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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 Jun 30 2025
Journal Name
Zanin Journal Of Science And Engineering
Preparation and Spectral Characteristics of Various Transition Metal Complexes with Novel Azo-dye Based on Tryptamine.
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Novel azo ligand based on tryptamine, and its metal complexes with antioxidant properties were synthesized through chemical methods and characterized through various techniques, including IR, Mass, UV-Vis spectroscopy, elemental analysis, conductivity, magnetic sensitivity, and thermogravimetric analysis. According to the IR spectra of the complexes, the azo-ligand, [5-(2-(3H- 1-indol-3-yl) ethyl) diazenyl) quinolin-8-ol] coordinates with metal ions through the nitrogen atom in the quinoline ring and the oxygen atom of the hydroxyl group. Thermal analysis techniques were employed to investigate the thermal behavior of the compounds. The results revealed that the metal complexes possess higher thermal stability compared to the free ligand. T

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Publication Date
Tue May 12 2015
Journal Name
International Journal Of Humanities, Arts, Medicine And Sciences
SYNTHESIS, SPECTRAL, DYEING PERFORMANCE AND BIOLOGICAL ACTIVITY STUDIES OF AZO DYES COMPLEXES WITH SOME METAL IONS
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Some azo compounds were prepared by coupling the diazonium salts of amines with 2,4-dimethylphenol The structure of azo compounds were determined on the basis of elemental analyses, 1HNMR, FT-IR and UV-Vis spectroscopic techniques. Complexes of nickel(II) and copper(II) have been synthesized and characterized. The composition of complexes has been established by using flame atomic absorption, (C.H.N) Analysis, FT-IR and UV-Vis spectroscopic methods as well as conductivity magnetic susceptibility measurements. The nature of the complexes formed were studied following the mole ratio and continuous variation methods, Beer's law obeyed over a concentration range (1×10-4 - 3×10-4 M). High molar absorbtivity of the complex solutions were observ

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
study Of Optical Properties Of Copper-Doped Cds Thin Films
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Thin films of CdS:Cu were deposited onto glass substrate temperature 400 °c. The optieal properties have been studied for Cds doped with (1,3, 8) wt% of Cu before and after Gamma irradiation. It was found that the irradiation caused an ( Frenkel defects) where the atom is displaced from its original site leaving vacancy and forming on interstitial atom. It was found the irradiation caused an absorption edge shifting towards long wavelength as a result of the increasing of Cu concentration.

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Publication Date
Tue Mar 23 2021
Journal Name
International Journal Of Energy Research
Localized heating element distribution in composite metal foam‐phase change material: Fourier's law and creeping flow effects
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Publication Date
Thu Oct 24 2024
Journal Name
Scientific Reports
Effectiveness of high-frequency vibration, cotton rolls and elastomeric wafers in alleviating debonding pain of orthodontic metal brackets: a randomized clinical trial
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Publication Date
Tue Nov 17 2020
Journal Name
Journal Of Physics: Conference Series
A trial treatment of Hydatidosis in white mice by Immunization and Chemicals
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The present study was conducted as atrial to treat secondary hydatidosis in white mice of species Mus musculus. (Balb/c strain), experimentally infected with secondary hydatid cysts of sheep origin. The immunization process was carried by using CF/PS antigen which consist hydatid cyst fluid (CF) antigen, and protoscolices (PS) antigen mixed together and by using two concentrations 7.5, 15 mg/ml. Then derivatives of Benzimidazole, Mebendazole (M) and drugs Albendazole (A) were used 10 and 40 μm/gm body weight respectively. The mixture of drugs was used one week after challenged dose. Criteria taken into consideration to define the activity of the immunization and chemotherapy in this study were reduction in the numeral of cysts, the coeffic

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Publication Date
Mon Feb 18 2019
Journal Name
Iraqi Journal Of Physics
Preparation and characterization of colloidal CdTe nanoparticles by laser ablation in liquids
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Nanoparticles generation by laser ablation of a solid target in a liquid environment is an easy method. Cadmium Telluride (CdTe) colloidal nanoparticles have been synthesized by laser ablation Nd:YAG with wavelengths of 1064nm and double frequency at 532 nm, number of pulses 50 pulses, with pulse energy= 620mJ, 700mJ of a solid target CdTe is immersed in double distilled deionized water (DDIW) and in methanol liquid. Influences of the laser energy and different solutions on the formation and optical characterization of the CdTe nanoparticles have been studied using atomic force microscope (AFM) and the UV-Vis absorption. As a results, it leads to the absorbance in UV-Vis spectra of samples prepared in water at laser wavelength of 532nm i

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Publication Date
Sat Dec 01 2018
Journal Name
Journal Of South Asian Federation Of Obstetrics And Gynaecology
Effect of Leptin Level in Pregnancy Complicated by Preeclampsia and Pregnancy Outcome
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Publication Date
Tue Mar 30 2021
Journal Name
College Of Islamic Sciences
The wisdom of establishing the right by testimony in jurisprudence and law
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Abstract

Islam has been concerned with preserving and maintaining rights, so the provisions in which it is preserved are legislated. Among that  is the testimony that made it a way to prove the truth and obliges its bearer to fulfill right in order to preserve the right and establish justice and prevent injustices by defying conflict, and tyranny .

And while acknowledging that divine absolute wisdom that is the cause and origin of legal rulings is sufficient, it is obligatory to abide by its provisions and imposes obedience, surrender, contentment and work in accordance with its controls.

However, the realization of the defects behind the legislation in a comprehensive way that realizes the dev

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Publication Date
Thu Mar 15 2018
Journal Name
Journal Of The College Of Education For Women
Metadiscourse Markers in Linguistic Abstracts by American and Iraqi Students of English
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Metadiscourse markers are means for organizing a writer’s information and create a connection with her/his readers. When students write, they usually focus on one type of these markers that is the interactive markers and belittling the use of the other type which is the interactional markers. That is to say, they emphasize on presenting and organizing their information only. Therefore, this study is conducted to bridge this gap. The researchers have selected 18 thesis abstracts. Nine of them are written by Iraqi students of English and the rest by American students. The aims of the study are to examine the types and sub-types of metadiscourse markers used by American and Iraqi students; investigate comparatively the impact of the metad

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