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.
Increasing the variety of products that are being designed with sculptured surfaces, efficient machining of these surfaces has become more important in many manufacturing industries. The objective of the present work is the investigation of milling parameters for the sculptured surfacesthat effecting of surface roughness during machining of Al-alloy. The machining operation implemented on C-TEK CNC milling machine. The influence of the selected variables on the chosen characteristics have been accomplished using Taguchi design approach, also ANOVA had been utilized to evaluate the contributionsof each parameter on proc
... Show MoreThe genic variation analysis of Pseudomonas aeruginosa after filtering the spurious variation appeared that 222 variable loci out of 5572 loci were detected. The type of variation analysis revealed that single nucleotide polymorphism was highly significant compared with other types of variation due the fact that the genome variation was achieved on the level of microevolution. Moreover, the proportional effect of functional scheme showed that genes responsible for environmental information were the highest comparable to another scheme. The genes of environmental information processing locate on outer membrane and face the defense strategy of the host therefore change in proteins coded by these genes lead to escape the immune system defense
... Show More
(2)
(42)
(40)
(3)
(1)
The excellent specifications of electrodes coated with lead dioxide material make it of great importance in the industry. So it was suggested this study, which includes electrodeposition of lead dioxide on graphite substrate, knowing that the electrodeposition of lead dioxide on graphite studied earlier in different ways.
In this work the deposition process for lead dioxide conducted using electrolytic solution containing lead nitrate concentration 0.72 M with the addition of some other material to the solution, such as copper nitrate, nickel nitrate, sodium fluoride and cetyl trimethyl ammonium bromide, but only in very small concentrations. As for the operating conditions, the effect of change potential and temperature as well
... Show MoreIn this experimental study, the use of stone powder as a stabilizer to the clayey soil studied. Tests of Atterberg limits, compaction, fall cone (FCT), Laboratory vane shear (LVT), and expansion index (EI) were carried out on soil-stone powder mixtures with fixed ratios of stone powder (0%, 5%, 10%, 15%, and 20%) by the dry weight. Results indicated that the undrained shear strength obtained from FCT and LVT increased at all the admixture ratios, and the expansion index reduced with the increase of the stone powder.
(15)
(9)
Soil stabilization with liquid asphalt is considered as a sustainable step towards roadway construction on problematic subgrade soil, there are no requirements to import good quality materials or to implement energy consumption, but to mix the readily available soil with liquid asphalt through the cold mix technique. In this work, collapsible soil obtained from Nasiriya was mixed with asphalt emulsion, lime, and combinations of lime and asphalt emulsion (combined stabilization) and tested in the laboratory for California bearing ratio in dry and soaked conditions. Field trial sections have been prepared with the same combinations and subjected to plate bearing test. The influence of combined stabilization on the structural properties in ter
... Show More
(1)
Background: Computerized tomography scan can show the detailed anatomy of the nose and paranasal sinuses. The sphenoid sinus is a very important corridor for the skull base because of its central position. This sinus has a great range of variation and can put structures around at risk during surgery. This study aims to examine the variation of the sphenoid sinus, and its relation to other structures around it, in this sample of Iraqi patients. Materials and Methods: CT scans of 122 patients, were obtained, and submitted for examination and measurements, during the period between September 2020 and September 2021. Observation of The sphenoid sinus pneumatization pattern, clival extension, Onodi cell, and lateral pneumatization of SS.
... Show More
(1)