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 pheny

Abstract

     In this research, the morphology and mechanical properties of (Epoxy/PVC) blend were investigated.  (EP/PVC) blend was prepared by manual mixing of epoxy resin with different weight ratios of (Poly vinyl chloride (PVC) after dissolving it in cyclohexanon). Five sheets of polymer blends in wt% included (0%, 5%, 10%, 15% and 20%) of PVC were prepared at room temperature. Tests were carried out to study some mechanical properties for these blends and compared with the properties of pure epoxy. The morphology of the prepared materials was examined to study the compatibility nature between the two polymers under work. It was found that the best ratio of addition is (20%) of PVC.

The effects of reinforcing polymers with glass and graphite particles on enhancing their flexural properties are investigated.   Five composites were fabricated using the same polymer matrix material with different volume fractions of reinforcement particles. They comprise glass particles and graphite particles each  having volume fractions of 20% and 30% as well as a hybrid composite having 10% glass and 10% graphite. Three-point bending tests using a Universal Testing Machine were carried out on specimens of the above mentioned composites, as well as specimens of the polymer matrix material to determine their flexural properties. The experimental test results indicate that the flexural stiffness of all the composites wer

The aim of the current  study is to determine the elastic properties  of carbonate rocks using ultrasonic method.  Forty rock samples of  Anah formation  were collected at  different depths from  four wells drilled at the study area . The relationship between wave velocities and elastic properties of rocks was defined. Regression analyses to define these relations were applied. The results indicate that the elastic properties of the rocks show a linear relationship with both P- and S-wave velocities. The best relationship was obtained between both Young's modulus and Shear modulus with Vs in the determination of the coefficient ( R²  ), with values of 0.91 and 0.94,  respectively.&n

Cadmium sulfide (CdS) nanocrystalline thin films have been prepared by chemical bath deposition (CBD) technique on commercial glass substrates at 70ºC temperature. Cadmium chloride (CdCl₂) as a source of cadmium (Cd), thiourea (CS(NH₂)₂) as a source of sulfur and ammonia solution (NH₄OH) were added to maintain the pH value of the solution at 10. The characterization of thin films was carried out through the structural and optical properties by X-ray diffraction (XRD) and UV-VIS spectroscopy. A UV-VIS optical spectroscopy study was carried out to determine the band gap of the nanocrystalline CdS thin film and it showed a blue shift with respect to the bulk value (from 3.9 - 2.4eV). In present w

The study of green colour in glass has a special importance on the glass quality, specially the effect of ferrous oxides content of the limestone. Results obtained that there was a reduction in green colour when different ferrous oxide contents in the limestone were added in glass production, limestone sources from two quarries, and the first contains 0.67% ferrous oxide and the second posses less ferrous oxide.

Reduction of green colour showed higher transmittance12% and it could be suggested that reduction of ferrous oxides content in the limestone is of special importance on the optical properties of glass.

    In this research we prepared PbS thin films with vacuum thermo evaporation process and  chemical spray pyrolysis.         Structure properties were studied for PbS thin films through (XRD) measurement. PbS thin films growth appear as Polycrystalline cubic and sharp peak with directional (200) then  calculated   Lattice constant (a) and the values are (5.9358)Ã… for (PbS) films prepared by thermo evaporation , (2.978-5.969 Ã…) for films prepared by chemical spray pyrolysis at temperature degree   (553K , 573K)  sequence .Then it was found that the grain size for (PbS) thin films prepared by thermo evaporation is (335.81)Ã… while the grai

In this study, tin oxide (SnO2) and mixed with cadmium oxide (CdO) with concentration ratio of (5, 10, 15, 20)% films were deposited by spray pyrolysis technique onto glass substrates at 300ºC temperature. The structure of the SnO2:CdO mixed films have polycrystalline structure with (110) and (101) preferential orientations. Atomic force microscopy (AFM) show the films are displayed granular structure. It was found that the grain size increases with increasing of mixed concentration ratio. The transmittance in visible and NIR region was estimated for SnO2:CdO mixed films. Direct optical band gap was estimated for SnO2 and SnO2 mixed CdO and show a decrease in the energy gap with increasing mixing ratio. From Hall measurement, it was fou

Cadmium oxide (CdO) thin films were deposited using the sequencing ion layer adsorption and reaction (SILAR) method. In this study, the effect of the pH value of an aqueous solution of cadmium acetate at a concentration of 0.2 mol of the cadmium oxide film was determined. The solution source for the cadmium oxide film was cadmium ions and an aqueous ammonia solution. The CdO films were deposited on glass substrates at a temperature of 90 ℃. The cadmium oxide film thickness was determined by the weight difference method at pH values ​​(7.2, 8.2). X-ray diffraction (XRD) and scanning electron microscopy (SEM) showed that the size of the crystals increased with the increase in the solution (pH). While the UV-visible spectra of the fil

   Undoped and Al-doped CdO thin films have been prepared by vacuum thermal evaporation  on  glass  substrate  at  room  temperature  for  various  Al  doping ratios (0.5, 1 and 2)wt.% . The films are characterized by XRD and AFM surface morphology properties. XRD analysis showed that CdO:Al films are highly polycrystalline and exhibit cubic crystal structure of lattice constant averaged to 0.4696 nm with (111) preferred orientation. However, intensity of all peaks rapidly decreases which indicates that the crystallinity decreases with the increase of Al dopant. The grain size decreases with Al content (from 60.81 to 48.03 nm). SEM and AFM were applied to study the morphology an