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.
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
... Show MoreThe 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
... Show MoreA.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
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
... Show MoreUntreated 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
... Show MoreBackground: 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
... Show MoreThe 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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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
... Show MoreThe 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
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 U238 and series Th232 in addition to K40 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 K40, series U238, series Th232