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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
Wed Mar 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Mesomorphic and Dielectric Properties of Heterocyclic Liquid Crystals with Different Terminal Groups
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    A new hetrocyclic liquid crystal compounds containing 1,3,4-oxadiazole with different substituted in para position (Bromo, Chloro, Nitro and Methyl) were synthesized and characterized by melting points, FTIR Spectroscopy and 1HNMR spectroscopy for [Cl-SR6] and [NO2-SR6] compounds. The liquid crystalline properties of the synthesized compounds were studied by using hot-stage polarizing optical microscopy (POM), so they determined the transition enthalpies and entropies by using differential scanning calorimetery (DSC). All of the compounds show mesomorphic properties. The compounds [Br-SR6], [Cl-SR6] and [NO2SR6] exhibit an enantiotropic dimorphism smectic (Sm) phase, while the compounds [MeSR6] showed nematic (N) phase thro

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Publication Date
Fri Sep 01 2017
Journal Name
Inorganica Chimica Acta
Synthesis, characterization and liquid crystalline properties of novel benzimidazol-8-hydroxyquinoline complexes
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The synthesis, characterization and liquid crystalline properties of N4,N40 -bis((1 H-benzo[d]imidazol-2- yl)methyl)-3,30 -dimethyl-[1,10 -biphenyl]-4,40 -diamine and of their corresponding Mn(II), Fe(II), Ni (II), Cu(II), and Zn(II) complexes are described. The ligand and complexes have been characterized by elemental analysis, magnetic susceptibility measurements (meff), conductometric measurements and Fourier Transform Infrared (FTIR), Nuclear Magnetic Resonance (1 H NMR), (13C-NMR) and UV–Vis spectroscopy. Spectral investigations suggested octahedral coordination geometrical arrangement for M(II) complexes. The phase transition temperatures were detected by differential scanning calorimetry (DSC) analysis and the phases are confirmed

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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
A.C conductivity and dielectric properties of (PVA/ PEO) blends doped with MWCNTs
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A.C electrical conductivity and dielectric properties for poly
(vinyl alcohol) (PVA) /poly (ethylene oxide) (PEO) blends undoped
and doped with multi-walled carbon nanotube (MWCNTs) with
different concentrations (1, and 3 wt %) in the frequency range
(25x103 - 5x106 Hz) were investigated. Samples of (PVA/PEO)
blends undoped and doped with MWCNTs were prepared using
casting technique. The electrical conductivity measurements showed
that σA.C is frequency dependent and obey the relation σA.C =Aωs for
undoped and doped blends with 1% MWCNTs, while it is frequency
independent with increases of MWCNTs content to 3%. The
exponent s showed proceeding increase with the increase of PEO
ratio (≥50%) for undope

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Publication Date
Mon Apr 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Measurement of Radioactivity in Some Commercial Porcelain Samples by Using HPGe Detector
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     Estimations of specific activity concentrations in eight commercial porcelain tiles made in different countries were performed by the use of HPGe detector. We have found that the highest specific activity concentrations for 238U, 40K were equal to (21.120 Bq/kg) and (283.862 Bq/kg) respectively, Iranian origin, while the highest specific activity concentration for 232Th was found to be equal to (29.292 Bq/kg), Iraqi origin; all of which were less than their corresponding recommended values given by (UNSCEAR, 2000). The radiation hazard indices [IÉ£ , Hin ,Hex , Raeq ,DÆ” , (AEDE) in and (AEDE) out] w

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Publication Date
Fri Mar 01 2024
Journal Name
Baghdad Science Journal
Spatial Distribution of Heavy Element in Erbil's Municipal Landfills by Using GIS
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Untreated municipal solid waste (MSW) release onto land is prevalent in developing countries. To reduce the high levels of harmful components in polluted soils, a proper evaluation of heavy metal concentrations in Erbil's Kani Qrzhala dump between August 2021 and February 2022 is required. The purpose of this research was to examine the impact of improper solid waste disposal on soil properties within a landfill by assessing the risks of contamination for eight heavy elements in two separate layers of the soil by using geoaccumulation index (I-geo) and pollution load index (PLI) supported. The ArcGIS software was employed to map the spatial distribution of heavy element pollution and potential ecological risks. The I-geo values in summe

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Publication Date
Tue Jan 10 2012
Journal Name
Iraqi Journal Of Community Medicine
Evaluation of physical parameters in mitral valve stenosis by using Doppler Ultrasound
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Background: Mitral valve stenosis is a condition in which the hearts mitral valve is narrowed (stenosis), This narrowing blocks the valve from opening properly obstructing blood flow through the heart and the rest of the body and this causes changes in physical parameters (resistance and conductance). Aim of the study: To assess the changes in the physical parameters in mitral valve stenosis disease in different gender and age by using Doppler ultrasound. Methods : The examination of patients at the Division of Echo - at the Iraqi Center for Heart Disease in Medical City for surgery specialist - Baghdad - Iraq, during(February2009 till November2010). The current study included fifty eight cases containing (27 males and 31 females) ages rang

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Publication Date
Thu Oct 15 2020
Journal Name
Iop Conf. Series: Journal Of Physics: Conf. Series
Estimate the Rate of Contamination in Baghdad Soils By Using Numerical Method
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The aim of this paper is to evaluate the rate of contamination in soils by using accurate numerical method as a suitable tool to evaluate the concentration of heavy metals in soil. In particular, 2D –interpolation methods are applied in the models of the spread the metals in different direction.The paper illustrates the importance of the numerical method in different applications, especially nvironment contamination. Basically, there are many roles for approximating functions. Thus, the approximating of function namely the analytical expression may be expressed; the most common type being is polynomials, which are the easy implemented and simplest methods of approximation. In this paper the divided difference formula is used and extended

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Publication Date
Mon Jun 01 2020
Journal Name
Al-khwarizmi Engineering Journal
Prediction of Cutting Force in Turning Process by Using Artificial Neural Network
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Cutting forces are important factors for determining machine serviceability and product quality. Factors such as speed feed, depth of cut and tool noise radius affect on surface roughness and cutting forces in turning operation. The artificial neural network model was used to predict cutting forces with related to inputs including cutting speed (m/min), feed rate (mm/rev), depth of cut (mm) and work piece hardness (Map). The outputs of the ANN model are the machined cutting force parameters, the neural network showed that all (outputs) of all components of the processing force cutting force FT (N), feed force FA (N) and radial force FR (N) perfect accordance with the experimental data. Twenty-five samp

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Publication Date
Sun Dec 30 2007
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Prevention of Scale Formation in Heat Exchanger Pipes by Using Magnetic Field
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The possibility of using the magnetic field technique in prevention of forming scales in heat exchangers pipes using
hard water in heat transfer processes, also the studying the effective and controllable parameters on the mechanism of
scale formation.
The new designed heat exchanger experimental system was used after carrying out the basic process designs of the
system. This system was used to study the effect of the temperature (40-90 °C) and water flow rate (0.6-1.2 L/min) on
the total hardness with time as a function of precipitation of hardness salts from water and scale formation.
Different magnetic field designs in the heat exchanger experimental system were used to study the effect of magnetic
field design a

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Publication Date
Sun Nov 01 2020
Journal Name
Journal Of Physics: Conference Series
Measurement of Natural Radioactivity in different cigarettes samples by using (HPGe) detector
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Abstract<p>Twelve samples of cigarettes have been collected from local markets of different types and origins by using (HPGe) detector, and measurement of the specific activity for series U<sup>238</sup> and series Th<sup>232</sup> in addition to K<sup>40</sup> in order to estimate the health risk of cigarettes their by smokers, the results shown that highest specific activity value were be (12. 8±6. 3 Bq/kg, 8. 41±5. 8 Bq/kg, 125. 16±58. 3 Bq/kg), respectively, in the sample (MAC) MacBeth type cigarettes in Brazilian origin, this paper reports data such as (specific activity of K<sup>40</sup>, series U<sup>238</sup>, series Th<sup>232</sup></p> ... Show More
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