This contribution investigates the effect of the addition of the Hubbard U parameter on the electronic structural and mechanical properties of cubic (C-type) lanthanide sesquioxides (Ln2O3). Calculated Bader's charges confirm the ionic character of Lnsingle bondO bonds in the C-type Ln2O3. Estimated structural parameters (i.e., lattice constants) coincide with analogous experimental values. The calculated band gaps energies at the Ueff of 5 eV for these compounds exhibit a non-metallic character and Ueff of 6.5 eV reproduces the analogous experimental band gap of cerium sesquioxide Ce2O3. We have thoroughly investigated the effect of the O/Ce ratios and the effect of hafnium (Hf) and zirconium (Zr) dopants on the reduction energies of CeOx configurations. Our analysis for the reduction energy of CeO2, over a wide range of temperatures displays that, shuffling between the two +4 and +3 oxidation states of Ce exhibit a temperature-independent behaviour. Higher O/Ce ratios necessitate lower reduction energies. Our results on Cesingle bondHfsingle bondZrsingle bondO alloys are in reasonable agreements with analogous fitted values pertinent to lowering reduction energies and shrinkage in lattice parameters when contrasted with pure CeO2. Structural analysis reveals that Hf and Zr atoms in the solid solution are shifted towards the nearest vacancies upon reduction. It is hoped that values provided herein to shed an atomic-base insight into the reduction/oxidation thermodynamics of increasingly deployed catalysts for environmental applications.
Fe2O3/ MgO composites with various ratios (90/10,80/20,70/30,60/40 and 50/50 %wt.) were synthesized. Their structure was determined using the X-ray diffractometer. The observed X-Ray patterns showed that the prepared composites were polycrystalline with rhombohedral Hematite (α-Fe2O3) whereas the preferred planes for crystal growth are (104) and (110).The dielectric properties of the Fe2O3/ MgO, with various ratios, were studied as function of frequency over the range (50Hz – 1MHz). The conductivity as function to frequency σa.c(ω) obey the power law relation σa.c(ω) =Aωs where the factor s was found to be in the range 0.329-0.491. The dielectric constant is increasing; but not in a regular way, with the increasing MgO content. The
... Show MoreThis study demonstrates a sustainable, "trash-to-treasure" approach by synthesizing silica (SiO2) and alumina (Al2O3) nanoparticles (30–80 nm) from local waste materials—specifically bentonite clay and aluminum wire waste—and evaluating their performance as eco-friendly additives in 350 mL water-based drilling fluids at concentrations ranging from 0 to 1 g. Tested under harsh subsurface conditions, the incorporated nanoparticles significantly enhanced the fluids' rheological properties, lubricity, filtration control, and swelling inhibition, with performance scaling alongside nanoparticle concentration. Notably, at a 1 g dosage, the fluid's yield point spiked from a baseline of 9 to 42 for SiO2 and 32 for (Al2O3), while h
... Show MoreResearch in Iraq has expanded in the field of material technology involving the properties of the lightweight concrete using natural aggregate. The use of the porcelinate aggregate in the production of structural light concrete has a wide objective
and requires a lot of research to become suitable for practical application. In this work metakaolin was used to improve compressive strength of lightweight porcelinate concrete which usually have a low compressive strength about 17 MPa . The effect of metakaolin on compressive, splitting tensile, flexure strengths and modulus of elasticity of lightweight porcelinate concrete have been investigated. Many experiments were carried out by replacing cement with different percentages of
met
Results of a study of alloys and films with various Pb content have been reported and discussed. Films of of thickness 1.5
Zinc sulfide(ZnS) thin films of different thickness were deposited on corning glass with the substrate kept at room temperature and high vacuum using thermal evaporation technique.the film properties investigated include their absorbance/transmittance/reflectance spectra,band gap,refractive index,extinction coefficient,complex dielectric constant and thickness.The films were found to exhibt high transmittance(59-98%) ,low absorbance and low reflectance in the visible/near infrared region up to 900 nm..However, the absorbance of the films were found to be high in the ultra violet region with peak around 360 nm.The thickness(using optical interference fringes method) of various films thichness(100,200,300,and 400) nm.The band gap meas
... Show MoreThis study investigates the ionic conduction dependence on the size of alkaline cations in gel polymer electrolytes based on double iodide can enhance by incorporating a salt having a bulky cation.
... Show MoreThin films of CdS:Cu were deposited onto glass substrate temperature 400 °c. The optieal properties have been studied for Cds doped with (1,3, 8) wt% of Cu before and after Gamma irradiation. It was found that the irradiation caused an ( Frenkel defects) where the atom is displaced from its original site leaving vacancy and forming on interstitial atom. It was found the irradiation caused an absorption edge shifting towards long wavelength as a result of the increasing of Cu concentration.
Concrete is widely used in construction materials since early 1800's. It has been known that concrete is weak in tension, so it requires some addition materials to have ductile behavior and enhance its tensile strength and strain capacity to improve their uses. In this study reactive powder concrete (RPC) was used with steel fiber by using different types of cement; (Ordinary Portland cement (OPC) and/or Portland- Limestone cement (PLC)) with three types of mixtures (OPC at the first mix, 50 % OPC and 50 % PLC at the second mix and PLC at the third mix). The behavior of RPC with steel fibers on compressive strength and tensile strength of concrete with different ages of curing (7, 14, 28 and 60) days and shrinkage have been studied. The clo
... Show More