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.
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Permanent deformation (rutting) of asphalt mixtures is one of the major forms of distress. Aggregate gradation is one of the most important factors affecting the permanent deformation of asphalt mixtures. Other variables are also important to understand their effects on the mixture such as temperature, binder content and compaction level. For this purpose 6 different aggregate gradations have been chosen and each one of them has been manufactured / tested with different variables. The results showed that at relatively low temperature there is little effect of aggregate packing on the permanent deformation. However, as the temperature increases the effect of gradation becomes apparent, in that the better the packing the better the resistance
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The accurate 3-D coordinate's measurements of the global positioning systems are essential in many fields and applications. The GPS has numerous applications such as: Frequency Counters, Geographic Information Systems, Intelligent Vehicle Highway Systems, Car Navigation Systems, Emergency Systems, Aviations, Astronomical Pointing Control, and Atmospheric Sounding using GPS signals, tracking of wild animals, GPS Aid for the Blind, Recorded Position Information, Airborne Gravimetry and other uses. In this paper, the RTK DGPS mode has been used to create precise 3-D coordinates values for four rover stations in Baghdad university camp. The HiPer-II Receiver of global positioning system was used to navigate the coordinate value. The results wil
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The accurate 3-D coordinate's measurements of the global positioning systems are essential in many fields and applications. The GPS has numerous applications such as: Frequency Counters, Geographic Information Systems, Intelligent Vehicle Highway Systems, Car Navigation Systems, Emergency Systems, Aviations, Astronomical Pointing Control, and Atmospheric Sounding using GPS signals, tracking of wild animals, GPS Aid for the Blind, Recorded Position Information, Airborne Gravimetry and other uses. In this paper, the RTK DGPS mode has been used to create precise 3-D coordinates values for four rover stations in Baghdad university camp. The HiPer-II Receiver of global positioning system was used to navigate the
... Show MoreThis contribution investigates the effect of the addition of the Hubbard U parameter on the electronic structural and mechanical properties of cubic (C-type) lanthanide sesquioxides (Ln2O3). Calculated Bader's charges confirm the ionic character of Lnsingle bondO bonds in the C-type Ln2O3. Estimated structural parameters (i.e., lattice constants) coincide with analogous experimental values. The calculated band gaps energies at the Ueff of 5 eV for these compounds exhibit a non-metallic character and Ueff of 6.5 eV reproduces the analogous experimental band gap of cerium sesquioxide Ce2O3. We have thoroughly investigated the effect of the O/Ce ratios and the effect of hafnium (Hf) and zirconium (Zr) dopants on the reduction energies of C
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Configured binary polymer blends of epoxy and Polyurethane was chosen varying proportions of these materials led to the production of homogeneous mixtures of Althermust Althermust and descent was poured polyurethane models required in the form of 4 mm thick plates
The physical and elastic characteristics of rocks determine rock strengths in general. Rock strength is frequently assessed using porosity well logs such as neutron and sonic logs. The essential criteria for estimating rock mechanic parameters in petroleum engineering research are uniaxial compressive strength and elastic modulus. Indirect estimation using well-log data is necessary to measure these variables. This study attempts to create a single regression model that can accurately forecast rock mechanic characteristics for the Harth Carbonate Formation in the Fauqi oil field. According to the findings of this study, petrophysical parameters are reliable indexes for determining rock mechanical properties having good performance p
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The central marshes are one of the most important wetlands/ecosystems in the southern area of Iraq. This study evaluates the bed soil's mechanical, physical, and chemical properties at certain southern Iraqi central marshes sites. This was conducted to investigate their types and suitability for enhancing the agricultural reality of most field crops and for construction purposes. Soil samples were collected from 15 sites at 10-100 cm depth. Hence, numerous parameters were determined: index properties, unconfined compressive strength, direct shear strength, consolidation, texture, and sieve analysis, water content, specific gravity, dry density, permeability, pH, total soluble salts (TSS), organic materials (OM) and total
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