Cerium oxide (CeO2), or ceria, has gained increasing interest owing to its excellent catalytic applications. Under the framework of density functional theory (DFT), this contribution demonstrates the eect that introducing the element nickel (Ni) into the ceria lattice has on its electronic, structural, and optical characteristics. Electronic density of states (DOSs) analysis shows that Ni integration leads to a shrinkage of Ce 4f states and improvement of Ni 3d states in the bottom of the conduction band. Furthermore, the calculated optical absorption spectra of an Ni-doped CeO2 system shifts towards longer visible light and infrared regions. Results indicate that Ni-doping a CeO2 system would result in a decrease of the band gap. Finally,

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 a

This study aims to reveal the role of one of the artificial intelligence (AI) techniques, “ChatGPT,” in improving the educational process by following it as a teaching method for the subject of automatic analysis for students of the Chemistry Department and the subject of computer security for students of the Computer Science Department, from the fourth stage at the College of Education for Pure Science (Ibn Al-Haitham), and its impact on their computational thinking to have a good educational environment. The experimental approach was used, and the research samples were chosen intentionally by the research community. Research tools were prepared, which included a scale for CT that included 12 items and the achievement test in b

The interaction between comet Hale-Bopp tail with the solar wind is investigated in the present paper using magneto-hydrodynamic (MHD) numerical simulation, which accounts for the presence of the interplanetary magnetic field (IMF). The simulation is based on three-dimensional Lax-Wendroff explicit scheme, providing second-order accuracy in space and time. The ions produced from the nucleus of the comet will add considerable effects on the microstructure of the solar wind, thus severely altering its physical properties. The present simulation focuses on careful analysis of these properties by means of simulating the behavior of the comet Hale-Bopp’s tail at 1 AU from the sun. These properties include the changes of the plasma density,

Within the framework of big data, energy issues are highly significant. Despite the significance of energy, theoretical studies focusing primarily on the issue of energy within big data analytics in relation to computational intelligent algorithms are scarce. The purpose of this study is to explore the theoretical aspects of energy issues in big data analytics in relation to computational intelligent algorithms since this is critical in exploring the emperica aspects of big data. In this chapter, we present a theoretical study of energy issues related to applications of computational intelligent algorithms in big data analytics. This work highlights that big data analytics using computational intelligent algorithms generates a very high amo

Roller compacted concrete (RCC) is a form of plain concrete pavement (JPCP). RCC is a zero-slump concrete consisting of well-graded aggregate, cement and water. RCC has many advantages over other pavement types, particularly cost and speed of construction. Recently, RCC has undergone many developments mostly directed towards improving quality, including smoothness and durability. RCC now has the potential to combine the performance of concrete with the low cost of asphalt installation. A two-layer system of RCC with different aggregate types and sizes was utilized in this study. This paper presents the determination of load transfer stiffness across induced joints in a two-layer RCC system based on a cyclic shear test. The test was