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.
Aromaticity, antiaromaticity and chemical bonding in the ground (S0), first singlet excited (S1) and lowest triplet (T1) electronic states of disulfur dinitride, S2N2, were investigated by analysing the isotropic magnetic shielding, σiso(r), in the space surrounding the molecule for each electronic state. The σiso(r) values were calculated by state-optimized CASSCF/cc-pVTZ wave functions with 22 electrons in 16 orbitals constructed from gauge-including atomic orbitals (GIAOs). The S1 and T1 electronic states were confirmed as 11Au and 13B3u, respectively, through linear response CC3/aug-cc-pVTZ calculations of the vertical excitation energies for eight singlet (S1–S8) and eight triplet (T1–T8) electronic states. The aromaticities of S
... Show MoreThe importance of specifying proper aggregate grading for achieving satisfactory performance in pavement applications has long been recognized. To improve the specifications for superior performance, there is a need to understand how differences in aggregate gradations within the acceptable limits may affect unbound aggregate base behavior. The effects of gradation on strength, modulus, and deformation characteristics of high-quality crushed rock base materials are described here. Two crushed rock types commonly used in constructing heavy-duty granular base layers in the State of Victoria, Australia, with three different gradations each were used in this study. The gradations used represent the lower, medium, and upper gradation li
... Show MoreThe research demonstrates new species of the games by applying separation axioms via sets, where the relationships between the various species that were specified and the strategy of winning and losing to any one of the players, and their relationship with the concepts of separation axioms via sets have been studied.
This paper presents the matrix completion problem for image denoising. Three problems based on matrix norm are performing: Spectral norm minimization problem (SNP), Nuclear norm minimization problem (NNP), and Weighted nuclear norm minimization problem (WNNP). In general, images representing by a matrix this matrix contains the information of the image, some information is irrelevant or unfavorable, so to overcome this unwanted information in the image matrix, information completion is used to comperes the matrix and remove this unwanted information. The unwanted information is handled by defining {0,1}-operator under some threshold. Applying this operator on a given ma
... Show MoreHydrogen fuel is a good alternative to fossil fuels. It can be produced using a clean energy without contaminated emissions. This work is concerned with experimental study on hydrogen production via solar energy. Photovoltaic module is used to convert solar radiation to electrical energy. The electrical energy is used for electrolysis of water into hydrogen and oxygen by using alkaline water electrolyzer with stainless steel electrodes. A MATLAB computer program is developed to solve a four-parameter-model and predict the characteristics of PV module under Baghdad climate conditions. The hydrogen production system is tested at different NaOH mass concentration of (50,100, 200, 300) gram. The maximum hydrogen produc
... Show MoreCO2 geo-storage efficiency is strongly influenced by the wettability of the CO2-brine-mineral system. With decreasing water-wetness, both, structural and residual trapping capacities are substantially reduced. This constitutes a serious limitation for CO2 storage particularly in oil-wet formations (which are CO2-wet). To overcome this, we treated CO2-wet calcite surfaces with nanofluids (nanoparticles dispersed in base fluid) and found that the systems turned strongly water-wet state, indicating a significant wettability alteration and thus a drastic improvement in storage potential. We thus conclude that CO2 storage capacity can be significantly enhanced by nanofluid priming.
A water crisis is a circumstance in which a region accessible potable, unpolluted water is less than the requirement of that country. Two converging trends cause water scarcity, that are expanded use of irrigation, and loss of available freshwater supplies. Water scarcity can arise from two mechanisms, the physical water scarcity because of deficient natural water supply to fulfil the country demand, and economic water scarcity due to bad management for sufficient available water resources. This research examines data set as multispectral Landsat 8 satellite images that are detected for Basrah city, located in southern Iraq, and positioned between Kuwait and Iran on the Shatt al-Arab. Such raw data are satellite images. Using ENVI 5.3 softw
... Show MoreThe aim of our work is to develop a new type of games which are related to (D, WD, LD) compactness of topological groups. We used an infinite game that corresponds to our work. Also, we used an alternating game in which the response of the second player depends on the choice of the first one. Many results of winning and losing strategies have been studied, consistent with the nature of the topological groups. As well as, we presented some topological groups, which fail to have winning strategies and we give some illustrated examples. Finally, the effect of functions on the aforementioned compactness strategies was studied.