Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have stronger directional bonds that in their bulk structure. The surface states are found to be mostly non-degenerated because of the effect of surface discontinuity and the existence of oxygen atoms. Valence and conduction bands are found to be wider on the surface due to the splitting of energy levels due to the existence of oxygen atoms. The present method can be used to investigate the electronic structure of bulk, surface and nanocrystals.
The electronic characteristics, including the density of state and bond length, in addition to the spectroscopic properties such as IR spectrum and Raman scattering, as a function of the frequency of Sn10O16, C24O6, and hybrid junction (Sn10O16/C24O6) were studied. The methodology uses DFT for all electron levels with the hybrid function B3-LYP (Becke level, 3-parameters, Lee–Yang-Parr), with 6-311G (p,d) basis set, and Stuttgart/Dresden (SDD) basis set, using Gaussian 09 theoretical calculations. The geometrical structures were calculated by Gaussian view 05 as a supplementary program. The band gap was calculated and compared to the measured valu
... Show MoreTo accommodate utilities in buildings, different sizes of openings are provided in the web of reinforced concrete deep beams, which cause reductions in the beam strength and stiffness. This paper aims to investigate experimentally and numerically the effectiveness of using carbon fiber reinforced polymer (CFRP) strips, as a strengthening technique, to externally strengthen reinforced concrete continuous deep beams (RCCDBs) with large openings. The experimental work included testing three RCCDBs under five-point bending. A reference specimen was prepared without openings to explore the reductions in strength and stiffness after providing large openings. Openings were created symmetrically at the center of spans of the other specimens
... Show MoreAn analytical approach based on field data was used to determine the strength capacity of large diameter bored type piles. Also the deformations and settlements were evaluated for both vertical and lateral loadings. The analytical predictions are compared to field data obtained from a proto-type test pile used at Tharthar –Tigris canal Bridge. They were found to be with acceptable agreement of 12% deviation.
Following ASTM standards D1143M-07e1,2010, a test schedule of five loading cycles were proposed for vertical loads and series of cyclic loads to simulate horizontal loading .The load test results and analytical data of 1.95
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The concept of joint integration of important concepts in macroeconomic application, the idea of cointegration is due to the Granger (1981), and he explained it in detail in Granger and Engle in Econometrica (1987). The introduction of the joint analysis of integration in econometrics in the mid-eighties of the last century, is one of the most important developments in the experimental method for modeling, and the advantage is simply the account and use it only needs to familiarize them selves with ordinary least squares.
Cointegration seen relations equilibrium time series in the long run, even if it contained all the sequences on t
... Show MoreThis study reports testing results of the transient response of T-shape concrete deep beams with large openings due to impact loading. Seven concrete deep beams with openings including two ordinary reinforced, four partially prestressed, and one solid ordinary reinforced as a reference beam were fabricated and tested. The effects of prestressing strand position and the intensity of the impact force were investigated. Two values for the opening’s depth relative to the beam cross-section dimensions were inspected under the effect of an impacting mass repeatedly dropped from different heights. The study revealed that the beam’s transient deflection was increased by about 50% with gre
Zinc-air fuel cells (ZAFCs) are a promising energy source that could compete with lithium-ion batteries and perhaps proton-exchange membrane fuel cells (PEMFCs) for next-generation electrified transportation and energy storage applications. In the present work, a flow-type ZAFC with mechanical rechargeable was adopted, combined with an auxiliary cell (electrolyzer) for zinc renewal and electrolyte recharge to the main cell. In this work a practical study was performed to calculate the cell capacity (Ah), as well as study the electrolysis cell efficiency by current efficiency, and study the effective parameters that have an influence on cell performance such as space velocity and current density. The best parameters were selected to
... Show MoreThe PET scans provide images that pinpoint the anatomic location of abnormal metabolic activity within the body. A radionuclide suitable for labeling a wide range of radiopharmaceuticals for positron emission tomography imaging is used also for local therapy of tumors. Among the possible methods for cyclotron production of radionuclide used in PET. We investigate the proton irradiation to produce the standard radionuclide (15O, 11C,1 3N, 18F) and some non-standard Radionuclide (76Br,124I,60Cu,66Ga,86Y and 89Zr). The total integral yield based on the main published and approved experimental results of excitation functions were calculated.
The productivity of oil wells may be improved by determining the value of enhancing well productivity and the likely reasons or sources of formation damage after the well has been recognized as underperforming. Oil well productivity may be improved, but the economics of this gradual improvement may be compromised. It is important to analyze the influence of the skin effect on the recovery of the reserve. The acid treatment evaluated for the well AD-12, primarily for the zone Mi4; using a license of Stimpro Stimulation Software to validate the experimental work to the field scale, this software is considered the most comprehensive instrument for planning and monitoring matrix acid treatments and utilizing actual data to provide a far
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