Impact of Stone-Wales and lattice vacancy defects on the electro-thermal transport of the free standing structure of metallic ZGNR

We report the effect of topological as well as lattice vacancy defects on the electro-thermal transport properties of the metallic zigzag graphene nano ribbons at their ballistic limit. We employ the density function theory–Non equilibrium green’s function combination to calculate the transmission details. We then present an elaborated study considering the variation in the electrical current and the heat current transport with the change in temperature as well as the voltage gradient across the nano ribbons. The comparative analysis shows, that in the case of topological defects, such as the Stone-Wales defect, the electrical current transport is minimum. Besides, for the voltage gradient of 0.5 Volt and the temperature gradient of 300 K, the heat current transport reduces by \({\sim }62\,\%\) and \({\sim }50\,\%\) for the cases of Stones-Wales defect and lattice vacancy defect respectively, compared to that of the perfect one.     

Polyol surfactants derived from moringa seed oil for potential use in the pharmaceutical industry

Two polyol surfactants ((a) a crude product of 60% monoglyceride content and (b) a homogeneous sorbitan ester) have been prepared by alcoholysis from the not well known edible Moringa concanensis seed oil. These products constituted mainly oleic acid, which will be suitable for utilisation in the pharmaceutical industry. The optimum conditions of glycerolysis of the moringa seed oil have also been found.     

Estimation of power density in IMPATT using different materials

ABSTRACT

The RF output power dissipated per unit area is calculated using Runge-Kutta method for the high-moderate-moderate-high (n⁺-n-p-p⁺) doping profile of double drift region (DDR)-based impact avalanche transit time (IMPATT) diode by taking different substrate at Ka band. Those substrates are silicon, gallium arsenide, germanium, wurtzite gallium nitride, indium phosphide and 4H-silicon carbide. A comparative study regarding power dissipation ability by the IMPATT using different material is being presented thereby modelling the DDR IMPATT diode in a one-dimensional structure. The IMPATT based on 4H-SiC element has highest power density in the order of 10¹⁰ Wm^?2 and the Si-based counterpart has lowest power density of order 10⁶ Wm^?2 throughout the Ka band. So, 4H-SiC-based IMPATT should be preferable over others for the power density preference based application. This result will be helpful to estimate the power density of the IMPATT for any doping profile and to select the proper element for the optimum design of the IMPATT as far as power density is concerned in the Ka band. Also, we have focused on variation of power density with different junction temperatures and modelled the heat sink with analysis of thermal resistances.     

One pot synthesis of nano Ag in calcium alginate beads and its catalytic application in p‐Nitrophenol reduction with kinetic parameter estimation and model fitting

In this work, one step process of synthesis of silver nanoparticles (Agnp) embedded in insitu formed calcium alginate (CA) beads is stated. CA, formed from the reaction between sodium alginate and calcium hydroxide, acts as reducing and stabilizing agent as well as support for nanoparticles. The reaction mechanism for the formation and stabilization of Agnp is proposed where the vicinal dihydroxy groups of alginate are assumed to act as the reducing agent for Ag⁺ to Ag°. Transmission electron microscopy (TEM), x‐ray diffraction (XRD), UV‐vis spectroscopy, field emission scanning electron microscopy (FESEM), and atomic absorption spectroscopy (AAS) were used to characterize the Agnp. The formation of spherical nanoparticles with average size range of 4‐5 nm was confirmed by TEM. Catalytic activity of this nano silver‐calcium alginate (Agnp‐CA) composite was evaluated in the reduction of p‐nitrophenol. Concentrations of sodium alginate, calcium hydroxide, and AgNO₃ are found to be the parameters that critically affect the synthesis of Agnp. The efficacy of the catalyst is expressed on the basis of suitable reaction parameters. Both pseudo‐homogeneous and heterogeneous kinetic models are proposed for the reaction to find the best model and the Eley‐Riedel model is found to fit well with the experimental data. The novelty of this work is that the tandem process of CA bead formation, Agnp formation, and Agnp entrapment in CA have been transformed into a single‐step process. Moreover, elaborations of each step of the ionic mechanisms of Agnp formation and p‐NP reduction with Agnp and the establishment of a heterogeneous kinetic model for the reaction are reported for the first time here.     

Analysing the patterns of spatial contrast discontinuities in natural images for robust edge detection

Pattern Analysis and Applications - The pattern of spatial contrast discontinuities in natural images has been analysed in the present work, and based on it, a new adaptive model of the...     

Theoretical Investigation of Some High‐Performance Novel Amine Azide Propellants

Monomethylhydrazine (MMH) is currently the most widely used hypergolic propellant, due to its high performance and low ignition delay. However, its toxicity is a major concern. The present work aims at developing high‐performance hypergolic fuels that are based on tertiary amine azide functionality. A number of potential amine azide candidates have been proposed, and some of their physical and chemical properties have been computed using state‐of‐the‐art molecular modeling techniques. Gas‐phase heats of formation have been calculated using the CBS‐QB3 method, and the first‐principle COSMO‐RS method has been used to compute heats of vaporization and vapor pressures. A density correlation, based on molecular‐volume calculation, has been established to predict the densities of the candidate molecules. Finally, the liquid‐phase heats of formation and densities have been used to predict the specific and density impulses of the proposed candidate molecules. The results show that many of the molecules proposed here have much higher density impulse than that of MMH, and may be considered for experimental studies.     

Recovery,characterization and conceptual modelling of Non-Bituminous organic materials from oil sands

The hot water process has recovered approximately 90% of the bitumen in oil sands, but the remaining 10% of bitumen and naphtha has been lost to the tailings pond. Recovery of bitumen and non-bituminous combustibles (NBC) from centrifuge, scroll and final tailings has been considered. The effects of four sequestering agents, and of chemical additives such as CaCl₂ and FeCl₃ on the flotation behavior of bitumen, NBC and minerals in these tailings have been investigated. A simple method of isolating NBC materials has been developed. The flotation of both bitumen and NBC was enhanced by phosphate treatment and depressed by EDTA. NBC was characterized by its physical properties, energy content, functionality and chemical analysis. A conceptual model explains the interactions between the bitumen, minerals and NBC fractions present in tailings slurries.