Utilization of standardless analysis algorithms using WDXRF and XRD for Egyptian iron ore identification

On the basis of fundamental parameter approaches, the validity of standardless wavelength dispersive X‐ray fluorescence (WDXRF) and X‐ray powder diffraction algorithms was confirmed for analyzing Egyptian iron ore samples collected from two different locations, Aswan and Baharyia. The studied Egyptian iron ores represent different depositional environments and consequently exhibit variable mineralogical and chemical compositions. In the case of WDXRF analysis, the ground powders of iron ore samples were mixed and pressed with low contamination binder in a mass ratio of wax: sample = 4: 0.9 g at 120 kN cm^?2. A standardless method for quantitative WDXRF was employed, which requires accurate determination of the amount of organic material in the sample. On the basis of differential thermal analysis, a new method is introduced for the determination of loss of ignition. With the application of the proposed method and standardless quantitative analysis, results for 12 elements in iron ores were obtained: Fe, Mn, Mg, Si, Al, Ca, Na, K, S, Ba, Zn, and Cl. The reliability and precision of the adopted procedure were tested against a standard reference material ‘Iron ore concentrate (SRM 690, NIST, USA)’. The quantitative analysis results of the certified reference material were found acceptable. Depending on the WDXRF results, the powder samples were directly introduced to X‐ray powder diffraction goniometry, and the phase compositions were quantitatively determined by using a standardless analysis program based on Rietveld method. The main phases of all iron ore samples are the hematite and goethite, whereas other phases are found with varying ratios, namely quartz, nordstrandite, rhodochrosite, kaolinite, todorokit, bassanit, andydrite, and hydroxyapatite. Copyright © 2012 John Wiley & Sons, Ltd.     

Significance of Darcy-Forchheimer Porous Medium in Nanofluid Through Carbon Nanotubes

This article manages Darcy-Forchheimer 3D flow of water based carbon nanomaterial (CNTs). A bidirectional nonlinear stretchable surface has been utilized to make the flow. Disturbance in permeable space has been represented by Darcy Forchheimer (DF) expression. Heat transfer mechanism is explored through convective heating.Outcomes for SWCNT and MWCNT have been displayed and compared. The reduction of partial differential framework into nonlinear common differential framework is made through reasonable variables. Optimal series scheme is utilized for arrangements advancement of associated flow issue. Optimal homotopic solution expressions for velocities and temperature are studied through graphs by considering various estimations of physical variables. Moreover surface drag coefficients and heat transfer rate are analyzed through plots.     

First principle calculation of the electronic and magnetic properties of Mn-doped 6H-SiC

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using GGA formalism. Various configurations of Mn sites were considered. It was found that 6H-SiC doped with Mn atoms possess a moment for both types of substitution. The Mn atom at Si site possesses larger magnetic moment than Mn atom at C site. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined and the calculated densities of states (DOSs) are used to analyse the different value of the magnetic moments for different types of substitution. A model that explains the magnetic moment at Mn site is proposed.     

NMR Spectrometric Analysis of Antazoline

An analytical method is described for the analysis of antazoline [2-(N-benzylanilinomethyl) imidazoline] using pmr. The procedure provides good quantitative results together with a very specific mean for identification of antazoline     

Growth and characterization of L-phenylalanine nitric acid (LPN) and tris L-(phenylalanine)-phenylalanininum nitrate (TPLPN) as second and third order nonlinear optical materials

We synthesized noncentrosymmetric single crystals of L-phenylalanine nitrate (LPN) and tris L-(phenylalanine) L-phenylalaninium nitrate (TPLPN) by slow solvent evaporation technique. Both crystallized in monoclinic system with different acentric space groups namely P2₁ (LPN) and C2 (TPLPN) respectively. The IR and Raman spectral investigation was done for LPN and TPLPN and discussed. The UV-vis-studies accomplished the excitation wavelength of the grown crystals suitable to exhibit second harmonic generation signal. From the absorption data, remarkable optical properties such as direct band gap energy, Urbach energy, extinction coefficient were evaluated. The mechanical strength of the grown crystal was examined by Vickers micro hardness test. The temperature of decomposition was confirmed by TG/DSC analysis. Fluorescence emission spectrum of LPN and TPLPN were recorded and lifetime was also studied. The dielectric constant and dielectric loss of LPN and TPLPN has been determined as a function of frequency and temperature. Also the surface topologies of the crystallized salts were assessed by SEM studies. The third-order nonlinearities of LPN and TPLPN were determined by Z-scan technique with Nd: YAG at 532?nm and thereby from closed and open Z-scan data, third-order susceptibilities were calculated to be χ⁽³⁾?=?8.826?×?10^?6 esu for LPN and χ⁽³⁾?=?2.552?×?10^?7 esu for TPLPN.     

UV protection filters by dielectric multilayer thin films on Glass BK-7 and Infrasil 301

The increasing use of Ultraviolet (UV) light in medicine, industrial environments, for cosmetic use, and even in consumer products necessitates that greater attention be paid to the potential hazards of this type of electromagnetic radiation. To avoid any adverse effects of exposure to this type of radiation, four suitable protection filters were produced to block three UV bands (UVA, UVB, and UVC). The design structure of the required dielectric multilayer filters was done by optical thin film technology using the absorbing property of UV radiation for the substrates and dielectric materials. The computer analyses of the multilayer filter formulas were prepared using Macleod Software for the production processes. The deposition technique was achieved on optical substrates (Glass BK-7 and Infrasil 301) by dielectric material combinations including Titanium dioxide (Ti₂O₃), Hafnium dioxide (HfO₂), and Lima (mixture of oxides SiO₂/Al₂O₃); deposition being achieved using an electron beam gun. The output results of the theoretical and experimental transmittance values for spectral band from 200 nm to 800 nm were discussed in four processes. To analyze the suitability for use in ‘real world’ applications, the test pieces were subjected to the durability tests (adhesion, abrasion resistance, and humidity) according to Military Standard MIL-C-675C and MIL-C-48497A.     

Stabilities,electronic and magnetic properties of Cu-doped nickel clusters: a DFT investigation

In this paper, we investigate the electronic and magnetic properties of Cu-doped nickel clusters by means of density functional theory. The stabilities of these clusters have also been studied in terms of the binding energies, second-order difference of energies, fragmentation energies and HOMO–LUMO energy gaps. The obtained results reveal that the N₄Cu, N₅Cu and Ni₇Cu clusters are found to be more stable that than all other clusters. Higher HOMO–LUMO gap was observed for Ni₅Cu cluster (2.265 eV), indicating its higher chemical stability. A half-metallic behaviour has also been observed for the Ni_nCu clusters, which suggests that these clusters can be employed as nanocatalysts for several catalytic processes, particularly for hydrogenation and dehydrogenation reactions. The magnetism calculations show that the magnetic moment is mostly located on the Ni atoms, and the contribution of the Cu atom to the total magnetic moment in the Ni_nCu clusters is very small. Furthermore, partial density of states analysis indicates that the 3d orbitals in Ni atoms are mostly responsible for the magnetic behaviour of these clusters, and the s orbitals have a very little contribution to the total magnetic moment.     

The hyperconjugation effect on the graphene counterparts based on silicon and germanium

Bending of the A = A (A of the group IVA) double bond neighboring is rationalized by the hyperconjugation phenomenon analysis. The bending is also observed for the high sized linear, cyclic or graphene-like compounds that imply the conjugated double bonds. The electronic delocalization takes place between occupied σ(π) and unoccupied π*(σ*) orbitals especially for compound implying Si and Ge atoms. Leading to rippled structure, this phenomenon affects the silicene and germane thickness sheets and probably would have some consequences on the properties of such compounds when they will be involved in the industries in the future. However we introduce a new parameter to assess the thickness of graphenic structures when the hyperconjugation takes place in the bonding framework. The study has been undertaken at high levels of theory like B3LYP/6-311 + G(3df,2p).