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Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite
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This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as absorption, reflectivity, the real and imaginary components of the dielectric function, Loss function, reflective index, extinction coefficient were calculated. Thus, the current findings reveal that Pd–BaTiO3 is a promising composition to be synthesised experimentally for various optoelectronic applications. The predicted negative formation energies values of the inspected structures are indicating to exothermic formation process of such materials and more interestingly indicating also to the stability and possibility of synthesizing such materials experimentally.

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Publication Date
Mon Sep 30 2002
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Modeling of a Sulfonation Reactor in a Detergent Factory
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Publication Date
Fri Jun 01 2018
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Improvement of Fading Channel Modeling Performance for Wireless Channel
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Fading channel modeling is generally defined as the variation of the attenuation of a signal with various variables. Time, geographical position, and radio frequency which is included. Fading is often modeled as a random process. Thus, a fading channel is a communication channel that experiences fading. In this paper, the proposed system presents a new design and simulate a wireless channel using Rayleigh channels. Rayleigh channels using two approaches (flat and frequency-selective fading channels) in order to calculate some path space loss efforts and analysis the performance of different wireless fading channel modeling. The results show that the bite error rate (BER) performance is dramatically improved in the value of signal to

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Publication Date
Sun Mar 20 2022
Journal Name
Geotechnical Engineering And Sustainable Construction
Numerical Modeling of Circular Tunnel Alignment Under Seismic Loading
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The continuous increase in population has led to the development of underground structures like tunnels to be of great importance due to several reasons. One of these reasons is that tunnels do not affect the living activities on the surface, nor they interfere with the existing traffic network. More importantly, they have a less environmental impact than conventional highways and railways. This paper focuses on using numerical analysis of circular tunnels in terms of their behavior during construction and the deformations that may occur due to overburden and seismic loads imposed on them. In this study, the input data are taken from an existing Cairo metro case study; results were found for the lateral and vertical displacements, the Peak

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Publication Date
Wed Jun 30 2021
Journal Name
Scientific Review Engineering And Environmental Sciences
Mesoscale modeling of fracture in cement and asphalt concrete
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In this paper, mesoscale modeling is performed to simulate and understand fracture behavior of two concrete composites: cement and asphalt concrete using disk-shaped compact tension (DCT) tests. Mesoscale models are used as alternative to macroscale models to obtain better realistic behavior of composite and heterogeneous materials such as cement and asphalt concrete. In mesoscale models, aggregate and matrix are represented as distinct materials and each material has its characteristic properties. Disk-shaped compact tension test is used to obtain tensile strength and fracture energy of materials. This test can be used as a better alternative to other tests such as three points bending tests because it is more convenient for both field and

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Publication Date
Fri Dec 09 2016
Journal Name
Éditions Universitaires EuropÉennes Est Gestionée Par Omniscriptum Management Gmbh
Adaptive Modeling of Urban Dynamics With Mobile Phone Database
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The communication networks (mobile phone networks, social media platforms) produce digital traces from their usages. This type of information help to understand and analyze the human mobility in very accurate way. By these analyzes over cities, it can give powerful data on daily citizen activities, urban planners have in that way, relevant indications for decision making on design and development. As well as, the Call detail Records (CDRs) provides valuable spatiotemporal data at the level of citywide or even nationwide. The CDRs could be analyzed to extract the life patterns and individuals mobility in an observed urban area and during ephemeral events. Whereas, their analysis gives conceptual views about human density and mobility pattern

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Publication Date
Thu Feb 01 2018
Journal Name
Journal Of Engineering
Mathematical Modeling of Compaction Curve Using Normal Distribution Functions
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Compaction curves are widely used in civil engineering especially for road constructions, embankments, etc. Obtaining the precise amount of Optimum Moisture Content (OMC) that gives the Maximum Dry Unit weight gdmax. is very important, where the desired soil strength can be achieved in addition to economic aspects.

In this paper, three peak functions were used to obtain the OMC and gdmax. through curve fitting for the values obtained from Standard Proctor Test. Another surface fitting was also used to model the Ohio’s compaction curves that represent the very large variation of compacted soil types.

The results showed very good correlation between the values obtained from some publ

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Publication Date
Sat Jan 01 2022
Journal Name
Aip Conference Proceedings
Sensitize the electrical properties of partial substitution on mercury-base superconductor manufactured by the solid reaction method
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Publication Date
Sun Jan 01 2023
Journal Name
International Journal Of Nonlinear Analysis And Applications
Rock facies classification and its effect on the estimation of original oil in place based on petrophysical properties data
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The most significant function in oil exploration is determining the reservoir facies, which are based mostly on the primary features of rocks. Porosity, water saturation, and shale volume as well as sonic log and Bulk density are the types of input data utilized in Interactive Petrophysics software to compute rock facies. These data are used to create 15 clusters and four groups of rock facies. Furthermore, the accurate matching between core and well-log data is established by the neural network technique. In the current study, to evaluate the applicability of the cluster analysis approach, the result of rock facies from 29 wells derived from cluster analysis were utilized to redistribute the petrophysical properties for six units of Mishri

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Publication Date
Sat Jan 01 2011
Journal Name
Journal Of Engineering
PHYSICAL MODEL OF KEROSENE PLUME MIGRATION IN AN UNSATURATED ZONE OF THE SANDY SOIL
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Physical model tests were simulated non-aqueous phase liquid (NAPL) spill in two-dimensional
domain above the water table. Four laboratory experiments were carried out in the sand-filled
tank. The evolution of the plume was observed through the transparent side of this tank and the
contaminant front was traced at appropriate intervals. The materials used in these experiments
were Al-Najaf sand as a porous medium and kerosene as contaminant.
The results of the experiments showed that after kerosene spreading comes to a halt (ceased) in
the homogeneous sand, the bulk of this contaminant is contained within a pancake-shaped lens
situated on top of the capillary fringe.

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Publication Date
Sat Aug 31 2019
Journal Name
Iraqi Journal Of Physics
The Q-switched Nd:YAG laser shock processing effects on mechanical properties of C86400 Cu-Zn alloy: Q-switched Nd:YAG laser shock processing effects on mechanical properties of C86400 Cu-Zn alloy
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The aim of this paper is to investigate the effects of Nd:YAG laser shock processing (LSP) on micro-hardness and surface roughness of 86400Cu-Zn alloy. X-ray fluorescence technique was used to analyze the chemical composition of this alloy. LSP treatment was performed with a Q-switched Nd: YAG laser with a wavelength of 1064 nm. The results show that laser shock processing can significantly increase. The micro-hardness and surface roughness of the LSP-treated sample. Vickers diamond indenter was used to measure the micro-hardness of all samples with different laser pulse energy and the different number of laser pulses. It is found that the metal hardness can be significantly increased to more than 80% by increasing the laser energy and t

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