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.
In the current study, the definition of mapping of fuzzy neutrosophic generalized semi-continuous and fuzzy neutrosophic alpha has generalized mapping as continuous. The study confirmed some theorems regarding such a concept. In the following, it has been found relationships among fuzzy neutrosophic alpha generalized mapping as continuous, fuzzy neutrosophic mapping as continuous, fuzzy neutrosophic alpha mapping as continuous, fuzzy neutrosophic generalized semi mapping as continuous, fuzzy neutrosophic pre mapping as continuous and fuzzy neutrosophic γ mapping as continuous.
Four Se70Ge20Sb10 alloy samples were prepared using the melt quenching technique. To improve the energy states of the mobility gap, the samples were exposed to gamma radiation from 60Co source at various doses of 600, 1200, 1500, and 2000 Gy. The electrical characteristics were examined both before and after irradiation. The conductivity analysis revealed that all of our samples were impacted by gamma radiation. The reorganization of the amorphous lattice and the degree of radiation-induced disorder have been involved in the changes that occurred in the electrical characteristics of the irradiated samples. All irradiated and non-irradiated samples feature three conduction mechanisms at low temperatures, where the electrical conducti
... Show MoreThe importance of specifying proper aggregate grading for achieving satisfactory performance in pavement applications has long been recognized. To improve the specifications for superior performance, there is a need to understand how differences in aggregate gradations within the acceptable limits may affect unbound aggregate base behavior. The effects of gradation on strength, modulus, and deformation characteristics of high-quality crushed rock base materials are described here. Two crushed rock types commonly used in constructing heavy-duty granular base layers in the State of Victoria, Australia, with three different gradations each were used in this study. The gradations used represent the lower, medium, and upper gradation li
... Show MoreMauddud formation is one of the most prominent formations in Northeastern Iraq due to its significant hydrocarbon reserves, making accurate geomechanical characterization essential for safe drilling operations and informed development planning. This study constructs a calibrated post-drill one dimensional mechanical earth model (1D-MEM) for selected wells, levering Techlog software to integrate rock mechanical data, image logs, multi-arm caliper measurements, conventional well logs, drilling reports, and core analyses. The methodology provides a detailed workflow for estimating geomechanical properties from log and image analysis to model calibration. Validation of the 1-D MEM performed through cross-comparison with direct me
... Show MoreThe thin films of SnO2,SnO2:TiO2 , SnO2:MoO3 , SnO2:WO3 , SnO2:Cr2O3 , and SnO2: Fe2O3 were prepared by pulsed laser deposition technique using (Nd:YAG) laser of λ=1064 nm average frequency (6) Hz and pulse duration (10 ns) under vacuum of 10 -2 mbar)deposited on glass, n-Si single crystals substrate room temperature with thickness of (100±10) nm. The structures of pure SnO2 and ,SnO2:TiO2 , SnO2:MoO3 , SnO2:WO3 , SnO2:Cr2O3 , SnO2:Co3O4 compounds were studied by X–ray diffraction .the results showed that there was red shift accompanied addition of MoO3 and TiO2 while a blue shift accompanied the addition of WoO3 , Cr2O3 , Fe2O3 to tin oxide . The gas sensing measurements of NO2 gas showed that S
... Show MoreCocrystallization is an emerging approach for improving physico-chemical characteristics of an active pharmaceutical ingredient (API) for instance dissolution rate, solubility, stability in addition to mechanical properties without affecting their therapeutic activity. It is of great importance when other approaches like salt or polymorph formation do not encounter the estimated targets. In this review article, an outline of pharmaceutical cocrystals will be presented, with highlighting on factors affecting cocrystallization which include ∆pKa, donors and acceptors hydrogen bonds, molecular recognition point, synthon forming functional groups flexibility, dicarboxylic acid coformers carbon chain length and solvent effe
... Show MoreObjective Advantageous properties of silicone elastomer made it one of the favorable materials in maxillofacial prosthesis construction, but these properties may change after months of usage or after pigments addition. This study aimed to define the optimum concentration for a mixture of two types of intrinsic pigments that added to VST-50 maxillofacial silicone material and study their effects on mechanical properties before and after artificial aging. Methods After the pilot study was conducted, 0.1% by weight of rayon flocking and 0. 2% by weight of burnt sienna intrinsic pigment concentration was selected because of improvement in tested mechanical properties of VST-50 maxillofacial silicone. A total of one hundred and eighty samples we
... Show MoreThis study was aimed to study the effect of adding transglutaminase (TGase) on the mechanical and reservation properties of the edible films manufactured from soybean meal protein isolate (SPI) and whey protein isolate(WPI). The results showed an improvement in the properties with increase in the WPI ratios. Thickness of the SPI films amounted 0.097 mm decreased to 0.096 mm for the WPI: SPI films at a ratio of 2:1, when TGase was added decreased to 0.075 mm. While the tensile strength increased from 7.64 MPa for SPI films to eight MPa for the WPI: SPI films at a ratio of 2:1, when TGase was added increased to 11.04 MPa. Also, the elongation of the WPI: SPI films at a ratio of 2:1 presence of the TGase decreased to 40.6% compared wit
... Show MorePurepolyaniline and doped with hydrochloric acid was prepared in different molarities at room temperature. The a.c electrical properties were stadied.AC conductivityσac (ω), is found to vary as ωS in the frequency range (100Hz-10MH), S< 1and decreases indicating a dominate hopping process. Thedielectric constant ε1and dielectric loss ε2 have been determined for bulk polyaniline. ε1 decrease with the increase frequency. Electrical conductivity measurements increase with the increases both of the amount of HCl and the dose of radiation. The dielectric investigations show decrease with dose radiation.