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Quantum mechanical study of electronic properties of zigzag nanotubes (9,0) (SWCNTs)

Quantum calculations on the most stable structure were carried
out for calculating the electronic properties, energies and the charge
density at the Carbon and Hydrogen atoms by Semi-empirical
method (PM3) of zigzag carbon nano tube CNT (9,0) (SWCNTs), at
the equilibrium geometry depending on the pictures of Zigzag
CNT(9,0) which was found to has D3d symmetry point group by
applying for (Gaussian 2003) program. In this work the results
include calculation the relation for axial bonds length, which are the
vertical C-C bonds (annular bonds) in the rings and bonds length
which are in the outer ring that called the circumferential bonds. Also
include a different kind of vibration modes like breathing, puckering,
and deformation bending. They allow a comparative view of the
charge density at the carbon atom too. The aromaticity is graded
according to the space distribution of the atoms in zigzag nano tube
(9,0), the nature of their molecular orbitals depend on, their
symmetry, and chirality. Many studies were done measurements to
characterize nanotube mechanical properties for successful
applications in nanotechnology.

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Publication Date
Fri Jan 01 2021
Journal Name
Aip Conference Proceedings
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Publication Date
Fri Jan 01 2021
Journal Name
Aip Conference Proceedings
Study of rheological and mechanical properties of bitumen blended with two alpha phases of polyamide

The effect of D phase polyamide (PA6)on the rheological properties, Young Modulus and the thermal expansion coefficient of two blends groups (bitumen-polyamide) were tested. The first group was for bitumen-PA6 blends and the second group for bitumen blended with polymer resulted from the crystallization of PA6-formic acid solution in water(PAFW).The obtained results proved that adding both types of polyamide has led to a rise in toughness and softening point temperature while the penetration Index approached -3 after adding the polyamide. So, all these changes make bitumen-polyamide blends more suitable for use in hot climate regions. The blends properties were explained according to the reaction that takes place between the polyamide and

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Publication Date
Tue Oct 02 2018
Journal Name
Iraqi Journal Of Physics
Preparation of unsaturated polyester/nano ceramic composite and study electric, thermal and mechanical properties

The composites were manufactured and study the effect of addition of filler (nanoparticles SiO2 treated with silane) at different weight ratios (1, 2, 3, 4 and 5) %, on electrical, mechanical and thermal properties. Materials were mixed with each other using an ultrasound, and then pour the mixture into the molds to suit all measurements. The electrical characteristics were studied within a range of frequencies (50-1M) Hz at room temperature, where the best results were shown at the fill ratio (1%), and thermal properties at (X=3 %), the mechanical properties at the filler ratio (2%).

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Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
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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
Sat Apr 15 2023
Journal Name
Iraqi Journal Of Science
Study of Mechanical, Thermal and Barrier Properties of Biodegradable Polylactic acid-Polyethylene Glycol- Alumina Nanocomposite

Tensile , thermal, and barrier properties of polylactide PLA-based
nanocomposite films that were prepared by solvent casting method with
polyethylene glycol (PEG), and alumina were studied. PLA/PEG blend showed
decrease in tensile strength and Young modulus but increased in elongation in
PLA/PEG and increased in crystalline of PLA but decrease in glass transition
temperature with the increasing of PEG concentration . A nano blend composites of
PLA/PEG/alumina (50/50/4) when compared to PLA/PEG blend indicated that
tensile strength , Young modulus and glass transition temperature (Tg) increased
with adding alumina nano particles, concentration and barrier properties
improvement due to its nucleating and reinforc

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Publication Date
Sun Jun 03 2012
Journal Name
Baghdad Science Journal
Mechanical properties of carbon nanotube reinforced Epoxy Resin composites

Overlapped have been prepared from epoxy resin material added to carbon Nanotube and percentages weight (0.1, 0.05, 0.01) % Studied the mechanical properties of the composite (bending, tensile an d hardness) has been found that the Flexural and tensile modulus of the composites were higher than the pure epoxy resin this may be due to the high mechanical strength of carbon nano tube (CNT). The hardness of the epoxy carbon Nanotube composites increased and the reason is due to increased overlap and stacking between the additives and material basis, which reduces the movement of polymer molecules leading to increased resistance to scratching material and cutting, will become more resistance to plastic deformation.

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Publication Date
Sat Feb 01 2020
Journal Name
Optik
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Publication Date
Tue May 01 2012
Journal Name
Iraqi Journal Of Physics
Nano-Scale core effects on electronic structure properties of gallium arsenide

Ab – initio density function theory (DFT) calculations coupled with Large Unit Cell (LUC) method were carried out to evaluate the electronic structure properties of III-V zinc blend (GaAs). The nano – scale that have dimension (1.56-2.04)nm. The Gaussian 03 computational packages has been employed through out this study to compute the electronic properties include lattice constant, energy gap, valence and conduction band width, total energy, cohesive energy and density of state etc. Results show that the total energy and energy gap are decreasing with increase the size of nano crystal . Results revealed that electronic properties converge to some limit as the size of LUC increase .

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Publication Date
Fri Oct 14 2016
Journal Name
Functional Pavement Design
Effect of different variables on asphalt mechanical properties

Permanent deformation (rutting) of asphalt mixtures is one of the major forms of distress. Aggregate gradation is one of the most important factors affecting the permanent deformation of asphalt mixtures. Other variables are also important to understand their effects on the mixture such as temperature, binder content and compaction level. For this purpose 6 different aggregate gradations have been chosen and each one of them has been manufactured / tested with different variables. The results showed that at relatively low temperature there is little effect of aggregate packing on the permanent deformation. However, as the temperature increases the effect of gradation becomes apparent, in that the better the packing the better the resistance

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