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Comparison of Physical Properties, Energetic, Vibration Frequencies and Normal Coordinates, for Construction Units of Fullerene C60 Using Quantum Mechanical Calculations

PM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculation using Gaussian program view. Comparison was done for the distribution of electron density with the expense of vibration frequencies and for the relationship of all the physical and electronic properties of fullerene C60 with its construction units.

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Publication Date
Thu Jul 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Analytical Solutions to Investigate Fractional Newell-Whitehead Nonlinear Equation Using Sumudu Transform Decomposition Method

Some nonlinear differential equations with fractional order are evaluated using a novel approach, the Sumudu and Adomian Decomposition Technique (STADM). To get the results of the given model, the Sumudu transformation and iterative technique are employed. The suggested method has an advantage over alternative strategies in that it does not require additional resources or calculations. This approach works well, is easy to use, and yields good results. Besides, the solution graphs are plotted using MATLAB software. Also, the true solution of the fractional Newell-Whitehead equation is shown together with the approximate solutions of STADM. The results showed our approach is a great, reliable, and easy method to deal with specific problems

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Publication Date
Tue May 16 2023
Journal Name
Journal Of Engineering
Experimental Investigation Utilizing Thermal Image Technique to the Heat Transfer Enhancement Using Oscillated Fins

Heat transfer around a flat plate fin integrated with piezoelectric actuator used as oscillated fin in laminar flow has been studied experimentally utilizing thermal image camera. This study is performed
for fixed and oscillated single and triple fins. Different substrate-fin models have been tested, using fins of (35mm and 50mm) height, two sets of triple fins of (3mm and 6mm) spacing and three frequencies
applied to piezoelectric actuator (5, 30 and 50HZ). All tests are carried out for (0.5 m/s and 3m/s) in subsonic open type wind tunnel to evaluate temperature distribution, local and average Nusselt number (Nu) along the fin. It is observed, that the heat transfer enhancement with oscillation is significant compared to without o

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Publication Date
Thu Jun 30 2022
Journal Name
Iraqi Journal Of Laser
PDF Temporal Pulse Compression Using Double Cladding Polarization Maintaining Fiber Nested Mach- Zehnder Interferometer

 

Abstract: Narrow laser pulses have been essential sources in optical communication system. High data rate optical communication network system demands compressed laser source with unique optical property. In this work using pulsed duration (9) ns, peak power 1.2297mW, full width half maximum (FWHM) 286 pm, and wavelength center 1546.7 nm as compression laser source. Mach Zehnder interferometer (MZI) is built by considering two ways. First, polarization maintaining fiber (PMF) with 10 cm length is used to connect between laser source and fiber brag grating analysis (FBGA). Second, Nested Mach Zehnder interferometer (NMZI) was designed by using three PMFs with 10 cm length. These three Fibers are splicing to sing

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Publication Date
Sun Oct 01 2017
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Laparoscopic Low Anterior Resection using Endo GIA Radial Reload Stapler: early results (case series)

Background: Laparoscopic colectomy is performed in an increasing number of institutions as a minimally invasive treatment for benign and malignant large bowel disease. Laparoscopic rectal surgery enables more accurate visualization of the anatomical structure in the pelvic cavity for selected patients with tumors in the middle and low rectum.
Objectives: To determine the early outcome of patient who underwent laparoscopic low anterior resection using radial reload stapler.
Patients and methods: This is a prospective study of 8 patients with low or mid rectal cancer who underwent a laparoscopic low anterior resection between January 2017 till June 2017 at Saint Raphael hospital.
Results: Eight patients underwent elective laparosc

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Publication Date
Sat Aug 31 2019
Journal Name
Iraqi Journal Of Physics
Manufacturing Zener diode using ZnO-CuO-ZnO/Si structures deposited laser induced plasma technique

        In this paper Zener diode was manufactured using ZnO-CuO-ZnO/Si heterojunction structure that used laser induced plasma technique to prepare the nanofilms. Six samples were prepared with a different number of laser pulses, started with 200 to 600 pulses on ZnO tablet with fixed the number of laser pulses on CuO tablet at 300 pulses. The pulse energy of laser deposited was 900mJ using ZnO tablet and 600mJ using CuO tablet. All prepared films shown good behavior as Zener diode when using porous silicon as substrate.

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Publication Date
Sat Jun 01 2013
Journal Name
Journal Of Economics And Administrative Sciences
Using Random Dynamic Programming in Production Planning with Application in the midland Refineries Company

 

Abstract

     This research deals with Building A probabilistic Linear programming model  representing, the operation of production in the Middle Refinery Company (Dura, Semawa, Najaif) Considering the demand of each product (Gasoline, Kerosene,Gas Oil, Fuel Oil ).are random variables ,follows certain probability distribution, which are testing by using Statistical programme (Easy fit), thes distribution are found to be Cauchy distribution ,Erlang distribution ,Pareto distribution ,Normal distribution ,and General Extreme value distribution .              &

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Publication Date
Mon Dec 30 2019
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Biodiesel production from used vegetable oil (sunflower cooking oil) using eggshell as bio catalyst

Bio-diesel is an attractive fuel fordiesel engines. The feedstock for bio-diesel production is usually vegetable oil, waste cooking oil, or animal fats. This work provides an overview concerning bio-diesel production. Also, this work focuses on the commercial production of biodiesel. The objective is to study the influence of these parameters on the yield of produced. The biodiesel production affecting by many parameters such s alcohol ratio (5%, 10%,15 %, 20%,25%,30%35% vol.), catalyst loading (5,10,15,20,25) g,temperature (45,50,55,60,65,70,75)°C,reaction time (0-6) h, mixing rate (400-1000) rpm. the maximum bio-diesel production yield (95%) was obtained using 20% methanol ratio and 15g biocatalyst at 60°C.

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Publication Date
Thu Nov 30 2023
Journal Name
Iraqi Journal Of Science
COVID-19 Detection via Blood Tests using an Automated Machine Learning Tool (Auto-Sklearn)

     Widespread COVID-19 infections have sparked global attempts to contain the virus and eradicate it. Most researchers utilize machine learning (ML) algorithms to predict this virus. However, researchers face challenges, such as selecting the appropriate parameters and the best algorithm to achieve an accurate prediction. Therefore, an expert data scientist is needed. To overcome the need for data scientists and because some researchers have limited professionalism in data analysis, this study concerns developing a COVID-19 detection system using automated ML (AutoML) tools to detect infected patients. A blood test dataset that has 111 variables and 5644 cases was used. The model is built with three experiments using Python's Auto-

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Publication Date
Fri Feb 01 2019
Journal Name
Environmental Technology & Innovation
Cadmium removal using a spiral-wound woven wire meshes packed bed rotating cylinder electrode

The effect of electrolysis operating parameters on the removal efficiency of cadmium from a simulated wastewater was studied by adopting response surface methodology combined with Box–Behnken Design. As a new electrode design, spiral-wound woven wire mesh rotating cylinder electrode was used for cadmium removal. Current (240–400 mA), rotation speed (200–1000 rpm), initial cadmium concentration (200–600ppm), and cathode mesh number (30–60) were chosen as independent variables while the removal efficiency of cadmium was considered as a response function. The results revealed that the rotation speed has the major effect on the removal efficiency of cadmium. Regression analysis showed good fit of the experimental data to the second-or

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Publication Date
Mon Feb 04 2019
Journal Name
Journal Of The College Of Education For Women
Astronomi cal Color Image Compression Using Multilevel Block Truncation Coding –Modified Vector Quantization Technique

A common approach to the color image compression was started by transform
the red, green, and blue or (RGB) color model to a desire color model, then applying
compression techniques, and finally retransform the results into RGB model In this
paper, a new color image compression method based on multilevel block truncation
coding (MBTC) and vector quantization is presented. By exploiting human visual
system response for color, bit allocation process is implemented to distribute the bits
for encoding in more effective away.
To improve the performance efficiency of vector quantization (VQ),
modifications have been implemented. To combines the simple computational and
edge preservation properties of MBTC with high c

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