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jih-2794
Calculate the Thermal Properties of (S2F2) Using Semi-empirical Quantum Mechanics (MNDO / PM3)
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In this paper, thermal properties were performed by using semi-empirical theoretical calculations to study the molecular structure of a nonlinear molecular system, the (S2F2) molecule in the infrared region, by using semi-empirical quantum programs in the (MNDO / PM3) method. This study is under the condition of obtaining the stable structure of the molecule in which the molecule obtains the minimum value of the total energy. The thermodynamic properties were also calculated, including the heat of formation, whose value was (-61.002kcal / mol),  the entropy and its value (78.2916 cal / mol.k), as well as the heat capacity  (15.9454 cal / mol.k) and the enthalpy (3763.434 cal /mol),  Gibbs Free Energy, it was valued at (-19567.5 cal / mol), these values ​​were taken at the standard temperature 298 k, withdrawing these relationships in graphs and showing the changes in the state That the molecule passes through, and comparing these values with the experimental results.

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Publication Date
Sun Sep 24 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Using The Ultrasonic Waves For Studying Thermal And Elastic Properties as a Function of Porosity in Sintered ceramic
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Ultrasonic pulse echo measurements on porous alumina as ceramic

material with porosities ranging from (20-40)% showed effect of volume

fraction of porosity on both thermal and elastic properties. A quadratic relationships, by using a least squares method, is deduced for the dependence of the shear velocity, longitudinal velocity, shear modulus, Young's modulus,  bulk  modulus, Poisson 's ratio, Debye temperature, specific heat, and thermal conductivity on the total  porosity. By these relationships,  the  thermal  and  elastic  properties  results  of  pore-free alumina  were  calculated.  The  elastic  properties  results  of  

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Publication Date
Fri Mar 01 2024
Journal Name
Baghdad Science Journal
Study the Structural Properties of Porous Silicon and their Applications as Thermal Sensors
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The photo-electrochemical etching (PECE) method has been utilized to create pSi samples on n-type silicon wafers (Si). Using the etching time 12 and 22 min while maintaining the other parameters 10 mA/cm2 current density and HF acid at 75% concentration.. The capacitance and resistance variation were studied as the temperature increased and decreased for prepared samples at frequencies 10 and 20 kHz. Using scanning electron microscopy (SEM), the bore width, depth, and porosity % were validated. The formation of porous silicon was confirmed by x-ray diffraction (XRD) patterns, the crystal size was decreased, and photoluminescence (PL) spectra revealed that the emission peaks were centered at 2q of 28.5619° and 28.7644° for et

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Publication Date
Tue Mar 01 2022
Journal Name
Iraqi Journal Of Physics
The Confinement Profile Effect on the Optical Properties in Different Inverse-shaped Single InGaN/GaN Quantum Wells
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In this work, the effects of size, and temperature on the linear and nonlinear optical properties in InGaN/GaN inverse parabolic and triangular quantum wells (IPQW and ITQW) for different concentrations at the well center were theoretically investigated. The indium concentrations at the barriers were fixed to be always xmax = 0.2. The energy levels and their associated wave functions are computed within the effective mass approximation. The expressions of optical properties are obtained analytically by using the compact density-matrix approach. The linear, nonlinear, and total absorption coefficients depending on the In concentrations at the well center are investigated as a function of the incident photon energy for different

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Publication Date
Sun Nov 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
Theoretical and experimental studies for different compounds to calculate: electronic transfer, energy gap and NLO properties
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This work involves theoretical and experimental studies for seven compounds to calculate the electrons spectrum and NLO properties. The theoretical study is done by employing the Time Depending Density Functional Theory TD-DFT and B3LYP/high basis set 6-311++G (2d,2p), using Gaussian program 09. Experimental study by UV/VIS spectrophotometer device to prove the theoretical study. Theoretical and experimental results were applicable in spectrum and energy gap values, in addition to convergence theoretically the energy gap results from ΔEHOMO-LUMO and UV/VIS. spectrum. Consider the theoretical method very appropriate to compounds that absorb in vacuum UV.

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Publication Date
Sun Oct 01 2023
Journal Name
Solid State Communications
Influence of In-dopant on the optoelectronic properties of thermal evaporated CuAlTe2 films
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Publication Date
Fri Jun 12 2020
Journal Name
Test Engineering & Management
Studying the Optical Properties of CdSe Quantum Dots Prepared by Colloidal Method with Different pH Values
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Publication Date
Thu Dec 23 2021
Journal Name
Iraqi Journal Of Science
Design of a Sustainable City in Iraq Using SAM Program to Calculate Renewable Energy
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    Urban design and human activity are main causes of environmental pollution and climate change, such as reliance on energy production plants, factories and transportation that depend on fossil fuels, in addition to transformation of most green areas into residential areas. This paper aims to establish a sustainable city with an environment friendly urban design that contributes to exploitation of natural resources in the generation of electric power, use of green means of transport and thus the reduction of pollution. Anah site was chosen as the best site for designing a sustainable city, with its natural resources, air quality and moderate climate. The total area of ​​the city is 9990187m2 divided into s

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Publication Date
Mon Jan 29 2018
Journal Name
Iraqi Journal Of Science
Study the Effect of Temperature on Structural, Mechanical and Thermal Properties of PVC/CaCO3 Composite
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In the present study, the structural properties which included the X-rays diffraction, and DSC, the mechanical properties, which include tensile test, threepoint bending test (Bending Test), hardness test and thermal conductivity of the polymers reinforced with calcite (PVC/CaCO3) at different temperature (25-40-80-
120-160-200-220) °C. The research results showed that the XC degree of X-ray diffraction decreased at high temperatures (220 ˚C), while the inter-polymerized polymer (PVC / CaCO3) increased at high temperatures. The DSC test results showed that the degree of crystallinity (XC) decreases at high temperatures (220 ˚C). The mechanical test results, their values were found to decrease at (

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Publication Date
Fri Jul 28 2017
Journal Name
Iraqi Journal Of Science
Morphological and Optical Properties of CdS Quantum Dots Synthesized with different pH values
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Publication Date
Sun Dec 05 2021
Journal Name
Iraqi Journal Of Science
Morphological and Optical Properties of CdS Quantum Dots Synthesized with different pH values
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Quantum dots (QDs) of cadmium sulfide (CdS) was prepared by chemical
reaction method with different potential of hydrogen (pH) values. The
morphological and optical measurements of cadmium sulfide QDs were considered
by atomic force microscopy (AFM), ultraviolet-visible (UV-VIS.) and
photoluminescence (PL) spectrometer respectively. The energy gap (Eg) was
calculated from photoluminescence spectra were found to be about 2.7, 2.6 and 2.5
eV at pH values 8, 10 and 12 respectively for CdS QDs. The decreasing of energy
gaps is rises from the effect the pH solution increases, which in turn leads to the
shifted of the PL spectrum toward red shifted, which creates the energy bands at
surface states are shallow bands.

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