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

No-fine concrete (NFC) is cellular concrete and it’s light weight concrete produced with the exclusion of sand from the concrete. This study includes the mechanical properties of lightweight reinforced by steel fiber, containing different proportions of steel fiber. This study was done using number of tests. These tests were density, compressive strength, flexural strength and absorption. These tests of the molds at different curing time. The results of tests that implication of fiber to No. fine concrete did not affect significantly on the compressive strength, While the flexural strength were gets better. Results explained that, the flexural strength of (1%) fiber No- fine concrete molds are four times that of the reference mold

Background: Deterioration of maxillofacial silicone properties due to microbial colonization is a common problem and leads to the replacement of the prosthesis. Incorporation of the antimicrobial agent into the silicone could be a solution. The purpose of this study was to evaluate the effect of silver-zinc zeolite addition on some mechanical properties of a maxillofacial silicone (VST-50). Materials and methods: Total 120 specimens were fabricated and divided into 3 groups: 40 specimens for tear strength test, 40 specimens for tensile and percentage of elongation tests and 40 specimens for Shore A hardness and surface roughness. Each group was divided into 4 subgroups according to the amount of zeolite added (0% “control”, 0.5%, 1% and

The dielectric constant of most polymers is very low; the addition of TiO2 particles into the polymers provides an attractive and promising way to reach a high dielectric constant. Polymer-based materials with a high dielectric constant show great potential for energy storage applications. Four samples were prepared, one of them was polyurethane (PU) and the other were PU with different weight percent (wt %) of TiO2 (0.1, 0.2, 0.3) powder AFM test was used to distinguish the nanoparticles. The result shows that the most shape of these nanoparticles are spherical and the roughness average is 0.798 nm. The dielectric properties were measured for all samples before and after the exposure to the UV radiation. The result illustrates that the

Linear and nonlinear optical properties of epoxy/ Al2O3 nanocomposites system were studied for epoxy neat and (0.5, 1.5, 3, and 5) % Al2O3 nanocomposites.The band gap of epoxy and its nanocomposites was obtained at these weight ratios. Nonlinear optical properties experiments were performed using Q-switched Nd:YAG laser z-scan system.These experiments were carried out for different parameters: wavelengths (1064 nm and 532 nm), laser intensities (0.530, 0.679, and 0.772) GW/cm2 and weight ratio of Al2O3 nanocomposites. The results showed that the band gaps were decreased with increasing the weight ratio of nanoalumina except at 5wt% and the nonlinear refractive index coefficient is directly proportional to the incident intensities while o

the structrual and mechanical properties of thin Ni films of different thicknesses deposited on coring glass substrate using lonbeam sputtering(IBS) technique under vacuum torr have been studied the TEM and electron

In this research was study the effect of increasing the number of layers of the semiconductor films as PbS on the average grain sizes and illustrate the relationship between the increase in the average grain size and thickness of the membrane, and membrane was prepared using the easy and simple and does not need the complexity of which is that the chemical bath , and from an X-ray diffraction found that the material and the installation of a random cubic and when increasing the number of layers deposited note the emergence of a number of vertices of a substance and PbS at different levels but the level is more severe (200) as well as the value is calculated optical energy gap and found to be not affected by increase thickness and from th

Gypsum Plaster is an important building materials, and because of the availabilty of its raw materials. In this research the effect of various additives on the properties of plaster was studied , like Polyvinyl Acetate, Furfural, Fumed Silica at different rate of addition and two types of fibers, Carbon Fiber and Polypropylene Fiber to the plaster at a different volumetric rate. It was found that after analysis of the results the use of Furfural as an additive to plaster by 2.5% is the optimum ratio of addition to that it improved the flexural Strength by 3.18%.
When using Polyvinyl Acetate it was found that the ratio of the additive 2% is the optimum ratio of addition to the plaster, because it improved the value of the flexural stre

Polyaniline polymer has been prepared by chemical oxidation
polymerization method in laboratory successfully. The PANI and
(PVA+PVP) as a polymer blends in different percentage (30%, 50%,
70%) from Polyaniline was prepared. The sample was studies as
optical properties by UV-vis spectrophotometer at (400-700) nm.
The result of optical energy gap was 2.23 eV for pure (PVA+ PVP)
and with additive was increasing with increasing PANI concentration
to become (2.49 for 30% to 2.52 for 70%) PANI. The goal of this
project is prepare triple blend polymer and study the effect when add
conductive polymer (Polyaniline) on the optical properties and
calculate optical constant as energy gap, refractive index, dielectric