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.
In this paper, Bayes estimators of Poisson distribution have been derived by using two loss functions: the squared error loss function and the proposed exponential loss function in this study, based on different priors classified as the two different informative prior distributions represented by erlang and inverse levy prior distributions and non-informative prior for the shape parameter of Poisson distribution. The maximum likelihood estimator (MLE) of the Poisson distribution has also been derived. A simulation study has been fulfilled to compare the accuracy of the Bayes estimates with the corresponding maximum likelihood estimate (MLE) of the Poisson distribution based on the root mean squared error (RMSE) for different cases of the
... Show MoreIn this paper, we present a comparison of double informative priors which are assumed for the parameter of inverted exponential distribution.To estimate the parameter of inverted exponential distribution by using Bayes estimation ,will be used two different kind of information in the Bayes estimation; two different priors have been selected for the parameter of inverted exponential distribution. Also assumed Chi-squared - Gamma distribution, Chi-squared - Erlang distribution, and- Gamma- Erlang distribution as double priors. The results are the derivations of these estimators under the squared error loss function with three different double priors.
Additionally Maximum likelihood estimation method
... Show MoreThe current study involves placing 135 boreholes drilled to a depth of 10 m below the existing ground level. Three standard penetration tests (SPT) are performed at depths of 1.5, 6, and 9.5 m for each borehole. To produce thematic maps with coordinates and depths for the bearing capacity variation of the soil, a numerical analysis was conducted using MATLAB software. Despite several-order interpolation polynomials being used to estimate the bearing capacity of soil, the first-order polynomial was the best among the other trials due to its simplicity and fast calculations. Additionally, the root mean squared error (RMSE) was almost the same for the all of the tried models. The results of the study can be summarized by the production
... Show MoreBackground: Ceramic veneers represent the treatment of choice in minimally invasive esthetic dentistry; one of the critical factors in their long term success is marginal adaptation. The aim of the present study is to evaluate the marginal gap of ceramic veneers by using two different fabrication techniques and two different designs of preparation. Material and methods: A typodont maxillary central incisor used in the preparation from which metal dies were fabricated, which were in turn used to make forty stone dies. The dies divided into four experimental groups, each group had ten samples: A1: prepared with butt-joint incisal reduction and restored with IPS e.max CAD, A2: prepared with overlapped incisal reduction and restored with IPS e.
... Show MoreBackground: The marginal adaptation has a key role in the success and longevity of the fixed dental restoration, which is affected by the impression and the fabrication techniques .The objective of this in vitro study was to evaluate and compare the marginal fitness of lithium disilicate crowns using two different digital impression techniques (direct and indirect techniques) and two different fabrication techniques (CAD/CAM and Press techniques). Materials and Methods: Thirty two sound upper first premolar teeth of comparable size extracted for orthodontic reason were selected in this study .Standardized preparation of all teeth samples were carried out with modified dental surveyor to receive all ceramic crown restoration with 1 mm deep
... Show MoreIn this research an improvement of the efficiency of vacuum microwave tube type Gl-19B had been done by activation of internal surfaces using two specific procedures which can qualify the tubes to be reused again.
The first method was the reevacuuated and heating treatment.
The second method wa:s the glow discharge method which used ro
clean the electrodes and improve the vacuum to about!o·8 mbar.
In order to study the using of both processes together, Copper
samples heate
... Show MoreThis paper represents an experimentalattempt to predict the influence of CO2-MAG welding variables on the shape factors of the weld joint geometry. Theinput variables were welding arc voltage, wire feeding speed and gas flow rate to investigate their effects on the shape factorsof the weld joint geometry in terms of weld joint dimensions (bead width, reinforcement height, and penetration). Design of experiment with response surface methodology technique was employed to buildmathematical models for shape factors in terms of the input welding variables. Thepredicted models were found quadratic type and statistically checked by ANOVA analysis for adequacy purpose. Also, numerical and graphical optimizations were carried out
... Show MoreDue to the remarkable progress in photovoltaic technology, enhancing efficiency and minimized the costs have emerged as global challenges for the solar industry. A crucial aspect of this advancement involves the creation of solar cell antireflection coating, which play a significant role in minimizing sunlight reflection on the cell surface. In this study, we report on the optimization of the characteristics of CeO2 films prepared by pulsed laser deposition through the variation of laser energy density. The deposited CeO2 nanostructure films have been used as an effective antireflection coating (ARC) and light-trapping morphology to improve the efficiency of silicon crystalline solar cell. The film’s thickness increases as laser fluence i
... Show More