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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Fri Jan 01 2021
Journal Name
Handbook Of Polymer Nanocomposites For Industrial Applications
Polyaniline-graphite nanocomposite based modified cladding optical fiber gas sensors
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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Enhanced hydrogen gas sensitivity employing sputtered deposited NiO thin films
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Publication Date
Wed Jun 15 2022
Journal Name
Journal Of Baghdad College Of Dentistry
Surface Characterization of PEKK Modified by stron-tium –hydroxyapatite coating as implant material Via the magnetron sputtering Deposition technique
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Background: The best material for dental implants is polyetherketoneketone (PEKK). However, this substance is neither osteoinductive nor osteoconductive, preventing direct bone apposition. Modifying the PEKK with bioactive elements like strontium hydroxyapatite is one method to overcome this (Sr-HA). Due to the technique's capacity to provide better control over the coating's properties, RF magnetron sputtering has been found to be a particularly useful technique for deposition.

Materials and methods : With specific sputtering conditions, the RF magnetron technique was employed to provide a homogeneous and thin coating on Polyetherketoneketone substrates.. the coatings were characterized by Contact angle, adhesion test, X-ray dif

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Publication Date
Wed Jun 15 2022
Journal Name
Journal Of Baghdad College Of Dentistry
Surface Characterization of PEKK Modified by stron-tium –hydroxyapatite coating as implant material Via the magnetron sputtering Deposition technique
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Background: The best material for dental implants is polyetherketoneketone (PEKK). However, this substance is neither osteoinductive nor osteoconductive, preventing direct bone apposition. Modifying the PEKK with bioactive elements like strontium hydroxyapatite is one method to overcome this (Sr-HA). Due to the technique's capacity to provide better control over the coating's properties, RF magnetron sputtering has been found to be a particularly useful technique for deposition. Materials and methods : With specific sputtering conditions, the RF magnetron technique was employed to provide a homogeneous and thin coating on Polyetherketoneketone substrates.. the coatings were characterized by Contact angle, adhesion test, X-ray

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Publication Date
Fri Dec 28 2018
Journal Name
Advances In Language And Literary Studies
Simplification Strategies in the Production of English Word-final Obstruent Clusters by Iraqi EFL College Students from A Markedness Theory Perspective
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This study investigates the phonotactics of English obstruent clusters in the word-final position from a markedness theory perspective among Iraqi EFL College Students whose native language, Arabic, prefers only two-member word-final obstruent cluster as a maximum. The markedness of clusters is measured depending on Iraqi EFL College Students’ utilization of the simplification strategies. This study tries to answer whether or not word-final obstruent clusters are marked or unmarked for Iraqi EFL College Students, and whether or not the markedness of the obstruent cluster increases as to its length. In order to answer these questions, a test has been distributed among 60 Iraqi EFL Fourth-Year College students, Department of English, Colleg

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Publication Date
Mon Mar 23 2020
Journal Name
Journal Of Engineering
Improving Photovoltaic Panel (PV) Efficiency via Two Axis Sun Tracking System
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In this paper two axis sun tracking method is used to absorb maximum power from the sun's rays on the solar panel via calculating the sun’s altitude and azimuth angles, which describe the solar position on the Iraqi capital Baghdad for the hours 6:00, 7:00, 8:00, 9:00, 12:00, 15:00 and 17:00 per day. The angles were calculated in an average approach within one month, so certain values were determined for each month. The daily energy achieved was calculated for the solar tracking method compared with the fixed tracking method. Designed, modeled and simulated a control circuit consisting of reference position truth table, PI Controller and two servomotors that tracked the sun position to adjust the PV panel perpendicular

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Publication Date
Sat Jul 20 2024
Journal Name
Journal Of Interdisciplinary Mathematics
Analytical solutions via coupled Elzaki adomian decomposition method for some applications
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An efficient combination of Adomian Decomposition iterative technique coupled Elzaki transformation (ETADM) for solving Telegraph equation and Riccati non-linear differential equation (RNDE) is introduced in a novel way to get an accurate analytical solution. An elegant combination of the Elzaki transform, the series expansion method, and the Adomian polynomial. The suggested method will convert differential equations into iterative algebraic equations, thus reducing processing and analytical work. The technique solves the problem of calculating the Adomian polynomials. The method’s efficiency was investigated using some numerical instances, and the findings demonstrate that it is easier to use than many other numerical procedures. It has

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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Polyaniline Nano Films Synthesis in One Step via Chemical Oxidative Polymerization
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Polyaniline films were successfully synthesized in this study using an oxidative polymerization method at temperatures ranging from 0 to 4 ° C. Polyaniline films were deposited using a single step of chemical oxidative polymerization rather than electrochemical polymerization. The polyaniline was examined using FTIR, XRD, SEM, AFM, and Four Point Probe. This result demonstrates that polyaniline synthesized using this method has a uniform morphology, small size (17 to 40) nm, high crystallinity, and high conductivity (9.42 s/cm).

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Publication Date
Thu Dec 28 2017
Journal Name
Al-khwarizmi Engineering Journal
Aircraft Lateral-Directional Stability in Critical Cases via Lyapunov Exponent Criterion
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Based on Lyapunov exponent criterion, the aircraft lateral-directional stability during critical flight cases is presented. A periodic motion or limit cycle oscillation isdisplayed. A candidate mechanism for the wing rock limit cycle is the inertia coupling between an unstable lateral-directional (Dutch roll) mode with stable longitudinal (short period) mode. The coupling mechanism is provided by the nonlinear interaction of motion related terms in the complete set equations of motion. To analyze the state variables of the system, the complete set of nonlinear equations of motion at different high angles of attack are solved. A novel analysis including the variation of roll angle as a function of angle of attack is proposed. Furthermore

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Publication Date
Fri Apr 26 2019
Journal Name
Journal Of Contemporary Medical Sciences
Breast Cancer Decisive Parameters for Iraqi Women via Data Mining Techniques
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Objective This research investigates Breast Cancer real data for Iraqi women, these data are acquired manually from several Iraqi Hospitals of early detection for Breast Cancer. Data mining techniques are used to discover the hidden knowledge, unexpected patterns, and new rules from the dataset, which implies a large number of attributes. Methods Data mining techniques manipulate the redundant or simply irrelevant attributes to discover interesting patterns. However, the dataset is processed via Weka (The Waikato Environment for Knowledge Analysis) platform. The OneR technique is used as a machine learning classifier to evaluate the attribute worthy according to the class value. Results The evaluation is performed using

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