This contribution aims to investigate volume-dependent thermal and mechanical properties of the two most studied phases of molybdenum nitride (c-MoN and h-MoN) by means of the quasi-harmonic approximation approach (QHA) via first-principles calculations up to their melting point and a pressure of 12 GPa. Lattice constants, band gaps, and bulk modulus at 0 K match corresponding experimental measurements well. Calculated Bader’s charges indicate that Mo–N bonds exhibit a more ionic nature in the cubic MoN phase. Based on estimated Gibbs free energies, the cubic phase presents thermodynamic stability higher than that detected for hexagonl, with no phase transition observed in the selected T–P conditions as detected experimentally. The elastic stiffness coefficients of MoN in hexagonal structure revealed that it is stable elastically; in contrast to the cubic structure. The temperature dependence on the bulk modulus is more profound on the dense cubic phase than on the hexagonal phase. Overall, the two considered structures of molybdenum nitride display very minimal harmonic effects, evidenced by the slight variation of thermal and mechanical properties with the increase of pressure and temperature. The optical conductivity of both phases near a zero photon energy coincides well with their metallic character inferred by their corresponding DOS curves. It is expected that the thermo-elastic properties of saturated molybdenum nitrides reported in this study will aid in the continuous pursuit to enhance their catalytic and mechanical utilizations.
The dental amalgam of radioactive materials in the restoration of teeth because of its readily adaptable to existing materials in the oral cavity in addition to mechanical properties such as hardness mechanical resistance Alndgat and others in this study were prepared Almlagm used Guy dental restoration of silver alloy tin plus some elements to improve the characteristicsmechanical such as copper, zinc or indium in addition to mercury
In this paper, A.C conductivity of micro and nano grain size- TiO2 filled epoxy composites is measured. The dielectric material used is epoxy resin, while micro and nano-sized titanium dioxide (TiO2) of grain size (1.5μm, and 50nm) was used as filler at low filler concentrations by weight (3%, and 5%). Additionally the effect of annealing temperature range (293-373)º K and at a frequency range of 102-106 Hz on the A.C conductivity of the various specimens was studied.
The result of real permittivity for micro and nanocomposite show that the real permittivity increases with decreasing frequency at range of 102-106Hz. The micron-filled material has a higher real relative permittivity than the nano-filled this is true at all the temper
Polyimide/MWCNTs nanocomposites have been fabricated by solution mixing process. In the present study, we have investigated electrical conductivity and dielectric properties of PI/MWCNT nanocomposites in frequency range of 1 kHz to 100 kHz at different MWCNTs concentrations from 0 wt.% to 15 wt.%. It has been observed that the electrical conductivity and dielectric constants are enhanced significantly by several orders of magnitude up to 15 wt.% of MWCNTs content. The electrical conductivity increases as the frequency is increased, which can be attributed to high dislocation density near the interface. The rapid increase in the dielectric constant at a high MWCNTs content can be explained by the form
A new family of distribution named Double-Exponential-X family is proposed. The proposed family is generated from the double exponential distribution. The forms of the probability densities and hazard functions of two distinct subfamilies of the proposed family are examined and reported. Generalproperties such as moment, survival, order statistics, probability weighted moments and quartile functions of the models are investigated. A sub family of the developed family of double –Exponential-X family of the distribution known as double-Exponential-Pareto distribution was used to fit a real life data on the use of antiretroviral drugs. Molecular simulation of efficacy of antiretroviral drugs is conducted to evaluate the performance of the
... Show MoreBackground: Moringa peregrina is widely used in the traditional medicine of the Arabian Peninsula to treat various ailments, because it has many pharmacologically active components with several therapeutic effects. Objective: This study aimed to investigate the inhibitory effect of Moringa peregrina seed ethanolic extract (MPSE) against key enzymes involved in human pathologies, such as angiogenesis (thymidine phosphorylase), diabetes (α-glucosidase), and idiopathic intracranial hypertension (carbonic anhydrase). In addition, the anticancer properties were tested against the SH-SY5Y(human neuroblastoma). Results: MPSE extract significantly inhibited α-glucosidase, thymidine phosphorylase, and carbonic anhydrase with half-maximal i
... Show MoreThe synthesis of conducting polyaniline (PANI) nanocomposites containing various concentrations of functionalized single-walled carbon nanotubes (f-SWCNT) were synthesized by in situ polymerization of aniline monomer. The morphological and electrical properties of pure PANI and PANI/SWCNT nanocomposites were examined by using Fourier transform- infrared spectroscopy (FTIR), and Atomic Force Microscopy (AFM) respectively. The FTIR shows the aniline monomers were polymerized on the surface of SWCNTs, depending on the -* electron interaction between aniline monomers and SWCNTs. AFM analysis showed increasing in the roughness with increasing SWCNT content. The AC, DC electrical conductivities of pure PANI and PANI/SWCNT nanocomposite h
... Show MoreGallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d) level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å) is within this distribu
... Show MoreThe main purpose of this work is the construction of an optical parametric amplifier (OPA) to generate a 629 nm pulsed laser. KTP nonlinear crystals were used for both parametric oscillation and amplification. A singly resonant parametric oscillator (OPO) is constructed to generate a signal of 1.54 μm and idler of 3.4 μm when the OPO system is pumped by 1.064 μm Q – switched Nd: YAG laser. The signal was then mixed with the pumping beam in OPA system to form the wanted wavelength. The obtained optical conversion efficiency was 60%.
Femtosecond laser pulse propagation in monomode optical fibers is demonstrated and investigated numerically (by simulations) and experimentally in this paper. A passively mode locked Nd:glass laser giving a pulse duration of about 200 fsec at 1053 nm wavelength and 120 mW average optical power with 100 MHz repetition rate is used in the experimental work. Numerical simulations are done by solving the nonlinear Schrödinger equation with the aid of Matlab program. The results show that self phase modulation (SPM) leads to compression of the spectral width from 5 nm to 2.1 nm after propagation of different optical powers (34, 43, 86 and 120 mW) in fibers of different length (5, 15, 35 m). The varying optical powers produced a varying
... Show MoreIn this investigation, water-soluble N-Acetyl Cysteine Capped-Cadmium Telluride QDs (NAC/CdTe nanocrystals), utilizing N-acetyl cysteine as a stabilizer, were prepared to assess their potential in differentiating between DNA extracted from pathogenic bacteria (e.g. Escherichia coli isolated from urine specimen) and intact DNA (extracted from blood of healthy individuals) for biomedical sensing prospective. Following the optical characterization of the synthesized QDs, the XRD analysis illustrated the construction of NAC-CdTe-QDs with a grain size of 7.1 nm. The prepared NAC-CdTe-QDs exhibited higher PL emission features at of 550 nm and UV-Vis absorption peak at 300 nm. Additionally, the energy gap quantified via PL and UV–Vis were 2.2 eV
... Show More