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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 Mar 31 2017
Journal Name
Journal Of Engineering
hermo-Physical and Mechanical Properties of Unsaturated Polyester /Cobalt Ferrite Composites

Unsaturated polyester was used as a matrix which was filled with different percentages of cobalt ferrite using hand lay-up method. Cobalt ferrite was synthesized using solid state ceramic method with reagent of CoO and Fe2O3. Mechanical properties such tensile strength, Young's modulus and shore D hardness of the composite have been studied. All these properties have increased by 10% with increasing cobalt ferrite contents. Also the thermal properties such thermal conductivity and specific heat capacity are highly increased as the ferrite content increased, while the thermal diffusivity increased by 22 %. On the other hand dielectric strength of composite has been measured which increased by 50% by increasing the cobalt ferrite content.&

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Publication Date
Mon Jun 01 2015
Journal Name
Journal Of Engineering
Mechanical Properties Of AA 6061-T6 Aluminum Alloy Friction Stir Welds

The different parameters  on  mechanical  and  microstructural  properties  of  aluminium  alloy  6061-T6 Friction  stir-welded  (FSW) joints  were investigated in the  present study. Different welded  specimens were produced by employing variable rotating  speeds and welding speeds. Tensile strength of the produced joints  was tested at room  temperature and the the effecincy was assessed, it was 75% of the base metal at rotational speed 1500 rpm and weld speed 50 mm/min. Hardness of various zones of FSW welds are presented and  analyzed by  means of  brinell hardness number . Besides to thess tests the bending properties  investigat

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Publication Date
Fri Jul 02 2021
Journal Name
Iraqi Journal Of Science
UV-Exposure effect on the mechanical properties of PEO/PVA blends

 

     Poly ethylene oxide PEO / Poly vinyl alcohol PVA  blends were prepared by cast method at different ratios of (25%PEO/75%PVA, 30%PEO/70%PVA, 35%PEO/65%PVA, 40%PEO/60%PVA, and 50%PEO/505PVA). Samples miscibility ,and thermal stability were studied  by using differential scanning calorimetry(DSC),and thermo gravimetric analysis (TGA) analysis. The results proved that there was one glass transition temperature (Tg=160°C) at 25%PEO\PVA ratio
)that was attributed to its miscibility. This miscibility associated with (Hydrogen  bonds) between (Hydroxyl group) in PVA, and PEO, whereas there were two glass transition temperature for the blends ratio more than 30%PEO,that was due its immisc

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Publication Date
Thu Dec 23 2021
Journal Name
Iraqi Journal Of Science
A Kinetic Study for Malachite Green Removal of Adsorption over Multiwall Carbon Nanotubes

    Current study was carried out to determine the adsorption ability of the Multiwall carbon nanotubes (MWCNTs) by adsorption Malachite Green dye from an aqueous solution. Crystal structure of the materials was measured using powder X-rays diffraction (PXRD), UV–Vis diffuse reflectance and specific surface area (BET). Many parameters that affecting the adsorption process such as contact time, pH, adsorbent dosage, initial dye concentration and temperature were studied. The outcome showed that an increasing occurred in the adsorbent dosage and the rate of dye removal, and the best efficiency for Malachite Green dye removal was amounted 99. 11 %. The results were obtained at optimal reaction conditions were pH = 5.5, cata

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Publication Date
Sat Sep 01 2018
Journal Name
International Journal Of Medical Research & Health Sciences
Effect of Silver-Zinc Zeolite Addition on Mechanical Properties of Maxillofacial Silicone

Background: Deterioration of maxillofacial silicone properties due to microbial colonization is a common problem and leads to the replacement of the prosthesis. Incorporation of the antimicrobial agent into the silicone could be a solution. The purpose of this study was to evaluate the effect of silver-zinc zeolite addition on some mechanical properties of a maxillofacial silicone (VST-50). Materials and methods: Total 120 specimens were fabricated and divided into 3 groups: 40 specimens for tear strength test, 40 specimens for tensile and percentage of elongation tests and 40 specimens for Shore A hardness and surface roughness. Each group was divided into 4 subgroups according to the amount of zeolite added (0% “control”, 0.5%, 1% and

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Publication Date
Wed Jun 01 2022
Journal Name
Civil And Environmental Engineering
Effect of Alkali - Activated Natural Pozzolan on Mechanical Properties of Geopolymer Concrete
Abstract<p>As an alternative to Ordinary Portland Cement (OPC), the alkali-activated binders have been developed with better technical characteristics and more extended durability. The Alkali-Activated Iraqi Natural Pozzolans (AANP) could produce geopolymer cementation building materials and make them ecologically acceptable. The primary advantage of geopolymer cement is that it has a lower environmental effect that contributes to it. The engineering characteristics of geopolymer concrete produced using activated Iraqi natural Pozzolan are summarized in this research. The mechanical properties, modulus of elasticity, and ultrasonic pulse velocity of various concrete mixes were determined via exp</p> ... Show More
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Publication Date
Mon Mar 01 2021
Journal Name
Iraqi Journal Of Physics
Investigation of Structural, Mechanical, Thermal and Optical Properties of Cu Doped TiO2

In this work, Pure and Cu: doped titanium dioxide nano-powder was prepared through a solid-state method. the dopant concentration [Cu/TiO2 in atomic percentage (wt%)] is derived from 0 to 7 wt.%. structural properties of the samples performed with XRD revealed all nanopowders are of titanium dioxide having polycrystalline nature. Physical and Morphological studies were conducted using a scanning electronic microscope SEM test instrument to confirm the grain size and texture. The other properties of samples were examined using an optical microscope, Lee's Disc, Shore D hardness instrument, Fourier-transform infrared spectroscopy (FTIR), and Energy-dispersive X-ray spectroscopy (EDX). Results showed that the thermal conductivity

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Publication Date
Wed Jun 01 2022
Journal Name
Civil And Environmental Engineering
Effect of Alkali - Activated Natural Pozzolan on Mechanical Properties of Geopolymer Concrete

As an alternative to Ordinary Portland Cement (OPC), the alkali-activated binders have been developed with better technical characteristics and more extended durability. The Alkali-Activated Iraqi Natural Pozzolans (AANP) could produce geopolymer cementation building materials and make them ecologically acceptable. The primary advantage of geopolymer cement is that it has a lower environmental effect that contributes to it. The engineering characteristics of geopolymer concrete produced using activated Iraqi natural Pozzolan are summarized in this research. The mechanical properties, modulus of elasticity, and ultrasonic pulse velocity of various concrete mixes were determined via experimental study. The impact of essential variables like w

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Publication Date
Wed Jul 01 2015
Journal Name
Journal Of Engineering
Studying of Some Mechanical Properties of Reactive Powder Concrete Using Local Materials

This research aims to investigate and evaluate a reactive powder concrete (RPC) cast using economical materials. Its mechanical properties were investigated and evaluated by studying the effects of using different cement and silica fume contents and locally steel fibers aspect ratios as reinforcement for this concrete. A compressive strength of about 155.2MPa, indirect tensile strength of 16.0MPa, modulus of elasticity of 48.7GPa, flexural strength of 43.5MPa, impact energy of 3294.4kN.m and abrasion loss 0.59%  have been achieved for reinforced RPC contains  910 kg/m3 cement content, silica fume content 185 kg/m3 of cement weight and fiber volume fraction 2%. The water absorption values w

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Publication Date
Fri Sep 21 2018
Journal Name
Materials Research Express
Geometries, electronic properties and stability of molybdenum and tungsten nitrides low-index surfaces

Motivated by the vital role played by transition metal nitride (TMN) composites in various industrial applications, the current study reports electronic properties, thermodynamic stability phase diagram, and vacancy formation energies of the plausible surfaces of NiAs and WC-type structures of δ3-MoN and δ-WN hexagonal phases, respectively. Low miller indices of various surface terminations of δ3-MoN and δ-WN namely, (100), (110), (111), and (001) have been considered. Initial cleaving of δ3-MoN bulk unit cell offers separate Mo and N terminations signified as δ3-MoN (100): Mo, δ3-MoN(100):N, δ3-MoN(111):Mo, δ3-MoN(111):Mo, and δ3-MoN(001):Mo. However, the (110) plane reveals mix-truncated with both molybdenum and nitrogen atoms i

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