Model for dynamics of inhomogeneous and bulk fluids

An accurate model for the density of states (DOS) for strongly inhomogeneous and bulk fluids has been proposed based on gamma distributions. The contribution to the density of states from the collective dynamics is modeled as an incomplete gamma distribution and the high frequency region is obtained from the solution of the memory equation using a sech memory kernel. Using only the frequency moments as input, the model parameters for the collective dynamics are obtained by matching moments of the resulting distribution. The model results in an analytical expression for the self-diffusivity of the fluid. We present results for soft sphere fluids confined in slit-shaped pores as well as bulk soft sphere liquids. Comparisons of the DOS, velocity autocorrelation functions, and memory kernels with molecular dynamics simulations reveal that the model predicts features in the DOS over the entire frequency range and is able to capture changes in the DOS as a function of fluid density and temperature. As a result the predicted VACFs, memory kernels, and self-diffusivities are accurately predicted over a wide range of conditions. Since the frequency moments for bulk liquids can be obtained from pair correlation functions, our method provides a direct route from fluid structure to dynamics. For fluids confined in slit-shaped pores, where the frequency moments are obtained from molecular dynamics simulations, the predicted self-diffusivities capture the resulting oscillations due to variations in the solvation pressure, and in the case of smooth walled pores, the predictions are superior to those obtained using kinetic theory.     

Anti-biofouling properties of comblike block copolymers with amphiphilic side chains

Surfaces of novel block copolymers with amphiphilic side chains were studied for their ability to influence the adhesion of marine organisms. The surface-active polymer, obtained by grafting fluorinated molecules with hydrophobic and hydrophilic blocks to a block copolymer precursor, showed interesting bioadhesion properties. Two different algal species, one of which adhered strongly to hydrophobic surfaces, and the other, to hydrophilic surfaces, showed notably weak adhesion to the amphiphilic surfaces. Both organisms are known to secrete adhesive macromolecules, with apparently different wetting characteristics, to attach to underwater surfaces. The ability of the amphiphilic surface to undergo an environment-dependent transformation in surface chemistry when in contact with the extracellular polymeric substances is a possible reason for its antifouling nature. Near-edge X-ray absorption fine structure spectroscopy (NEXAFS) was used, in a new approach based on angle-resolved X-ray photoelectron spectroscopy (XPS), to determine the variation in chemical composition within the top few nanometers of the surface and also to study the surface segregation of the amphiphilic block. A mathematical model to extract depth-profile information from the normalized NEXAFS partial electron yield is developed.     

Electronic switching of single silicon atoms by molecular field effects

We have observed on-off switching of scanning tunneling microscope current flow to silicon adatoms of the Si(111)-(7 x 7) surface that are enclosed within a bistable dimeric corral of self-assembled chlorododecane molecules. These thermally activated oscillations amounted to an order of magnitude change in the current. Theory showed that small changes in molecular configuration could cause alterations in the corralled adatom's electronic energy by as much as 1 eV due to local field effects, accounting for the observed current switching.     

Solitons and other nonlinear waves of the Boussinesq equation

This paper studies the dynamics of shallow water waves that are governed by the Boussinesq equations. A few perturbation terms are taken into account. The ansatz method is used to carry out the perturbed Boussinesq equation. Later on, the mapping method is used to extract a few more analytical solutions. Additionally, the Weierstrass elliptic function method is also used to obtain solitary waves and singular soliton solutions. Finally, the Lie symmetry approach is used to extract a few more additional solutions.     

Effect of Laser Fluence on the Structural and Optical Properties of Tantalum Oxide Films Ablated by Pulsed Laser

The influence of laser fluence on the properties of thin films of tantalum oxide is studied in this paper, varying the laser fluence from 5.7 to 8.3 J/cm². Thin films of tantalum oxide were deposited on glass substrates using pulsed-laser ablation technique. X-ray diffraction studies confirm the amorphous/nanocrystalline nature of all the films irrespective of the laser fluence. The Tauc plot analysis suggests that tantalum oxide is an indirect band gap material, whose band gap decreases with increase in laser fluence. The refractive index of the films is found to decrease with increase in laser fluence but the extinction coefficient of the films increases with increase in laser fluence. Fourier transform infrared studies suggest the use of tantalum oxide thin films as oxygen sensors. Micro-Raman analysis reveals the sensitiveness of Ta-O-Ta and Ta-O vibration modes to laser fluence. Among all the films, the film deposited at a laser fluence of 7 J/cm² is found to be superior in quality.     

Fully constrained Majorana neutrino mass matrices using $$\varvec{\varSigma (72\times 3)}$$

In 2002, two neutrino mixing ansatze having trimaximally mixed middle (\(\nu _2\)) columns, namely tri-chi-maximal mixing (\(\text {T}\chi \text {M}\)) and tri-phi-maximal mixing (\(\text {T}\phi \text {M}\)), were proposed. In 2012, it was shown that \(\text {T}\chi \text {M}\) with \(\chi =\pm \,\frac{\pi }{16}\) as well as \(\text {T}\phi \text {M}\) with \(\phi = \pm \,\frac{\pi }{16}\) leads to the solution, \(\sin ^2 \theta _{13} = \frac{2}{3} \sin ^2 \frac{\pi }{16}\), consistent with the latest measurements of the reactor mixing angle, \(\theta _{13}\). To obtain \(\text {T}\chi \text {M}_{(\chi =\pm \,\frac{\pi }{16})}\) and \(\text {T}\phi \text {M}_{(\phi =\pm \,\frac{\pi }{16})}\), the type I see-saw framework with fully constrained Majorana neutrino mass matrices was utilised. These mass matrices also resulted in the neutrino mass ratios, \(m_1:m_2:m_3=\frac{\left( 2+\sqrt{2}\right) }{1+\sqrt{2(2+\sqrt{2})}}:1:\frac{\left( 2+\sqrt{2}\right) }{-1+\sqrt{2(2+\sqrt{2})}}\). In this paper we construct a flavour model based on the discrete group \(\varSigma (72\times 3)\) and obtain the aforementioned results. A Majorana neutrino mass matrix (a symmetric \(3\times 3\) matrix with six complex degrees of freedom) is conveniently mapped into a flavon field transforming as the complex six-dimensional representation of \(\varSigma (72\times 3)\). Specific vacuum alignments of the flavons are used to arrive at the desired mass matrices.     

Precursor-controlled synthesis of hierarchical ZnO nanostructures,using oligoaniline-coated Au nanoparticle seeds

Shape-selected synthesis of a large number of zinc oxide (ZnO) nano- and microstructures was achieved by the seed-mediated growth of oligoaniline-coated gold nanoparticle precursors. Distinctive ZnO structures such as nanoplates, nanospheres, microstars, microflowers, microthorns and micromultipods were synthesized by this method. Slightly different shapes were obtained in the absence of the seed solution. This is a fast, low temperature (60 °C) and biomimetic route to make a wide variety of structures. The structure and morphology of the nanostructures were studied by transmission electron microscopy (TEM) and scanning electron microscopy (SEM), respectively. Raman spectroscopy, Fourier-transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD) were utilized for the characterization of the nanostructures. A growth mechanism for these nanostructures was proposed based on these results. The concentrations of the reacting species were the main parameter causing the changes in the morphologies. The variation in morphologies of these structures is believed to be due to the ability of the seed solution as well as polyvinylpyrrolidone (PVP) to selectively suppress/depress the growth of certain planes, allowing growth to occur only in certain specific directions. Changes in the amount of growth nuclei with varying sodium hydroxide (NaOH) concentration is also seen to affect the morphology of these structures.     

Semiconducting Fabrics by In Situ Topochemical Synthesis of Polydiacetylene: A New Dimension to the Use of Organogels

A diyne functionalized 4,6‐O‐benzylidene β‐d ‐galactopyranoside gelator, which can align its diyne motifs upon self‐assembly (gelation) have been synthesized. The organogel formed by this gelator undergoes topochemical polymerization to polydiacetylene (PDA) under photoirradiation. This strategically designed gelator has been used to make semi‐conducting fabrics. By developing the organogel on the fabrics, the gelator molecules were made not only to self‐assemble on the fibers, but also to adhere to fabrics through hydrogen bonding. UV irradiation of the gel‐coated fabric/fiber resulted in the formation of PDA on fibers. The benzylidene motif could be deprotected to get PDA with pendant free sugars that strongly bind to the cotton fibrils through multiple hydrogen bonds. Conductivity measurements revealed the semiconducting nature of these fabrics.     

Design and Analysis of Microstrip-Based RF Birdcage Coil for 1.5 T Magnetic Resonance Imaging

Magnetic resonance imaging (MRI) technique is widely used to capture the images of the liquid items inside the human body. The radio-frequency (RF) coil is one of the important modules present inside an MRI system, which plays a major role in image quality. In this work, a microstrip-based high-pass RF birdcage coil is proposed for 1.5 T MRI. The cylindrical-shaped birdcage coil consists of 12 microstrip radiating elements and tuning capacitors to achieve a resonance at 63.85 MHz. The coil is made up of 10 mm polytetrafluoroethylene substrate coated by a conducting transmission line of desired length and width. A finite difference time domain simulation is carried out to analyze the return loss (S₁₁), magnetic field homogeneity and Specific Absorption Rate (SAR) parameters of the RF coil. The SAR values of the proposed microstrip-based 1.5 T birdcage coil was compared with 3 T RF birdcage coil. The simulation results indicate the proposed birdcage coil structure gives optimal values of S₁₁, magnetic field homogeneity and SAR.     

Photovoltaic structures using AgSb(S x Se1−x )2 thin films as absorber

Photovoltaic structures were prepared using AgSb(S _x Se_1?x )₂ as absorber and CdS as window layer at various conditions via a hybrid technique of chemical bath deposition and thermal evaporation followed by heat treatments. Silver antimony sulfo selenide thin films [AgSb(S _x Se_1?x )₂] were prepared by heating multilayers of sequentially deposited Sb₂S₃/Ag dipped in Na₂SeSO₃ solution, glass/Sb₂S₃/Ag/Se. For this, Sb₂S₃ thin films were deposited from a chemical bath containing SbCl₃ and Na₂S₂O₃. Then, Ag thin films were thermally evaporated on glass/Sb₂S₃, followed by selenization by dipping in an acidic solution of Na₂SeSO₃. The duration of dipping was varied as 3, 4 and 5 h. Two different heat treatments, one at 350 °C for 20 min in vacuum followed by a post-heat treatment at 325 °C for 2 h in Ar, and the other at 350 °C for 1 h in Ar, were applied to the multilayers of different configurations. X-ray diffraction results showed the formation of AgSb(S _x Se_1?x )₂ thin films as the primary phase and AgSb(S,Se)₂ and Sb₂S₃ as secondary phases. Morphology and elemental detection were done by scanning electron microscopy and energy dispersive X-ray analysis. X-ray photoelectron spectroscopic studies showed the depthwise composition of the films. Optical properties were determined by UV–vis–IR transmittance and reflection spectral analysis. AgSb(S _x Se_1?x )₂ formed at different conditions was incorporated in PV structures glass/FTO/CdS/AgSb(S _x Se_1?x )₂/C/Ag. Chemically deposited post-annealed CdS thin films of various thicknesses were used as window layer. J–V characteristics of the cells were measured under dark and AM1.5 illumination. Analysis of the J–V characteristics resulted in the best solar cell parameters of V _oc = 520 mV, J _sc = 9.70 mA cm^?2, FF = 0.50 and η = 2.7 %.