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.
The current paper focuses on the studying the forms of (even-even) nuclei for the heavy elements with mass numbers in the range from (A=226 - 252) for isotopes. This work will consist of studying deformation parameters which is deduced from the "Reduced Electric Transition Probability" which is in its turn dependent on the first Excited State . The "Intrinsic Electric Quadrupole Moments" (non-spherical charge distribution) were also calculated. In addition to that the Roots Mean Square Radii (Isotope Shift) are accounted for in order to compare them with the theoretical results.
The difference and variation in shapes of nuclei for the selected isotopes were detected using &
... Show MoreExperimental results on harmonic distortions in 13.56 MHz RF Argon glow discharge using different grounded electrodes areas and electrodes spacing are presented. The experiment is carried out at four pressure values. RF power values used are between 20 and 90 watts. The results indicate significant increase in distortions at two specific values of the cone angle enclosing the two electrodes within its geometrical volume. The computation of the cone head angle gave the symmetry discharge or asymmetry as well as when the angle is small the condition is near symmetry discharge associated with decrease in the nonlinearity.
Exponential Distribution is probably the most important distribution in reliability work. In this paper, estimating the scale parameter of an exponential distribution was proposed through out employing maximum likelihood estimator and probability plot methods for different samples size. Mean square error was implemented as an indicator of performance for assumed several values of the parameter and computer simulation has been carried out to analysis the obtained results
ln this paper we study and analysis the total intensity (P) .and the horizontal component (H) of the geomagnetic field at the location na ly Brazilian Anomaly (Lat 25S, long 4S·"W) in which the geomagnetic field intensity has a minimum value. We examine the relationship. between the { F , H) with altitude at a certain latitude, and
.relationship between ( F,H ) with the latitude at the certain altitude
.We study also the nature of the secular variation of the
... Show MoreBackground: Vitamin D improves innate immunity by enhancing the expression of antimicrobial peptides. The antimicrobial action of cathelicidin is widespread and effective against cariogenic bacteria. This research aimed to investigate the effect of vitamin D deficiency on the level of salivary cathelicidin concerning dental caries experience.
Subjects and Methods: A case-control study was carried out, and the sample was composed of 80 females; the study group involved 40 females with a serum vitamin D concentration of less than 10 ng/ml. In addition to the control group involving 40 females wh
... Show MoreThe presnty study included physical , chemical and phycological study of choosen one station in Habbaniya lake to investigat the diurnal variation at each hour along the 24 hours . Water temperature showed clear variations and coincided with the air temperature of study , Habbaniya Water was alkaline with pH more than 7 without clear diurnal variations . Conductivity , Total hardness , Calcium and Magnesium values showed no clear varitions . Chloride and Salinity values appeared relatively stable . The data showed a relative increasing in Dissolve oxygen values during the night hours.On the other hand the alkalinity and acidity values were unstable during the 24 hours of the study. According to the quantitative s
... Show MoreWeibull distribution is considered as one of the most widely distribution applied in real life, Its similar to normal distribution in the way of applications, it's also considered as one of the distributions that can applied in many fields such as industrial engineering to represent replaced and manufacturing time ,weather forecasting, and other scientific uses in reliability studies and survival function in medical and communication engineering fields.
In this paper, The scale parameter has been estimated for weibull distribution using Bayesian method based on Jeffery prior information as a first method , then enhanced by improving Jeffery prior information and then used as a se
... Show MoreThis paper is devoted to compare the performance of non-Bayesian estimators represented by the Maximum likelihood estimator of the scale parameter and reliability function of inverse Rayleigh distribution with Bayesian estimators obtained under two types of loss function specifically; the linear, exponential (LINEX) loss function and Entropy loss function, taking into consideration the informative and non-informative priors. The performance of such estimators assessed on the basis of mean square error (MSE) criterion. The Monte Carlo simulation experiments are conducted in order to obtain the required results.
Abstract: Objectives: To investigate the effect of temperature elevation on the bonding strength of resin cement to the zirconia ceramic using fractional CO2 laser. Background: Fractional CO2 laser is an effective surface treatment of zirconia ceramic, as it increases the bonding strength of zirconia to resin cement. Methods: Thirty sintered zirconia discs (10 mm diameter, 2 mm thickness) were prepared and divided to three groups (N=10) and five diffident pulse durations were used in each group (0.1, 0.5, 1, 5 and 10 ms). Group A was treated with 10 W power setting, group B with 20 W and group C with 30 W. During laser irradiation, temperature elevation measurement was recorded for each specimen. Luting cement was bonded to the treated z
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