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.
Broyden update is one of the one-rank updates which solves the unconstrained optimization problem but this update does not guarantee the positive definite and the symmetric property of Hessian matrix.
In this paper the guarantee of positive definite and symmetric property for the Hessian matrix will be established by updating the vector which represents the difference between the next gradient and the current gradient of the objective function assumed to be twice continuous and differentiable .Numerical results are reported to compare the proposed method with the Broyden method under standard problems.
Like the digital watermark, which has been highlighted in previous studies, the quantum watermark aims to protect the copyright of any image and to validate its ownership using visible or invisible logos embedded in the cover image. In this paper, we propose a method to include an image logo in a cover image based on quantum fields, where a certain amount of texture is encapsulated to encode the logo image before it is included in the cover image. The method also involves transforming wavelets such as Haar base transformation and geometric transformation. These combination methods achieve a high degree of security and robustness for watermarking technology. The digital results obtained from the experiment show that the values of Peak Sig
... Show MoreThis work deals with the separation of benzene and toluene from a BTX fraction. The separation was carried out using adsorption by molecular sieve zeolite 13X in a fixed bed. The concentration of benzene and toluene in the influent streams was measured using gas chromatography. The effect of flow rate in the range 0.77 – 2.0 cm3/min on the benzene and toluene extraction from BTX fraction was studied. The flow rate increasing decreases the breakthrough and saturation times. The effect of bed height in the range 31.6 – 63.3 cm on benzene and toluene adsorption from BTX fraction was studied. The increase of bed height increasing increases the break point values. The effect of the concentration of benzene in the range 0.0559 – 0.2625g/
... Show MoreThe study aims at showing the role of tax audit in Impact the quality of tax statements. Tax audit is one of the most important means used by tax management to identify taxable revenues in a just, fair manner. The quality of statements relies on the extent to which the information provided by taxpayers is true and accurate. Tax audit works is compatible with the strategy of increasing tax adherence and detecting non-adherence cases and penalizing those who commit such violations. The study reached a number of results and conclusions. One of the most important results is that tax audit helps improve the information content of the taxpayers tax statements. This leads to recalculating taxable incomes and re-fixing t
... Show MoreIn this paper, an algorithm through which we can embed more data than the
regular methods under spatial domain is introduced. We compressed the secret data
using Huffman coding and then this compressed data is embedded using laplacian
sharpening method.
We used Laplace filters to determine the effective hiding places, then based on
threshold value we found the places with the highest values acquired from these filters
for embedding the watermark. In this work our aim is increasing the capacity of
information which is to be embedded by using Huffman code and at the same time
increasing the security of the algorithm by hiding data in the places that have highest
values of edges and less noticeable.
The perform
Let be a commutative ring with identity. The aim of this paper is introduce the notion of a pseudo primary-2-absorbing submodule as generalization of 2-absorbing submodule and a pseudo-2-absorbing submodules. A proper submodule of an -module is called pseudo primary-2-absorbing if whenever , for , , implies that either or or . Many basic properties, examples and characterizations of these concepts are given. Furthermore, characterizations of pseudo primary-2-absorbing submodules in some classes of modules are introduced. Moreover, the behavior of a pseudo primary-2-absorbing submodul
... Show MoreBackground: Leukemias and lymphomas are malignant disorders that occur in the blood forming organs and lymphoid tissue respectively. They are classified to types and several subtypes such as acute or chronic, lymphocytic or myelocytic and T-cell or B-cell lymphocytic for leukemias and histologically into Hodgkin’s and Non-Hodgkin’s for lymphomas. Literatures do not contain many research work on magnesium in patients with these disorders, although this mineral is essential for many metabolic, enzymic, regulatory and immune reactions in the human body. Therefore, the present study was aimed to evaluate the level of magnesium in the sera of patients with different types of leukemia and lymphoma.
Patients
Credit card fraud has become an increasing problem due to the growing reliance on electronic payment systems and technological advances that have improved fraud techniques. Numerous financial institutions are looking for the best ways to leverage technological advancements to provide better services to their end users, and researchers used various protection methods to provide security and privacy for credit cards. Therefore, it is necessary to identify the challenges and the proposed solutions to address them. This review provides an overview of the most recent research on the detection of fraudulent credit card transactions to protect those transactions from tampering or improper use, which includes imbalance classes, c
... Show MoreWhen images are customized to identify changes that have occurred using techniques such as spectral signature, which can be used to extract features, they can be of great value. In this paper, it was proposed to use the spectral signature to extract information from satellite images and then classify them into four categories. Here it is based on a set of data from the Kaggle satellite imagery website that represents different categories such as clouds, deserts, water, and green areas. After preprocessing these images, the data is transformed into a spectral signature using the Fast Fourier Transform (FFT) algorithm. Then the data of each image is reduced by selecting the top 20 features and transforming them from a two-dimensiona
... Show MoreAn excellent reputation earned by initiating and practicing sustainable business practices has additional benefits, of which are reducing environmental incidents and an improvement in operational efficiency as this has the potential to help firms improve on productivity and bring down operating costs. Taken further, with ever-increasing socially and environmentally-conscious investors and the public alike, this act of natural resources management could have a significant implication on market value and income of the practicing firms.
The above proposition has been supported by sustainable business practices literature that is continuously conversing and deliberating upon the impact of efficient resource d
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