The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations were carried out employing the used method at the Gaussian 09 package of programs. It was reported the main point for research on dominance of the bandgap of elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in the most molecules that used in this work. The side groups creates another factor that controls the value of the band gap. The dihedral angle between the two phenyl rings plays more important role in controlling the band gap in these molecules.
This paper aims to evaluate the hydraulic characteristics of the aquifer between Al-khassa dam and Kirkuk structure, Kirkuk/ NE Iraq. Pumping tests applied for selected wells in the area to evaluate the hydraulic characteristics of the aquifer, special distribution of the water table and groundwater movement direction of the groundwater, the hydraulic properties results of five single pumping test in the study area showed that the transmissivity (T) is ranged between (2.01 to 7. 5 m2/day ), storage coefficient (Sc) ranged (6.4 * 10-3 to 7.3 * 10-2) and the hydraulic conductivity (K) is ranged between (0.025 to 0.35 m/day) that calculated by Winlog software, groundwater discharge of the area is equal to
... Show MoreThe major target of this paper is to study a confirmed class of meromorphic univalent functions . We procure several results, such as those related to coefficient estimates, distortion and growth theorem, radii of starlikeness, and convexity for this class, n additionto hadamard product, convex combination, closure theorem, integral operators, and neighborhoods.
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
... Show MoreMany faces are exposed to degradation, discoloration, changes in humidity. The primary objective has improved some properties of hybrid nanocomposites materials that used for restoring of the function maxillofacial prosthesis and improving the esthetic. In the present research different lengths chopped and continuous of ultrahigh molecular weight polyethylene (UHMWPE) fiber was added at selected percentage (0.0, 0.2% and 1%) to polymer blend composite (95%SR /5%PMMA: 0.2% Pomegranate Peels Powder (PPP)) for developing the properties of silicone rubber used for the maxillofacial prosthesis applications. Some mechanical and physical properties were done on the all prepared samples. The results showed that all properties have improved when add
... Show MoreHydrocarbon production might cause changes in dynamic reservoir properties. Thus the consideration of the mechanical stability of a formation under different conditions of drilling or production is a very important issue, and basic mechanical properties of the formation should be determined. There is considerable evidence, gathered from laboratory measurements in the field of Rock Mechanics, showing a good correlation between intrinsic rock strength and the dynamic elastic constant determined from sonic-velocity and density measurements. The values of the mechanical properties determined from log data, such as the dynamic elastic constants derived from the measurement of the elastic wave velocities in the material, should be more accurate t
... Show MoreThe use of blended cement in concrete provides economic, energy savings, and ecological benefits, and also provides. Improvement in the properties of materials incorporating blended cements. The major aim of this investigation is to develop blended cement technology using grinded local rocks . The research includes information on constituent materials, manufacturing processes and performance characteristics of blended cements made with replacement (10 and 20) % of grinded local rocks (limestone, quartzite and porcelinite) from cement. The main conclusion of this study was that all types of manufactured blended cement conformed to the specification according to ASTM C595-12 (chemical and physical requirements). The percentage of the compress
... Show MoreCdS Nps (inorganic material) was prepared by the chemical reaction method. ZnPc (organic material) and CdS thin films were prepared separately to compare their characterization with the hybrid BHJ blend ZnPc/CdS thin film (2ml:2ml) by spin coating technique. The structural and morphological properties of the prepared thin films have been measured by XRD and AFM respectively. The XRD pattern for both as-deposited and annealed CdS nanoparticle films shows a hexagonal structure. The crystallite size behavior of as deposited ZnPc films and annealing at 423K for 1h, 2h and 3h was approximately similar to the behavior of heat treated blended films. The grain size was measured by AFM, which decreaseds with annealing temperature for ZnPc films,
... Show MoreThe ground state properties including the density distributions of the neutrons, protons and matter as well as the corresponding root mean square (rms) radii of proton-rich halo candidates 8B, 12N, 23Al and 27P have been studied by the single particle Bear– Hodgson (BH) wave functions with the two-body model of (core+p). It is found that the rms radii of these proton-rich nuclei are reproduced well by this model and the radial wave functions describe the long tail of the proton and matter density distributions. These results indicate that this model achieves a suitable description of the possible halo structure. The plane wave Born approximation (PWBA) has been used to compute the elastic charge form factors.