatment to the surface topography; surface chemistry, titanium oxide layer thickness, blood contact angle, & blood drop diameter of titanium alloy samples were investigated to evaluate the effect of different durations of

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Publication Date
Thu Feb 06 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Effect of zirconia surface treatments on the shear bond strength of veneering ceramic
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Background: The aim of the study was to investigate the effect of surface treatments of zirconia (grinding and sandblast with 50μm, 100 μm) on shear bond strength between zirconia core and veneering ceramic. Material and methods: Twenty-eight presintered Y-TZP ceramic specimens (IPS e.max ZirCAD, Ivoclar vivadent) were fabricated and sintered according to manufacturer’s instructions. The core specimens were divided randomly in to 4 groups, group 1: no surface treatment, group2: zirconia specimens were ground with silicon carbide paper up to1200 grit under water cooling, group3: zirconia specimens were ground and sandblast with 100 μm alumina, group 4: zirconia specimens were ground and sandblast with 50 μm alumina. Surfa

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Publication Date
Mon Dec 05 2022
Journal Name
Baghdad Science Journal
Influence of Optical Fiber Diameters on the Performance of Surface Plasmon Resonance Sensor
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In this research, a sensor for chemical solutions was designed and formed using optical fiber-based on a surface Plasmon resonance technology. A single-mode optical fiber with three different diameters (25, 45 and 65) µm was used, respectively.  The second layer of the low refractive fiber was replaced by gold, which was electrically deposited at 40 µm thickness. For each of the three types of optical fiber, different saline concentrations (different index of refraction) were used to evaluate the performance of the refractive index sensor (chemical sensor) by measuring its sensitivity and resolutions. The highest values we could get for these two parameters were 240mm/RIU, and 6*10-5 RIU respectively, when the diameter of a

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Publication Date
Thu Feb 06 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Effect of different polishing systems on the surface roughness of full-contour zirconia
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Background: Adjustment of any premature occlusal contact of any zirconia restoration requires its polishing or glazing in order to restore the smoothness of the restoration. The objective of this in vitro study was to evaluate the effects of different polishing systems and glazing on the surface roughness of full-contour zirconia. Material and methods: Forty disks (diameter: 8 mm, thickness: 6.4 mm) were prepared from pre-sintered full-contoured zirconia block; they were colored and sintered in a high-temperature furnace at 1500ËšC for 8 hours. The specimens were then leveled and finished using grinding and polishing machine and adjusted using diamond disk. The specimens were then randomly divided into four groups (n=10), group I involves

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Publication Date
Sun Apr 16 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study of Some Mechanical and Physical Pproperties for Epoxy Rreinforced by Ffibers
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In this research, we prepared a hybrid composite material of polymeric matrix hand cast method, composite material has been attended from epoxy resin EP as matrix materials reinforced woven roving fiber jute is constant volume fraction (13%), PVC fibers and woven glass fiber with different fraction on the properties of prepared composite materials to PVC fiber and glass fiber, some of mechanical tests were done at room temperature (impact test and banding test). Result shows that the values of (modulus bending elastic and fracture toughness) increase fraction of fiber with the increase of PVC, E-glass, there include (thermal conductivity and dielectric constant). Also experimental result indicated that the (thermal conductivity and diele

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Publication Date
Sun Sep 07 2014
Journal Name
Baghdad Science Journal
Design and study for transmitter system of laser Nd-YAG (1.06 ?m)
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In this research , design and study a (beam expander) for the Nd – YAG laser with (1.06 ?m) Wavelength has been studied at 5X zoom with narrow diversion in the room temperature. by using (ZEMAX) to study the system. Evaluate its performance via (ZEMAX) outputs, as bright Spot Diagram via (RMS), Ray Fan Plot, Geometric Encircled Energy and the value of Focal shift. Then study the effect of field of view on the outputs in the room temperature.

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