PM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculation using Gaussian program view. Comparison was done for the distribution of electron density with the expense of vibration frequencies and for the relationship of all the physical and electronic properties of fullerene C60 with its construction units.
In this study, experimental mortar combinations with 1% micro steel fibers, were examined to create geopolymer mortars. To test the effect of the fibers on the mortar's resistance, the geopolymer mortar was designed with various proportions of more environmentally friendly materials fly ash and slag. The percentage of fly ash by weight was 50, 60, and 70% of the slag. The best results were obtained when a 50:50 ratio of fly ash and slag were mixed with 1% micro steel fibers. The results showed that the mixtures containing fibers performed better in the considered tests (toughness index, ductility index, and resilience index). In the impact resistance test, the mixture contained 50% fly ash by weight of the slag with a temperature of
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The aim of this work is studying the binary system ??'??? Ni?)with two ratios (y=36,80) by using casting method for preparing the samples.Magnetic and Mechanical properties have been studidt different httrea^nttem^rature.All the alloys were found a ferromagnetic behavior and sensitive to the heat treatment. Best properties were found at the heat treatment 1100 C°.A significant different results were found above 1100C° for lower magnetic and mechanical values. This is possibly due to the change on the degree of magnetic moment orders, in which most of the moments are started to remove from coupled ferromagnetically.?
Autorías: Imad Kadhim Khlaif, Talib Faisal Shnawa. Localización: Revista iberoamericana de psicología del ejercicio y el deporte. Nº. 1, 2022. Artículo de Revista en Dialnet.
The construction industry plays a crucial role in the countries' economy, especially in the developed country. This point encourages the concerned institution to use new techniques and integrate many techniques and methods to maximize the benefits. The main objective of this research is to evaluate the use of risk management, value management, and building information modeling in the Iraqi construction industry. The evaluation process aims at two objectives. The direct objective was to evaluate the knowledge in risk management (RM), value management (VM), and building information modeling (BIM). The indirect objective was to support the participants with information related to the main items mentioned. The questionnaire
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Thin films of pure yttrium oxide (Y2O3) and doped with cerium oxide (CeO2) were prepared by the chemical spray pyrolysis(CSP)method. The structural, optical and electrical properties of the prepared films were investigated. The analysis of X-ray diffraction (XRD) thin films revealed that the undoped and doped Y2O3 were amorphous with a broad hump around 27o and narrow humps around 48o and 62o for all samples. Except for the Y2O3:6wt.%CeO2 thin film, all had signal preferential orientation along the (100) plane at 2θ=12.71o which belongs to CeO2, Field emission scanning electron mic
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A tungsten inert gas (TIG) welding is one of the most popular kinds of welding used to join metals mainly for aluminum alloys. However, many challenges may be met with this kind of joining process; these challenges arise from decay of mechanical properties of welded materials. In the present study, an attempt was made to enhancing the mechanical properties of TIG weld joint of 6061-T6 aluminum alloy by hardening the surfaces using shoot peening technique. To optimize the shoot peening process three times of exposure (5, 10, and 15) min. was used. All peened and unpeened, and welded and unwelded samples were characterized by metallographic test to indicate the phase transformation and modification in microstructure occurring d
... Show MoreIn the present work a dynamic analysis technique have been developed to investigate and characterize the quantity of elastic module degradation of cracked cantilever plates due to presence of a defect such as surface of internal crack under free vibration. A new generalized technique represents the first step in developing a health monitoring system, the effects of such defects on the modal frequencies has been the main key quantifying the elasticity modulii due to presence any type of un-visible defect. In this paper the finite element method has been used to determine the free vibration characteristics for cracked cantilever plate (internal flaws), this present work achieved by different position of crack. Stiffness re
... Show MoreIn this paper a thin films of selenium was prepare on substrates of n-Si by evaporation in a vacuum technique with thickness about 0.5μm. And then an annealing process was done on samples at two temperature (100 and 200) C ° in a vacuum furnace (10-3 torr).
Some structural, optical and mechanical properties of prepared thin films were measured. Results showed that the prepared film was the crystallization, optical transmittance and micro hardness of the prepared thin films increased significantly after annealing.
Tensile , thermal, and barrier properties of polylactide PLA-based
nanocomposite films that were prepared by solvent casting method with
polyethylene glycol (PEG), and alumina were studied. PLA/PEG blend showed
decrease in tensile strength and Young modulus but increased in elongation in
PLA/PEG and increased in crystalline of PLA but decrease in glass transition
temperature with the increasing of PEG concentration . A nano blend composites of
PLA/PEG/alumina (50/50/4) when compared to PLA/PEG blend indicated that
tensile strength , Young modulus and glass transition temperature (Tg) increased
with adding alumina nano particles, concentration and barrier properties
improvement due to its nucleating and reinforc
In this study, Laser Shock Peening (LSP) effect on the polymeric composite materials has been investigated experimentally. Polymeric composite materials are widely used because they are easy to fabricate and have many attractive features. Unsaturated polyester resin as a matrix was selected and Aluminum powder with micro particles as a reinforcement material was used with different volume fraction (2.5%, 5% and 7.5%). Hand lay-up process was used for preparation the composites. Fatigue test with constant amplitude with stress ratio (R =-1) was carried out before and after LSP process with two levels of energy (1Joule and 2Joule). The result showed an increase in the endurance strength of 25.448% at 7.5% volume fraction when peened is 1J
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