This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study. The results portray satisfactory geometrical parameters for bulk CoCu2O3, and a band gap of 1.25 e V. Furthermore, we clarified the stoichiometrically balanced inverted (010)CoCuO, and the non-stoichiometric (001)CuOCu, (001)CoOCo, (110)OCoO and (110)CoOCu surface terminations as the most stable configurations, out of which, the (001)CuOCu shows the optimum stability in ambient conditions. The systematic approach applied in this study should prove instrumental for the analysis of other 3-element multicomponent systems. To the best of our knowledge, the present study is the first to report DFT + U analysis to any 3-multicompnent systems with two of them requires inclusion of U treatment (i.e., f- and d- orbitals) in the electronic structure calculations.
This book in our hands is a 'book in the science of rhymes' written by the linguistic and grammatical world 'Othman bin Jenni' 'T 392 AH', and included in it: the concept of rhyme, its characters, movements, and disadvantages, with mention of its ramifications, defining them by definition, clarification and martyrdom poetry, It is concise in size, but it is a book containing a full science in its content.
The study was divided into two parts, the first: the study, and included a study of the author and the author, I talked first about his life, such as his name and origin, and scientific status, and the words of scientists in it, and so on, and secondly: the name of the book, and his percentage, and the time of its composition, etc. I
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... Show MoreWasit Governorate is characterized by industrials activities such as groups of asphalts and bricks factories, oil fields and thermal power plant, in addition to the agricultural activity that is widely separated, which leads to pollution of the surface soils with heavy metals. The main objective in this research is to assess heavy metals pollution and understand the distribution in the surface soils in the studied area. Twenty two surface soils samples were collected from 6 districts and 4 subdistricts within Wasit Governorate during April 2017. The results obtained showed that grain size analyzes are classified as sandy mud (sand 9.5%, silt 50.8 % and clays 39.8%). In the term of geochemic
... Show MoreThe current study aimed to assessing the water quality and discussing the hydrochemical characteristics and seasonal variation of surface water on the aspect of metals in Shatt-Al-Hilla, Babil Governorate, Central Iraq. Water samples were collected from eleven sampling sites of Shatt Al-Hila for wet season in March (18/3/2018), and a dry season in July (30/7/2018).
Surface water samples were analyzed for physiochemical parameters such as water temperature pH, EC, TDS, major ions (Ca2+, Mg2+, Na+, K+, SO42-, Cl-, and HCO3-), nutrients (NO3-, and PO43-) for both seasons and DO for one season
... Show MoreFresh water resources in terms of water quality is a crucial issue worldwide. In Egypt, the Nile River is the main source of fresh water in the country and monitoring its water quality is a major task on governments and research levels. In the present case study, the physical, chemical and algal distribution in Nile River was monitored over two seasons (winter and summer) in 2019. The aims of the study were to check the seasonal variation among the different water parameters and also to check the correlations between those parameters. Water samples were collected from the Nile in Cairo governorate in EGYPT. The different physiochemical and microbiological properties in water samples were assessed. The studied parameters were included: te
... Show MoreThe hydrodynamics behavior of gas - solid fluidized beds is complex and it should be analyzed and understood due to its importance in the design and operating of the units. The effect of column inside diameter and static bed height on the minimum fluidization velocity, minimum bubbling velocity, fluidization index, minimum slugging velocity and slug index have been studied experimentally and theoretically for three cylindrical columns of 0.0762, 0.15 and 0.18 m inside diameters and 0.05, 0.07 and 0.09 m static bed heights .The experimental results showed that the minimum fluidization and bubbling velocities had a direct relation with column diameter and static bed height .The minimum slugging velocity had an
... Show MoreThis paper deals with constructing mixed probability distribution from exponential with scale parameter (β) and also Gamma distribution with (2,β), and the mixed proportions are ( .first of all, the probability density function (p.d.f) and also cumulative distribution function (c.d.f) and also the reliability function are obtained. The parameters of mixed distribution, ( ,β) are estimated by three different methods, which are maximum likelihood, and Moments method,as well proposed method (Differential Least Square Method)(DLSM).The comparison is done using simulation procedure, and all the results are explained in tables.
Joseph Curtis wrote in his book (Introduction to Semiotics narrative and rhetoric) on the development of a semiotic project in exploring the meaning of communion. The book is rich in theoretical and analytical benefits both in the approach of texts and in the pursuit of letters in search of mechanisms of scriptural and scriptural generation and mechanics in narrative production, especially as the book offers exercises that help to assess the distance separating the narrative spread from the sin of the text, for the semiotics, Refers to the theoretical developments of the science of relations, through the combination of conventional definitions and the representative and comparative limitations, to provide an approach to the application o
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