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

Cadmium sulfide (CdS) thin films with n-type semiconductor characteristics were prepared by flash evaporating method on glass substrates. Some films were annealed at 250 ^oC for 1hr in air. The thicknesses of the films was estimated to be 0.5µ by the spectrometer measurement. Structural, morphological, electrical, optical and photoconductivity properties of CdS films have been investigated by X-ray diffraction, AFM, the Hall effect, optical transmittance spectra and photoconductivity analysis, respectively. X-ray diffraction (XRD) pattern shows that CdS films are in the stable hexagonal crystalline structure. Using Debye Scherrerś formula, the average grain size for the samples was found to be 26 nm. The transmittance of the

The effect of temperature range from 298 K to 348 K and volume filler content ф on electrical properties of polyethylene PE filled with nickel Ni powders has been investigated. The volume electrical resistivity V  of such composites decreases suddenly by several orders of magnitude at a critical volume concentration (i.e. фc=14.27 Vol.%) ,whereas the dielectric constant   and the A.C electrical conductivity AC  of such composites increase suddenly at a critical volume concentration (i.e. фc=14.27 Vol.%).For volume filler content lower than percolation threshold ф<фc the resistivity decreases with increasing temperature, whereas the dielectric constant and the A.C electrical conductivity of

     Pure and iron-doped cadmium oxide ((CdO)_1-xFe_x) thin films at different ratios were prepared using  pulsed laser deposition technique. The X-ray diffraction showed a polycrystalline structure for all samples associated with cubic CdO structure. Another phase appeared at the highest ratio corresponding to the cubic Fe phase. Crystallinity was enhanced and crystalline size increased with increasing Fe ratio. AFM measurements showed that increase of  Fe ratio led to an increase in the average particle diameter. In addition, the distribution of particle size became wide and of irregular behaviour, as well as increasing of the average roughness and the root-mean-square roughness. Increasing the Fe ratio caused

A friction stir spot welding (FSSW) process is an emerging solid state joining process in which the material that is being welded does not melt. In this investigation an attempt has been made to understand the effect of tool shoulder diameter on the mechanical properties of the joint. For this purpose four welding tools diameter (10,13, 16 and 19) mm at constant preheating time and plunging time were used to carry
out welding process. Effect of tool diameter on mechanical properties of welded joints was investigated using shear stress test and Microhardness of joint which welded was studied. Based on the stir welding experiments conducted in this study the results show that aluminum alloy (1200) can be welded using (FSSW) process with

The nanocompsite of alumina (Al₂O₃) produced a number of beneficial effects in alloys. There is increasing in resistance of materials to surface related failures , such as the mechanical properties , fatigue and stress corrosion cracking .The experimental results observed that the adding of reinforced  nanomaterials  type Al₂O₃  enhanced the   HB hardness, UTS, 0.2 YS and ductility of 2014 Al/Al₂O₃ nano composites . the analysis of experiments, indicated that The maximum enhancement was observed at 0.4 wt.% Al₂O₃. The ultimate improvement percentage were 15.78% HB hardness, 18.1% (UTS), 12.86% (

In the present work, the ternary compound MgxZn7-x O7Wurtzoid with variable Zn and Mg contents was analyzed using density functional theory with B3LYP 6-311G**basis set. The electronic and vibrational properties of MgxZn7-xO7 wurtzoids, were investigated, including energy gaps, bond lengths, spectral properties, such like infrared spectra and Raman. IR and Raman spectra were compared with experimental longitudinal optical modes frequency results. The theoretical results agree well with experiments and previous data. It has been found that the energy gap is increasing with the increased Mg concentration, and that the longitudinal optical position exposes a UV shift movement with an increase in the concentration.

   A reseach is carried out by using Alumina material type α-Al2O3 which has partical size 63μm doped with different percentage weight of MgO (0.1%,0.3%and0.5%) and by using dry press method to prepare the samples ,A force press 50KN used and sintering to 1500oC with   soaking time  of  6 hours.        The physical properties were studied such as "Bulk density ,Porosity and water absorption "also the mechanical properties such as (hardness,compressive strength ), the result shows that the best ratio of maginsa(MgO) added to Alumina (Al2O3)is 0.5%and this  worked to improve   Physical and mechanical properties .