Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have stronger directional bonds that in their bulk structure. The surface states are found to be mostly non-degenerated because of the effect of surface discontinuity and the existence of oxygen atoms. Valence and conduction bands are found to be wider on the surface due to the splitting of energy levels due to the existence of oxygen atoms. The present method can be used to investigate the electronic structure of bulk, surface and nanocrystals.
Chaotic systems have been proved to be useful and effective for cryptography. Through this work, a new Feistel cipher depend upon chaos systems and Feistel network structure with dynamic secret key size according to the message size have been proposed. Compared with the classical traditional ciphers like Feistel-based structure ciphers, Data Encryption Standards (DES), is the common example of Feistel-based ciphers, the process of confusion and diffusion, will contains the dynamical permutation choice boxes, dynamical substitution choice boxes, which will be generated once and hence, considered static,
While using chaotic maps, in the suggested system, called
Banks represents financial institutions that influence the economy of any country and their evolution and development is the need to seek all states , communities, maintain and control a guarantee of the beneficiaries investors and to promote confidence, so the specialized organizations trying to set principles and rules must be adhered to and are Basel (II) of the necessary effects to be introduced and work on their application. Banks exposed by various risks one of them operational risks that have multiple effects on the activity of the institution itself, as well as the national economy, so this study was to find out what those effects and to find solutions and appropriate proposals to avoid Iraqi banks from the effects of risk,
... Show MoreThe study is devoted to both static and earthquake response analysis of retaining structures acted upon by lateral earth pressure. Two main approaches were implemented in the analysis, namely, the Mononobe-Okabe analytical method and the numerical Finite element procedure as provided in the ready software ABAQUS with explicit dynamic method. A basic case study considered in the present work is the bridge approach retaining walls as a part of AL-Jadiriya bridge intersection to obtain the effects of the backfill and the ground water on the retaining wall response including displacement of the retaining structure in addition to the behavior of the fill material. Parametric studies were carried out to evaluate the effects of several factors
... Show MoreThe ground state proton, neutron and matter densities, the corresponding rms radii and charge form factors of a dripline nuclei 6He, 11Li, 12Be and 14Be have been studied via a three–body model of (Core + n + n). The core–neutron interaction takes the form of Woods-Saxon (WS) potential. The two valence neutrons of 6He, 11Li and 12Be interact by the realistic interaction of ZBMII while those of 14Be interact via the realistic interaction of VPNP. The core and valence (halo) density distributions are described by the single-particle wave functions of the WS potential. The calculated results are discussed and compared with the experimental data. The long tail performance is clearly noticed in the calculated neutron and matter density distr
... Show MoreThis research attempts to investigate narrative structure in oral narrative particularly in Oprah's Show from a sociolinguistic viewpoint. Narrative is said to be universal in the sense that it is found in all times and places. There is no society or culture without narrative. Oral narrative is organized in a specific order. The research aims at studying and analyzing this order. In addition to that, it highlights the importance of narrative in conveying some moral messages to people who are listening to the story. The study is divided into two parts; theoretical and practical. The theoretical part draws on presenting a survey of literature which includes definitions and explanations of some related terms. The practical part is concerned
... Show MoreDensity Functional Theory (DFT) at the B3LYP/6-311G basis set level was performed on six new substituted Schiff base derivatives of PINH [(phenylallylidene) isonicotinohydrazide], The calculated quantum chemical parameters correlated to the inhibition efficiency are EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap [ΔE(HOMO-LUMO)], hardness (η), softness (S), dipole moment (μ), electron affinity (EA), ionization potential (IE), the absolute electronegativity (χ), Global electrophilicity index ( ) and the fraction of electron transferred (ΔN), all have discussed at their equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of inhibition effi
... Show MoreThis study aimed to identify the changes in total protein in saliva and sera samples of patients with oral squamous cell carcinoma in comparison to those of healthy controls. These changes were followed using electrophoresis (PAGE). Meanwhile, determinations of albumin, globulin and albumin to globulin ratio were carried out on sera samples only.Two groups were the participants in the present study, 18 patients with Oral Squamous Cell Carcinoma (OSCC), and 20 ages and gender matched healthy controls.
Dictyostelium discoideum amoeba is a powerful system to study gene function through genetic and functional analysis. Paracaspase (Pcp) is a caspase-like protein that has recently identified in D. discoideum. Study paracaspase molecular function in Dictyostelium will provide insight into its cellular role in more complex organisms and the possibility to use it as a drug target against the parasitic amoeba. In this study, pcp was tagged with Green Fluorescent Protein (GFP) and over-expressed in the cell. The knockout version of pcp (pcp-) was also investigated. In the course of our examination, it was observed that cells overexpress Pcp was unable to complete the developmental process, leading us to examine its role in development. Those c
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