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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
Mon Jan 01 2018
Journal Name
Aip Conference Proceedings
Theoretical study of electronic transfer current rate at dye-sensitized solar cells
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Publication Date
Tue May 17 2022
Journal Name
Egyptian Journal Of Chemistry
Determination of Ferrous Ion in Pure & Pharmaceutical Preparation by Continuous Flow Injection Analysis Via Turbidmetric Utilizing NAG-4SX3-3D Analyzer
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Publication Date
Fri Jun 02 2023
Journal Name
Alustath Journal For Human And Social Sciences
Review Study in Discourse Analysis and Appraisal Theory in Selected Prison Letters by Antonio Gramsci and other Scholars.
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Publication Date
Thu Sep 01 2022
Journal Name
Iraqi Journal Of Physics
Structural and Morphological Characterization of MEH-PPV Nanocomposite Doped with FeCl3
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Poly [2-methoxy-5-(2-ethylhexyloxy)-1, 4-phenylenevinyl] (MEH-PPV) thin films were created in this study using both spin coating and drop casting processes. MEH-PPV thin films generated by Ferric Chloride (FeCl3) doping (0.03, 0.06, 0.09, and 0.12 wt%) were studied for some physical features using Fourier-Transform Infrared Spectroscopy (FTIR), Field Emission Scanning Electron Microscopy (FE-SEM), and Energy Dispersive X-ray Spectroscopy (EDX). An FTIR test showed that there was no chemical reaction that occurred between Ferric Chloride (FeCl3) and MEH-PPV, but rather a physical one, that is, an organic material composite occurred. As for FE-SEM, the pure sample MEH-PPV formed uniformly, but when FeCl3 was added by weight, we have differ

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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Physics (ijp)
Structural and Infrared Spectroscopy of Polyvinylpyrrolidone/Multi-walled Carbon Nanotubes Nanocomposite
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In this work, polyvinylpyrrolidone (PVP)/ Multi-walled carbon nanotubes (MWCNTs) nanocomposites were prepared with two concentrations of MWCNTs by casting method. Morphological, structural characteristics and electrical properties were investigated. The state of MWCNTs dispersion in a PVP matrix was indicated by Field Effect-Scanning Electron Microscopy (FESEM) which showed a uniform dispersion of MWCNTs within the PVP matrix. X-ray Diffraction (XRD) indicate strong bonding of carbonyl groups of PVP composite chains with MWCNTs. Fourier transfer infrared (FTIR) studies shows characteristics of various stretching and bending vibration bands, as well as shifts in some band locations and intensity changes in others. Hall effect was stu

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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Physics
Structural and Infrared Spectroscopy of Polyvinylpyrrolidone/Multi-walled Carbon Nanotubes Nanocomposite
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In this work, polyvinylpyrrolidone (PVP)/ Multi-walled carbon nanotubes (MWCNTs) nanocomposites were prepared with two concentrations of MWCNTs by casting method. Morphological, structural characteristics and electrical properties were investigated. The state of MWCNTs dispersion in a PVP matrix was indicated by Field Effect-Scanning Electron Microscopy (FESEM) which showed a uniform dispersion of MWCNTs within the PVP matrix. X-ray Diffraction (XRD) indicate strong bonding of carbonyl groups of PVP composite chains with MWCNTs. Fourier transfer infrared (FTIR) studies shows characteristics of various stretching and bending vibration bands, as well as shifts in some band locations and intensity changes in others. Hall effect was studied

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Publication Date
Fri Jan 29 2021
Journal Name
International Journal Of Applied Mechanics And Engineering
Unified Methodology for Strength and Stress Analysis of Structural Concrete Members
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Abstract<p>In this paper, a methodology is presented for determining the stress and strain in structural concrete sections, also, for estimating the ultimate combination of axial forces and bending moments that produce failure. The structural concrete member may have a cross-section with an arbitrary configuration, the concrete region may consist of a set of subregions having different characteristics (i.e., different grades of concretes, or initially identical, but working with different stress-strain diagrams due to the effect of indirect reinforcement or the effect of confinement, etc.). This methodology is considering the tensile strain softening and tension stiffening of concrete in additio</p> ... Show More
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Publication Date
Sun Jun 01 2025
Journal Name
Results In Engineering
Structural Performance of Rail Connections: Experimental Testing and Finite Element Modeling
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Publication Date
Wed Jun 24 2020
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
A STUDY OF PHYSICAL AND ANATOMICAL CHARACTERISTICS OF THE HEAVY METAL ACCUMULATION OF JUNCUS RIGIDUS DESFONTAINES, 1798 (FAMILY, JUNCACEAE) IN BASRAH PROVINCE, SOUTHEREN OF IRAQ
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This study was carried out to determine the heavy metal accumulation of Juncus rigidus Desfontaines, 1798 from three different regions of the Basrah Province in Southern of Iraq. Specifically, the concentrations of lead, nickel, and cadmium were determined in the roots, culms and leaves of the plant. The results indicated that the highest accumulation of the heavy metal was recorded in lead (Pb) 12.50± 3.58 mg kg-1and then in nickel (< 0.30). The lowest value was recorded for cadmium (< 0.05). As well, lead concentrations in J. rigidus varied in different locations and parts of the plant from undetectable in control to 12.66, 19.33, and 9.80 mg kg-1 in leaves, culm, and roots respective

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Publication Date
Sun Sep 11 2022
Journal Name
Journal Of Petroleum Research And Studies
The Structural and Stress Analysis of Hemrin North Structure, North of Iraq.
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  The study focused on the results of first paleostress from thrust fault slip data on Tertiary age of Hemrin North Structure, North of Iraq. The stress inversion was performed for fault slip data using an improved right dihedral model, and then followed by rotational optimization (Georient Software). The trend of the principal stress axes (σ1, σ2 and σ3) and the ratio of the principal stress differences (R) show the main paleostress field is NE-SW compression regime. As well as using Lisle graph and Mohr diagram to determine the magnitudes of palestress.  The values paleostress of the study area were σ1=1430 bars, σ2=632 bars and σ3=166 bar. The large magnitudes of the primary stress axes could be attributed to active tecto

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