Preferred Language
Articles
/
yxYoFIcBVTCNdQwCijQn
Geometries, electronic properties and stability of molybdenum and tungsten nitrides low-index surfaces
...Show More Authors

Motivated by the vital role played by transition metal nitride (TMN) composites in various industrial applications, the current study reports electronic properties, thermodynamic stability phase diagram, and vacancy formation energies of the plausible surfaces of NiAs and WC-type structures of δ3-MoN and δ-WN hexagonal phases, respectively. Low miller indices of various surface terminations of δ3-MoN and δ-WN namely, (100), (110), (111), and (001) have been considered. Initial cleaving of δ3-MoN bulk unit cell offers separate Mo and N terminations signified as δ3-MoN (100): Mo, δ3-MoN(100):N, δ3-MoN(111):Mo, δ3-MoN(111):Mo, and δ3-MoN(001):Mo. However, the (110) plane reveals mix-truncated with both molybdenum and nitrogen atoms i.e. δ3-MoN (110): MoN. Likewise, the δ-WN faces incur analogous surface terminations. Ab initio atomistic thermodynamic analyses predict that, N-terminated (111) and (100) slabs to be the most energetically favourable surface terminations amongst the explored surfaces of δ3-MoN and δ-WN, respectively. Evidenced by plotted density of states (DOS), bulk and surfaces of δ3-MoN and δ-WN display a metallic character. In terms of surface relaxation and reconstructions, most investigated surfaces experience mainly downward displacements of their topmost layers. Most notably, the relaxed Mo-termination in (111) and (100) surfaces of δ3-MoN demonstrate significant reconstructions resulted in the first layer to be solely truncated with nitrogen atoms instead of molybdenum in the un-relaxed geometry. Nevertheless, no surface reconstruction has been noticed in most of considered δ-WN configurations. Calculated Bader's electronic charges reveal charge transfer from Mo/W atoms to N atoms, largely retaining the ionic bond nature in their bulk phases. Finally, vacancy formation energy (VFE) calculations showed that introducing nitrogen vacancies through the surface is an endothermic process. Furthermore, the energy required to create a vacant cite in the inner layers differ than that needed in the outer layers. Nitrogen-terminated slabs hold the highest concentrations. Results from this study should be useful when studying the activation of doubly and triply bonded molecules such as N2 at surface vacancies.

Scopus Clarivate Crossref
View Publication
Publication Date
Tue Oct 30 2018
Journal Name
Iraqi Journal Of Physics
Influence of substrates on the properties of cerium -doped CdO nanocrystalline thin films
...Show More Authors

Transparent thin films of CdO:Ce has been deposited on to glass and silicon substrates by spray pyrolysis technique for various concentrations of cerium (2, 4, and 6 Vol.%). CdO:Ce films were characterized using different techniques such as X-ray diffraction (XRD), atomic force microscopy(AFM) and optical properties. XRD analysis show that CdO films exhibit cubic crystal structure with (1 1 1) preferred orientation and the intensity of the peak increases with increasing's of Ce contain when deposited films on glass substrate, while for silicon substrate, the intensity of peaks decreases, the results reveal that the grain size of the prepared thin film is approximately (73.75-109.88) nm various with increased of cerium content. With a sur

... Show More
View Publication Preview PDF
Crossref
Publication Date
Fri Apr 01 2022
Journal Name
Journal Of Engineering
Effect of Distributing Steel Fibers on Some Properties of Slurry Infiltrated Fiber Concrete
...Show More Authors

The slurry infiltrated fiber concrete (SIFCON) is nowadays considered a special type of high fiber content concrete; it is high strength and high performance material. This paper investigates the effect of spread steel fiber into the slurry mortar on some properties of SIFCON. According to fiber distribution, two sets were used in this investigation. The first set consisted of randomly distributing fibers inside the slurry. The second set was by placing the fibers in an orderly manner inside the slurry. Crimped steel fibers with an aspect ratio of (60) were used. Two different volume fractions percentage of (7% and 9%) by volume of mold were used in both sets for this study. Also, a w/c ratio of (0.35) and superplasticiz

... Show More
View Publication Preview PDF
Scopus (10)
Crossref (9)
Scopus Crossref
Publication Date
Tue Jan 01 2019
Journal Name
Aip Conference Proceedings
Nonlinear optical properties of liquid crystal doped with different concentrations of carbon nanotubes
...Show More Authors

View Publication
Scopus (9)
Crossref (7)
Scopus Clarivate Crossref
Publication Date
Fri Mar 01 2019
Journal Name
Spatial Statistics
Efficient Bayesian modeling of large lattice data using spectral properties of Laplacian matrix
...Show More Authors

Spatial data observed on a group of areal units is common in scientific applications. The usual hierarchical approach for modeling this kind of dataset is to introduce a spatial random effect with an autoregressive prior. However, the usual Markov chain Monte Carlo scheme for this hierarchical framework requires the spatial effects to be sampled from their full conditional posteriors one-by-one resulting in poor mixing. More importantly, it makes the model computationally inefficient for datasets with large number of units. In this article, we propose a Bayesian approach that uses the spectral structure of the adjacency to construct a low-rank expansion for modeling spatial dependence. We propose a pair of computationally efficient estimati

... Show More
View Publication
Scopus (10)
Crossref (7)
Scopus Clarivate Crossref
Publication Date
Sat Aug 02 2025
Journal Name
Engineering, Technology & Applied Science Research
Effect of Basalt Fiber on the Mechanical Properties of Sustainable Geopolymer Lightweight Concrete
...Show More Authors

Eco-friendly materials are increasingly used in civil engineering to support sustainable development. Conventional concrete relies heavily on Ordinary Portland Cement (OPC), the production of which contributes significantly to the carbon dioxide (CO₂) emissions. Ground Granulated Blast Furnace Slag (GGBFS) and fly ash can partially replace OPC, thereby reducing the environmental impact. This study investigates the effect of basalt fiber incorporation on the mechanical properties of geopolymer lightweight concrete. The concrete mixtures consisted of fly ash, slag, pumice aggregate, sand, and an alkaline activator prepared by combining sodium hydroxide and sodium silicate. The mix design included an activator-to-binder ratio of 0.45

... Show More
View Publication
Scopus (2)
Crossref (1)
Scopus Crossref
Publication Date
Wed Mar 08 2023
Journal Name
Journal Of Wasit For Science And Medicine
Study on physical properties of nanostructured ZnO prepared by pulse laser deposition
...Show More Authors

Zinc Oxide thin film of 2 μm thickness has been grown on glass substrate by pulsed laser deposition technique at substrate temperature of 500 oC under the vacuum pressure of 8×10-2 mbar. The optical properties concerning the absorption, and transmission spectra were studied for the prepared thin film. From the transmission spectra, the optical gap and linear refractive index of the ZnO thin film was determined. The structure of the ZnO thin film was tested with X-Ray diffraction and it was formed to be a polycrystalline with many peaks.

View Publication Preview PDF
Crossref
Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Geological Journal
Estimation of Petrophysical Properties for Zubair Reservoir in Abu-Amood Oil Field
...Show More Authors

The petrophysical analysis is significant to determine the parameters controlling the production wells and the reservoir quality. In this study, Using Interactive petrophysics software to analyze the petrophysical parameters of five wells penetrated the Zubair reservoir in the Abu-Amood field to evaluate a reservoir and search for hydrocarbon zones. The available logs data such as density, sonic, gamma ray, SP, neutron, and resistivity logs for wells AAm-1, AAm-2, AAm-3, AAm-4, and AAm-5 were used to determine the reservoir properties in Zubair reservoir. The density-neutron and neutron-sonic cross plots, which appear as lines with porosity scale ticks, are used to distinguish between the three main lithologies of sandstone, limesto

... Show More
View Publication Preview PDF
Crossref
Publication Date
Tue Jan 30 2024
Journal Name
Iraqi Journal Of Science
A Study of Drinking Water Properties in Some Hospitals in Baghdad City
...Show More Authors

One of the bigger problems in drinking water is disinfection by-products (DBPs) that come from chlorinated disinfection. This study’s goal was to evaluate the drinking water in Al-Yarmouk Teaching Hospital, Ibn Sina Hospital and Ibn-Al-Nafis Hospital.  Samples were collected between October 2018 and September 2019. Physical and chemical characteristics of the water were studied, including (temperature, hydrogen ion (pH), total dissolved solids (TDS), electrical conductivity (EC), turbidity, free residual chlorine, total organic carbon (TOC), total trihalomethanes (THMs), total halo acetic acid (THAAs)). Data analysis showed the highest value of study temperature, pH, TDS, EC, turbidity, free residual chlorine and TOC which was

... Show More
View Publication
Scopus (2)
Scopus Crossref
Publication Date
Mon Sep 30 2019
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Re-evaluation of Petro physical Properties in Yammama Formation at Nasiriya Field
...Show More Authors

Nasiriya field is located about 38 Km to the north – west of Nasiriya city. Yammama, a giant lower cretaceous reservoir in Nasiriya field which is lithologically formed from limestone. Yammama mainly was divided into three main reservoir units YA, YB1, YB2 and YB3 and it is separated by impermeable layers of variable thickness. An accurate petro physical evolution of the reservoir is of great importance perform an excellent geological model so that four petro physical properties which are shale volume, porosity, water saturation and permeability was re-evaluated. The volume of shale was calculated using the density and neutron logs (VSH-DN) rather than using gamma ray log because of presence a uranium content in the formation that make

... Show More
View Publication Preview PDF
Crossref (1)
Crossref
Publication Date
Mon Jul 17 2023
Journal Name
Aip Conference Proceedings
Calculation of modes properties for multimode optical fibers at 633 nm wavelength
...Show More Authors

View Publication
Scopus (3)
Crossref (1)
Scopus Crossref