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Ab initio study of structural, mechanical and electronic properties of 3d transitional metal carbide in cubic rocksalt (rs), zincblende (zb), and cesium chloride (cc) structures by using LDA and GGA Approximation
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This study rigorously investigates three 3d transition metal carbide (TMC) structures via LDA and GGA approximations. It examines cohesive energy (Ecoh), Vickers hardness (Hv), mechanical stability, and electronic properties. Notably, most 3d TMCs exhibit higher cohesive energy than nitrides, and rs-TiC demonstrates a Vickers hardness of 25.66 GPa, outperforming its nitride counterpart. The study employs theoretical calculations to expedite research, revealing mechanical stability in CrC and MnC (GGA) and CrC (LDA in cc structure), while all 3d TMCs in rs and seven in zb structures show stability. Charge transfer and bonding analysis reveal enhanced covalency along the series, influenced by the interplay between p orbitals of carbon and d orbitals of the metal. Most 3d TMCs exhibit metallic properties, excluding zb-TiC and zb-FeC in all phases. An inverse correlation between elastic constant C44 and electronic states near the Fermi level (EF) emerges, guiding applications and design. This study efficiently uncovers 3d TMC properties, offering insights for applications and design.

Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Structural and Optical Properties of SnS2:Cu Thin films prepared by chemical Spbay Pyrolysis
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Thin filis have been prepared from the tin disulphide (SnS2 ), the pure and the doped with copper (SnS2:Cu) with a percentages (1,2,3,4)% by using ahemical spray pyrolysis techniqee on substrate of glass heated up to(603K)and sith thicknesses (0.7±0.02)?m ,after that the films were treated thermally with a low pressure (10-3mb) and at a temperature of (473K) for one hour. The influence of both doping with copper and the thermal treatment on some of the physical characteristics of the prepared films(structural and optical) was studied. The X-ray analysis showed that the prepared films were polycrystalline Hexagonal type. The optical study that included the absorptance and transmitance spectra in the weavelength range (300-900)nm

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Publication Date
Tue Jan 30 2018
Journal Name
Iraqi Journal Of Science
Structural and dielectric properties of Zr doped BaTiO3 synthesized by microwave assisted chemical route
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Lead-free ferroelectric nano ceramics of BaZrxTi1-xO3 (x=0.1, 0.2 and 0.3) were prepared by means of microwave assisted chemical route. The structural, dielectric and electrical properties were examined. The crystalline structure of the specimens was studied by X-ray diffraction patterns. All the samples showed pure single phase of perovskite structure with space group of I4/mcm. X-ray diffraction data illustrated that there is no secondary phases exist. Structural and electrical properties of barium titanate ceramics are influenced significantly by small additions of Zr. The electrical conductivity showed higher values at x=0.2 and decreased at higher Zr content. The Hall charge mobility is found

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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Structural and optical properties of CdS:Sn thin films prepared by chemical spray pyrolysis method
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CdS and CdS:Sn thin films were successfully deposited on glass
substrates by spray pyrolysis method. The films were grown at
substrate temperatures 300 C°. The effects of Sn concentration on the
structural and optical properties were studied.
The XRD profiles showed that the films are polycrystalline with
hexagonal structure grown preferentially along the (002) axis. The
optical studies exhibit direct allowed transition. Energy band gap
vary from 3.2 to 2.7 eV.

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Publication Date
Tue Apr 05 2022
Journal Name
Nano Hybrids And Composites
Structural and Optical Properties of ZnO Nanostructures Synthesized by Hydrothermal Method at Different Conditions
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ZnO nanostructures were synthesized by hydrothermal method at different temperatures and growth times. The effect of increasing the temperature on structural and optical properties of ZnO were analyzed and discussed. The prepared ZnO nanostructures were characterized by X-ray diffraction (XRD), UV–Vis. absorption spectroscopy (UV–Vis.), Photoluminescence (PL), and scanning electron microscopy (SEM). In this work, hexagonal crystal structure prepared ZnO nanostructures was observed using X-ray diffraction (XRD) and the average crystallite size equal 14.7 and 23.8 nm for samples synthesized at growth time 7 and 8 hours respectively. A nanotubes-shaped surface morphology was found using scanning electron microscopy (SEM). The optic

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Publication Date
Wed Sep 13 2023
Journal Name
Aip Conference Proceedings
Structural and optical properties of iron oxide α-Fe2O3 nanowires prepared by hydrothermal method
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Publication Date
Thu Oct 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Investigating the Structural and Magnetic Properties of Nickel Oxide Nanoparticles Prepared by Precipitation Method
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This work used the deposition method to synthesize nickel oxide nanoparticles. The materials mainly used in this study were nickel sulfate hexahydrate (as a precursor) and NaOH (as a precipitant). The properties of the nanopowder were characterized by XRD, FE-SEM, EDX, and VSM. The obtained results confirmed the presence of nickel oxide nanoparticles with a face-centered cubic (FCC) structure with a lattice constant (a=4.17834 Å). Scherer and Williamson-Hall equations were used to calculate the crystallite size of about (30.5-35.5) nm. The FE-SEM images showed that the particle shape had a ball-like appearance with a uniform and homogeneous distribution and confirmed that the particles were within the nanoscale. The presence of oxygen a

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Publication Date
Tue Sep 25 2018
Journal Name
Iraqi Journal Of Science
3D Seismic Structural Study of the Lower Cretaceous Sequence in Kifl oil field_ central Iraq
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     This research focused up on the Seismic reflection study of a 268.7 km2 area located in the central of Iraq within the Karbala province (Kifl area). The seismic data were reprocessed by Anadarko Petroleum Corporation and its partners Dome International and Vitol with OEC in 2005, the result of processing works has improved the quality of seismic sections in most of the study area.  The study area was interpreted by using 3-D seismic data from the Oil Exploration Company. By studying the seismic sections and applying seismic attributes (instantaneous phase) Faults were picked across 3D seismic volume of the studied reflectors. The study area affected by a major fault and minor normal faults, Two fa

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Publication Date
Sun Oct 01 2017
Journal Name
Journal Of Engineering
Comparison the Physical and Mechanical Properties of Composite Materials (Al /SiC and Al/ B4C) Produced by Powder Technology
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In this investigation, metal matrix composites (MMCs) were manufactured by using powder technology. Aluminum 6061 is reinforced with two different ceramics particles (SiC and B4C) with different volume fractions as (3, 6, 9 and 12 wt. %). The most important applications of particulate reinforcement of aluminum matrix are: Pistons, Connecting rods etc. The specimens were prepared by using aluminum powder with 150 µm in particle size and SiC, B4C powder with 200 µm in particle size. The chosen powders were mixed by using planetary mixing setup at 250 rpm for 4hr.with zinc stearate as an activator material in steel ball milling. After mixing process the powders were compacted by hydraulic

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Publication Date
Sat Sep 23 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Direct Estimation for Approximation by Bernstein Polynomial by Using Ditzian-Totik and Average in L Ja,h11 p < oo Modulus of Smoothness
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The  purpose  of  the  paper  is  to  tind  the  degree  of  the approximation of a functions  f be bounded , measurable and defined

in  interval   [a,h]by  Bernstein  polynomial  in  LP    space  1 $ p < oo by

 

using Ditzian-Totik modulus  of smootlmess  and  k 1n  average modvlus of smoothness.

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Publication Date
Tue Aug 01 2017
Journal Name
International Journal Of Innovative Research In Science, Engineering And Technology
Nasal Prosthesis Fabrication using Rapid Prototyping and 3D Printing (A Case Study)
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Abstract: Facial defects resulting from neoplasms, congenital, acquired malformations or trauma can be restored with facial prosthesis using different materials and retention methods to achieve life-like look and function. A nasal prosthesis can re-establish aesthetic form and anatomic contours for mid-facial defects, often more effectively than by surgical reconstruction as the nose is relatively immobile structure. For successful results, lot of factors such as harmony, texture, color matching and blending of tissue interface with the prosthesis are important. The aim of this study is to describe the non-surgical rehabilitation with nasal prosthesis for an Iraqi patient who received rhinectomy as a result of squamous cell carcinoma of the

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