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DFT + U and ab initio atomistic thermodynamics approache for mixed transitional metallic oxides: A case study of CoCu 2 O 3 surface terminations
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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.

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Publication Date
Thu Jun 01 2023
Journal Name
Journal Of Engineering
A Control Program for Hydropower Operation Based on Minimizing the Principal Stress Values on the Dam Body: Mosul Dam Case Study
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This study examines the vibrations produced by hydropower operations to improve embankment dam safety. This study consists of two parts: In the first part, ANSYS-CFX was used to generate a three-dimensional (3-D) finite volume (FV) model to simulate a vertical Francis turbine unit in the Mosul hydropower plant. The pressure pattern result of the turbine model was transformed into the dam body to show how the turbine unit's operation affects the dam's stability. The upstream reservoir conditions, various flow rates, and fully open inlet gates were considered. In the second part of this study, a 3-D FE Mosul dam model was simulated using an ANSYS program. The operational turbine model's water pressure pattern is conveyed t

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Publication Date
Sat Jan 02 2016
Journal Name
Iraq Nat J Chem
Adsorption study of drug cefixime onto surface Iraqi Attapulgite
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Publication Date
Tue Mar 01 2016
Journal Name
Journal Of Oral And Maxillofacial Surgery, Medicine, And Pathology
Cheek onchocercoma: A case report
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Onchocerciasis is an infection with cutaneous, ocular and systemic manifestations caused by the filarial nematode Onchocerca volvulus, which is transmitted by the bite of various species of the anthropophilic blood-sucking Simulium vectors (black flies). Onchocerciasis is endemic to the savannahs and rainforests of subequatorial Africa and in some countries of the Arabian Peninsula, notably Yemen and Oman, and in Central America, and the Amazon basin of South America. Onchocercomas, which can be defined as subcutaneous fibrous nodules containing adult worms, are among the variable clinical manifestations of this infestation; they are either superficial or deep and usually located over bony prominences. In this paper we report a case of an o

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Publication Date
Fri Aug 02 2019
Journal Name
The Fifth Conference On Smart Monitoring, Assessment And Rehabilitation Of Civil Structures Smar 2019
Rehabilitation of Mohammed Al-Qassim Bridge after Fire Attack Using CFRP Sheets: A Case Study
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Publication Date
Tue Oct 01 2019
Journal Name
Environmental Earth Sciences
Urban geochemistry assessment using pollution indices: a case study of urban soil in Kirkuk, Iraq
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Publication Date
Sat Feb 26 2022
Journal Name
Iraqi Journal Of Science
Uncertainty Analysis to Assess Depth Conversion Accuracy: A Case Study of Subba Oilfield, Southern Iraq
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    The depth conversion process is a significant task in seismic interpretation to establish the link between the seismic data in the time domain and the drilled wells in the depth domain. To promote the exploration and development of the Subba oilfield, more accurate depth conversion is required. In this paper, three approaches of depth conversions: Models 1, 2, and 3 are applied from the simplest to the most complex on Nahr Umr Reservoir in Suba oilfield. This is to obtain the best approach, giving less mistakes with the actual depth at well locations and good inter/extrapolation between or away from well controls. The results of these approaches, together with the uncertainty analysis provide a reliable velocity model

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Publication Date
Tue Dec 01 2020
Journal Name
Journal Of Economics And Administrative Sciences
The Effect of strategic Supremacy on strategic success A case study in Thi Qar Governorate
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Purpose To test the effect of strategic Supremacy on strategic success A case study in Thi Qar Governorate, methodology/approach – this is a mandatory entry.

a case study was used and applied to the Department managers of Government of the province of Thi Qar, Research limitations/implications – It is clear that the strategic Supremacy variable is not being used effectively to achieve strategic success.

Practical implications – use strategic supremacy positively to Support for strategic success. implementing and monitoring ignorance of them in how to use thi

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Publication Date
Tue Aug 31 2021
Journal Name
Iraqi Journal Of Science
An Investigation of Seismic Velocity Variation through a Tectonic Boundaries-Case Study in Central Iraq
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      A 3D velocity model was created by using stacking velocity of 9 seismic lines and average velocity of 6 wells drilled in Iraq. The model was achieved by creating a time model to 25 surfaces with an interval time between each two successive surfaces of about 100 msec.  The summation time of all surfaces reached about 2400 msec, that was adopted according to West Kifl-1 well, which penetrated to a depth of 6000 m, representing the deepest well in the study area. The seismic lines and well data were converted to build a 3D cube time model and the velocity was spread on the model. The seismic inversion modeling of the elastic properties of the horizon and well data was applied to achieve a corrected veloci

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Publication Date
Mon Feb 08 2021
Journal Name
Public Works Management & Policy
Causes of Problems in Post-Disaster Emergency Re-Construction Projects—Iraq as a Case Study
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This study examines the causes of time delays and cost overruns in a selection of thirty post-disaster reconstruction projects in Iraq. Although delay factors have been studied in many countries and contexts, little data exists from countries under the conditions characterizing Iraq during the last 10-15 years. A case study approach was used, with thirty construction projects of different types and sizes selected from the Baghdad region. Project data was gathered from a survey which was used to build statistical relationships between time and cost delay ratios and delay factors in post disaster projects. The most important delay factors identified were contractor failure, redesigning of designs/plans and change orders, security is

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Publication Date
Sun Jun 30 2002
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Determination of Surface Diffusion Coefficient for Adsorption Process
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