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Geometries, electronic properties and stability of molybdenum and tungsten nitrides low-index surfaces
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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.

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Publication Date
Fri Apr 01 2022
Journal Name
Baghdad Science Journal
Spectral Behaviour of the low concentrations of Coumarin 334 with Broadband Cavity Enhanced Absorption Spectroscopy
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The current research is a spectroscopic study of Coumarin 334 dissolved in methanol. The range of concentrations of the prepared stock solution was (3.39x10-9 to 2.03x10-8) M. Some optical characteristics of this dye were investigated such as absorbance and transmission spectra, absorption coefficient, refractive and extinction coefficients, oscillation and dispersion energies, and energy band gap. The absorbance spectra were recorded at 452 nm using Broad Band Cavity Enhanced Absorption Spectroscopy (BBCEAS) which depends on increasing the path length of the traveling light from the source to the detector. The minimum absorbance amount was 0.07 with a low concentration of 3.39x10-9 M. As a result, the ot

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Publication Date
Fri Feb 28 2025
Journal Name
Iraqi Geological Journal
Assessing Acid Fracturing for Low-Permeability Carbonate Formation to Improve Oil Production
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This study investigates the application of hydraulic acid fracturing to enhance oil production in the Mishrif Formation of the Al-Fakkah oilfield due to declining flow rates and wellhead pressures resulting from asphaltene deposition and inadequate permeability. Implementing acid fracturing, an established technique for low-permeability carbonate reserves, was essential due to the inadequacy of prior solvent cleaning and acidizing efforts. The document outlines the protocols established prior to and following the treatment, emphasizing the importance of careful oversight to guarantee safety and efficacy. In the MiniFrac treatment, 150 barrels of #30 cross-linked gel were injected at 25 barrels per minute, followed by an overflush wi

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Publication Date
Wed Dec 15 2004
Journal Name
Iraqi Journal Of Laser
Low Power He:Ne Laser Radiation in Killing Photosensitized Helicobacter pylori in Vitro
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Four photosensitizers were used to test inhibitory effect of Helicobacter pylori bacteria using
low power helium: neon red laser radiation. Biopsies were collected from 176 patients and H. pylori were
isolated, identified and bacterial suspension was prepared. Samples of this suspension were mixed with
various low concentrations of the test sensitizer. The mixture samples were exposed to different laser
radiation doses. The samples were then inoculated and the inhibition zones were studied and compared
with their analogues of control samples. The most effective sensitizer with optimum concentration and
irradiation dose was determined. Statistical analysis of results was performed. The sensitizers' toluidine
blue and

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Publication Date
Fri Feb 28 2025
Journal Name
The Iraqi Geological Journal
Assessing Acid Fracturing for Low-Permeability Carbonate Formation to Improve Oil Production
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This study investigates the application of hydraulic acid fracturing to enhance oil production in the Mishrif Formation of the Al-Fakkah oilfield due to declining flow rates and wellhead pressures resulting from asphaltene deposition and inadequate permeability. Implementing acid fracturing, an established technique for low-permeability carbonate reserves, was essential due to the inadequacy of prior solvent cleaning and acidizing efforts. The document outlines the protocols established prior to and following the treatment, emphasizing the importance of careful oversight to guarantee safety and efficacy. In the MiniFrac treatment, 150 barrels of #30 cross-linked gel were injected at 25 barrels per minute, followed by an overflush wi

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Publication Date
Fri May 01 2020
Journal Name
Journal Of Physics: Conference Series
Determination the optimum orbit for low Earth satellites by changing the eccentricity
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Abstract<p>The main objective of this paper is to determine an acceptable value of eccentricity for the satellites in a Low Earth Orbit LEO that are affected by drag perturbation only. The method of converting the orbital elements into state vectors was presented. Perturbed equation of motion was numerically integrated using 4<sup>th</sup> order Runge-Kutta’s method and the perturbation in orbital elements for different altitudes and eccentricities were tested and analysed during 84.23 days. The results indicated to the value of semi major axis and eccentricity at altitude 200 km and eccentricity 0.001are more stable. As well, at altitude 600 km and eccentricity 0.01, but at 800 km a</p> ... Show More
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Publication Date
Sat Jun 29 2013
Journal Name
Wireless Personal Communications
A Low Cost Route Optimization Scheme for Cluster-Based Proxy MIPv6 Protocol
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Publication Date
Wed Jan 10 2024
Journal Name
Annals Of Applied Sport Science
The Effect of an Electronic Device Designed to Measure the Knee Bending Angle in Developing the Skill of Catch and Clearance the High Ball for Football Goalkeepers
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Background. The use of modern aids and technology has contributed greatly to football development, the goalkeeper is the most important position in the team, and the use of devices gave objective readings about the goalkeeper's ability in terms of skill and physical aspects. Objectives. The research aimed to prepare exercises using an electronic device to measure the knee bending angle because of its great importance in developing the skill of catching and dimensions of the high ball for football goalkeepers. Methods. The researchers used the experimental method, and the sample consisted of (4) male goalkeepers under 15 years of age, one of the research procedures was to determine the biomechanical variables affecting the development of the

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Publication Date
Wed May 02 2018
Journal Name
Chempluschem
The Oxidation of Peroxide by Disordered Metal Oxides: A Measurement of Thermodynamic Stability “By Proxy”
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It is often noted that disordered materials have different chemical properties to their more “ordered” cousins. Quantifying these effects in terms of thermodynamics is challenging in part because disordered materials can be difficult to characterize and are frequently relatively unstable. During the course of our experiments to understand the effects of disorder in catalysts for water oxidation we observed that many disordered manganese and cobalt oxide water oxidation catalysts directly oxidized peroxide in contrast to their more ordered analogues which catalyzed its disproportionation, that is, MnO2+2H+ +H2O2! Mn2+ +2H2O+O2(oxidation) versus H2O2!H2O+1=2 O2(disproportionation). By measuring the efficiency for one reaction over the oth

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Publication Date
Sun Mar 01 2009
Journal Name
Diyala Journal Of Human Research
Stability of the Finite Difference Methods of Fractional Partial Differential Equations Using Fourier Series Approach
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The fractional order partial differential equations (FPDEs) are generalizations of classical partial differential equations (PDEs). In this paper we examine the stability of the explicit and implicit finite difference methods to solve the initial-boundary value problem of the hyperbolic for one-sided and two sided fractional order partial differential equations (FPDEs). The stability (and convergence) result of this problem is discussed by using the Fourier series method (Von Neumanns Method).

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Publication Date
Sat Sep 30 2023
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Auditing the comprehensive electronic banking system to detect operational business risks (applied research)
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Abstract:

                In light of the development in the banking environment and the increasing reliance on electronic systems in providing banking services and due to the intense competition witnessed by the banking sector, the need has emerged to apply the comprehensive electronic banking system, which works on the Internet in providing new and diverse banking services regardless of time and place by linking all branches to one central database, and despite the advantages achieved from the application of the comprehensive system, there is a set of risks that accompany the use of that system, What requires the auditors to develop the audit method in line with the size of the development in the

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