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Influence of the variation in the Hubbard parameter (<i>U</i>) on activation energies of CeO<sub>2</sub>-catalysed reactions
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Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO2) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO2-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetylene over the CeO2(111) surface. Overall, we find that both activation and reaction energies positively correlate with the increase in the U value. In addition to benchmarking against more accurate theoretical methodologies, we suggest that U values are better optimized against kinetics modelling of experimentally observed profiles of products from the catalytic-assisted system of reactions.

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Publication Date
Thu Sep 01 2016
Journal Name
Journal Of Engineering
Calculating the Transport Density Index from Some of the Productivity Indicators for Railway Lines by Using Neural Networks
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The efficiency evaluation of the railway lines performance is done through a set of indicators and criteria, the most important are transport density, the productivity of enrollee, passenger vehicle production, the productivity of freight wagon, and the productivity of locomotives. This study includes an attempt to calculate the most important of these indicators which transport density index from productivity during the four indicators, using artificial neural network technology. Two neural networks software are used in this study, (Simulnet) and (Neuframe), the results of second program has been adopted. Training results and test to the neural network data used in the study, which are obtained from the international in

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Publication Date
Sat Oct 24 2020
Journal Name
Pramana
The neutron halo structure of 14B, 22N, 23O and 24F nuclei studied via the generalised Woods–Saxon potential
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The radial wave functions of the generalise dWoods–Saxon (GWS) potential within the two-body model of (Core + n) have been used to study the ground-state density distributions of protons, neutrons and matter and the associated root mean square (rms) radii of neutron-rich 14B, 22N, 23O and 24F halo nuclei. The calculated results show that the radial wave functions of the generalised Woods–Saxon potential within the two-body model succeed in reproducing neutron halo in these exotic nuclei. Elastic electron scattering form factors for these nuclei are studied by combining the charge density distributions with the plane-wave Born approximation (PWBA).

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Publication Date
Sun Jan 01 2023
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees22fr
Theoretical insights into the study of the electronic transition reaction process from D35CPDT molecule dye to SnO2 semiconductor
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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
Response of The Ionospheric E- Region Critical Frequency and Virtual Height to the Solar Cycle 22 over Baghdad
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      The aim of this study is to investigate the response of the Ionospheric E- region critical frequency foE and virtual height h’E parameters to the solar cycle 22 over Baghdad city (latitude 33.3˚N, longitude 44.4˚E). Both parameters display a high relationship with the sunspot relative number within the ascending and descending phases of the solar cycle. The E - region response to the solar activity is obvious around noon, sunrise and sunset times. Moreover, the gap between local mid-afternoon, dawn and sunset values expands as solar activity rises. In the declining phase, there is an aspect that results in a peak of disturbance. This portion may have

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Publication Date
Mon Jun 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
The possibility of Using the Low-Cost External Antenna with Smartphone for Accurate Surveying Applications by RTX Technology
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Abstract<p>Real Time Extended (RTX) technology works to take advantage of real-time data comes from the global network of tracking stations together with inventor locating and compression algorithms to calculate and relaying the orbit of satellite, satellite atomic clock, and any other systems corrections to the receivers, which lead to real-time correction with high accuracy. These corrections will be transferred to the receiver antenna by satellite (where coverage is available) and by IP (Internet Protocol) for the rest of world to provide the accurate location on the screen of smartphone or tablet by using specific software. The purpose of this study was to assess the accuracy of Global Navig</p> ... Show More
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Publication Date
Wed Aug 30 2023
Journal Name
Iraqi Journal Of Science
Obtaining an Empirical Earthquakes Duration Magnitude Formula from the Data of the Iraqi Meteorological Organization and seismology (IMOS)
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     This paper calculated the Duration Magnitude (MD) equation using data from the Iraqi Meteorological Organization and seismology (IMOS). It is an empirically determined equation and expressed as:

The epicentral distance and local geological conditions affect the duration of the coda. The data is obtained from 7 seismic stations in the network. The new proposed duration magnitude equation results from applying linear regression analysis to the data of a seismic signal duration with correlation coefficient R2=0.76; and a standard deviation value of 0.049. Station corrections indicated by Sc are also specified for the seismic stations that range from -0.024 to + 0.02.

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Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
Hard Chromium Electroplating and Improvement the Properties by the Thermo Chemical Treatments (Solid Carburizing) of Low Carbon Steel
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In this research the hard chromium electroplating process, which is one of the common methods of overlay coating was used, by using chromium acid as source of chromium and sulphuric acid as catalyst since the ratio between chromic acid and sulphuric acid is (100 : 1) consequently. Plating process was made by applying current of density (40 Amp / dm2) and the range of solution temperature was (50 – 55oC) with different time periods (1-5 hr). A  low carbon steel type (Ck15) was used as substrate for hard chromium electroplating. Solid carburization was carried out for hard chromium plating specimen at temperature (925oC) with time duration (2 hr) to be followed with quenching and tempering

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Publication Date
Mon Nov 11 2024
Journal Name
International Journal Of Dynamics And Control
The modified predator–prey model response to the effects of global warming, wind flow, fear, and hunting cooperation
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Global warming has a serious impact on the survival of organisms. Very few studies have considered the effect of global warming as a mathematical model. The effect of global warming on the carrying capacity of prey and predators has not been studied before. In this article, an ecological model describing the relationship between prey and predator and the effect of global warming on the carrying capacity of prey was studied. Moreover, the wind speed was considered an influencing factor in the predation process after developing the function that describes it. From a biological perspective, the nonnegativity and uniform bounded of all solutions for the model are proven. The existence of equilibria for the model and its local stability is inves

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Publication Date
Thu Jan 10 2019
Journal Name
Journal Of The College Of Education For Women
The goal orientations for the university students
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The learner has face difficult in learning if not accompanied by strong motivation and directed towards the goals that set for himself,as the type of goals set by the learner for himself is behind the difference in achievement of the tasks and levels of learning, and these goals are directed and determine his behavior Academic in the way of his study and his direction towards the lecture and colleagues.

Current research aims:

  • Build tools for thegoal orientations
  • Measuring the goal orientations for the university studentsaccording to variables (type/class/specialization).

In order to achieve the objectives of the research, a tool was constructed for the (the Goal orientation), and the psych

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Publication Date
Sun Mar 04 2018
Journal Name
Iraqi Journal Of Science
Evaluate the climatic conditions for the Karbala
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This study includes determining the climatic conditions and the nature of the reservoirs in the region with the determination of the flow direction of the aquifer. The meteorological data for the Karbala station for the period 1976-2016 showed that the values of the monthly rates of temperature, precipitation, evaporation, relative humidity, wind speed and Sunshine duration are (24.19 C◦), (95.5 mm), (2828.6mm), (46.75%), (2.76 m/sec), and (8.61 h/day) respectively. Thorenthwait method was used to calculate the values of Potential Evapotranspiration (PE) then determine the annual value of WS and WD which equal 28.11mm and 941.94mm respectively. Mean monthly water surplus for the period (1976-2016) was recorded about (9.36mm) in Decembe

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