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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
Sun Jul 09 2023
Journal Name
Journal Of Engineering
Effect of high and low density polyethylene on some mechanical properties of concrete

The increasing use of plastics in various aspects of modern life resulted in the availability of enormous amount of wastes, including a negative effect on the environment and humans. So it is necessary to find solutions to deal with these wastes and ensure to use them as solutions to use in concrete mix . In this research the production of concrete containing high and low density polyethylene has been used by (5, 10, 15)% as a replacement of part of the volume of sand, so as to obtain concrete good compressive strength as well as other benefits such as improved possibility of pumping concrete and reduce the loss of concrete for workability polymer is a material that is non-absorbable of water . It is also intended to dispose of these was

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Publication Date
Tue Oct 30 2018
Journal Name
Journal Of Engineering
Active Vibration Control of Cantilever Beam by Using Optimal LQR Controller

Many of mechanical systems are exposed to undesired vibrations, so designing an active vibration control (AVC) system is important in engineering decisions to reduce this vibration. Smart structure technology is used for vibration reduction. Therefore, the cantilever beam is embedded by a piezoelectric (PZT) as an actuator. The optimal LQR controller is designed that reduce the vibration of the smart beam by using a PZT element.  

In this study the main part is to change the length of the aluminum cantilever beam, so keep the control gains, the excitation, the actuation voltage, and mechanical properties of the aluminum beam for each length of the smart cantilever beam and observe the behavior and effec

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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

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
Tue Jan 01 2019
Journal Name
Energy Procedia
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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings
Evaluation of mechanical properties and cytotoxicity of maxillofacial silicone material after incorporation of zirconia nanopowder

Resilient polymeric materials such as silicone elastomers are currently used for maxillofacial prostheses construction but the strength of these materials and their clinical performance need to be optimized with the addition of reinforcing fillers. This study investigates the effect of zirconia nanopowder addition on tear strength, tensile strength, elongation at break, Shore A hardness, surface roughness and cytotoxicity of VST-50 maxillofacial silicone. Silicone base was mixed with different amounts (1%, 2% and 3%) of zirconia nanopowder using a vacuum mixer. Silicone without filler was used as control for comparison. Scanning Electron Microscopy and Atomic Force Microscopy were utilized to assess the efficiency of high-shear vacuum mixin

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Publication Date
Tue Mar 01 2022
Journal Name
Journal Of Engineering
Scheme for Generating True Random Numbers using Electro-mechanical Switches

This paper proposes a novel method for generating True Random Numbers (TRNs) using electromechanical switches. The proposed generator is implemented using an FPGA board. The system utilizes the phenomenon of electromechanical switch bounce to produce a randomly fluctuated signal that is used to trigger a counter to generate a binary random number. Compared to other true random number generation methods, the proposed approach features a high degree of randomness using a simple circuit that can be easily built using off-the-shelf components. The proposed system is implemented using a commercial relay circuit connected to an FPGA board that is used to process and record the generated random sequences. Applying statistical testing on the exp

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Publication Date
Tue Mar 01 2022
Journal Name
Journal Of Engineering
Scheme for Generating True Random Numbers using Electro-mechanical Switches

This paper proposes a novel method for generating True Random Numbers (TRNs) using electromechanical switches. The proposed generator is implemented using an FPGA board. The system utilizes the phenomenon of electromechanical switch bounce to produce a randomly fluctuated signal that is used to trigger a counter to generate a binary random number. Compared to other true random number generation methods, the proposed approach features a high degree of randomness using a simple circuit that can be easily built using off-the-shelf components. The proposed system is implemented using a commercial relay circuit connected to an FPGA board that is used to process and record the generated random sequences. Applying statistical testing on th

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Crossref
Publication Date
Tue Dec 01 2009
Journal Name
Journal Of Economics And Administrative Sciences
Using Artificial Neural Network Models For Forecasting & Comparison

The Artificial Neural Network methodology is a very important & new subjects that build's the models for Analyzing, Data Evaluation, Forecasting & Controlling without depending on an old model or classic statistic method that describe the behavior of statistic phenomenon, the methodology works by simulating the data to reach a robust optimum model that represent the statistic phenomenon & we can use the model in any time & states, we used the Box-Jenkins (ARMAX) approach for comparing, in this paper depends on the received power to build a robust model for forecasting, analyzing & controlling in the sod power, the received power come from

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Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Journal Of Science
Study of the Effect of pH on the Optical Properties of the CdTe Quantum Dots

     This research aims to study the effect of different pH values on the growth of CdTe nanoparticles during specific times. The reflux method has been used as a method for preparing CdTe quantum dots. A difference in absorbance and intensities of peaks at pH 10.5 and 11.5 was observed during the reaction period. The growth rate of the NPs (nucleation) was irregular at low pH values. Optical examinations showed that the best growth rate of NPs was at pH value 12.

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Publication Date
Wed Jun 26 2019
Journal Name
Iraqi Journal Of Science
Quantum Key Distribution and Chaos Bandwidth Effects on Impact Security of Quantum Communications

The influence of bias current on the bandwidth of chaotic signals in semiconductor lasers by optical feedback has been studied experimentally and numerically. The measured data reveal that the bandwidth increase when the system becomes chaotic and this chaotic signal has a broadband spectrum so it can be used as a carrier for the quantum key. Mixing chaotic signal and quantum key make a very small change in chaotic bandwidth that does not affect the security of data transmitted.

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