Influence of the deGennes extrapolation parameter on the resistive state of a superconducting strip

We studied the resistive state of a mesoscopic superconducting strip (bridge) at zero external applied magnetic field under a transport electric current, $J_a$, subjected to different types of boundary conditions. The current is applied through a metallic contact (electrode) and the boundary conditions are simulated via the deGennes extrapolation length b. It will be shown that the characteristic current–voltage curve follows a scaling law for different values of b. We also show that the value of $J_a$ at which the first vortex–antivortex (V–Av) pair penetrates the sample, as well as their average velocities and dynamics, strongly depend on the b values. Our investigation was carried out by solving the two-dimensional generalized time dependent Ginzburg–Landau (GTDGL) equation.     

Response properties at the dynamic water/dichloroethane liquid–liquid interface

ABSTRACT

We present a novel approach for calculating the static dielectric permittivity profile of a liquid–liquid interface (LLI) from molecular dynamics simulations. To obtain well-defined features, comparable to those observed at solid–liquid interfaces, we find it essential to reference to the instantaneous liquid–liquid interface rather than the more commonly used average Gibbs interface. We provide a coarse-grained approach for the practical definition of the instantaneous interface and present numerical results for the prototypical water/1,2-dichloroethane system. These results show that the parallel components of the dielectric permittivity tensor can be accurately extracted. In contrast, the perpendicular component does not converge to the correct bulk value at large distances from the LLI, highlighting a flaw in the regularly applied coarse-graining procedure.     

On the difference between a point multipole and an equivalent linear arrangement of point charges in force field models for vapour–liquid equilibria; partial charge based models for 59 real fluids

The replacement of a point dipole and a point quadrupole by a corresponding linear arrangement of two point charges (+q, ?q) and accordingly three point charges (+q, ?2q, +q) is studied with respect to vapour–liquid equilibria. The dependence of saturated liquid density, vapour pressure and heat of vaporization on the choice of the distance d between the charges in the point charge arrangement is analysed. For the studied dipolar two-centre Lennard-Jones (2CLJD) and quadrupolar two-centre Lennard-Jones (2CLJQ) models, d/σ between 1/15 and 1/20 is a reasonable compromise between numerical and physical accuracy, where σ is the Lennard-Jones size parameter. The results are used to derive validated partial charge based models of 59 real fluids from previously published point dipole and point quadrupole based models.     

Relation between structure and enthalpy for stacking interactions of aromatic molecules

An approximately linear correlation has been found between the enthalpy of complexation and the area of overlap of the chromophores using published structural and thermodynamical data on the self- and hetero-association of aromatic molecules measured under similar solution conditions. This finding is consistent with the assumption that short-range van-der-Waals forces dominate over other contributions to the enthalpy of stacking of aromatic molecules. It provides a ‘model-independent’ approach for a priori estimation of the enthalpy of aromatic–aromatic stacking interactions from knowledge of the structural properties or vice versa.     

H2O2–Ng dynamics predictions using an accurate potential energy surface

ABSTRACT

Based on ab initio calculations, our research group has built an analytical ground-state potential energy surface (PES) for hydrogen peroxide– noble gas (Ng) interactions, such as H₂O₂–He, H₂O₂–Ne, H₂O₂–Ar, H₂O₂–Kr, and H₂O₂–Xe complexes. From this PES, it was verified that the Ng presence does not affect the equilibrium values of the H₂O₂ dihedral angles. This happens because the H₂O₂ intramolecular barriers have much higher energies than the atom–bond interaction within these complexes. From this point of view, it is indeed reasonable to consider the H₂O₂ system as a rigid rotor, frozen at its equilibrium configuration. We present in this work the torsional motion for the H₂O₂ isolated system, the vibration–rotation energy levels and spectroscopic constants for hydrogen peroxide–noble gas by using the aforementioned PES. The predicted H₂O₂ torsional motions are in good agreement with both theoretical and experimental results available in the literature. Regarding H₂O₂–Ng ro-vibrational energies and spectroscopic constants, it is the first time that these calculations are presented in the literature. The current theoretical predictions are expected to be useful in the future experimental investigations.     

Synthesis,structural, dielectric and magnetic properties of spinel structure of Ca2+ substitute in Cobalt ferrites (Co1−xCaxFe2O4)

Non magnetic material Ca²⁺ as a substitute in Cobalt ferrite (Co_1?xCa_xFe₂O₄x?=?0.00, 0.05, 0.10 & 0.15) is prepared by self auto combustion method. The synthesized samples were carried out for various characterizations such as X-ray diffraction, Field emission scanning electron microscope (FE-SEM), Dielectric measurement and Magnetic property. X-ray diffraction reveals the values of crystalline size, lattice parameter and x-ray density by using the standard formula. The saturation magnetization (M_s) decreases from 63.92 to 43.17 emu/g for x?=?0.00 to 0.15 and the coercivity (H_c) increases gradually from 819.85 to 1312.32?Oe with the increase in Ca²⁺ concentration. The dielectric properties of synthesized nano materials were carried out at room temperature. The dielectric parameters such as tangent loss, Cole–Cole plot (Impedance, Modulus), and AC Conductivity were determined for various Ca²⁺ concentration. The frequency dependent dielectric dispersion behaviour of all the samples can be explained by the Maxwell–Wagner two-layer model along with Koop's phenomenological theory. As a result, Ca²⁺ substituted Cobalt ferrite is enhanced with their dielectric and magnetic property which is suitable for a memory device, recording media application and high frequency device.     

Micro-scale Fabry–Perot interferometer with high spectral resolution and tunable transmission frequency via chiral waveguide-emitter coupling

A micro-scale Fabry–Perot interferometer with high spectral resolution and tunable transmission frequency is proposed. In this scheme, two partially reflecting mirrors with a separation of several wavelengths is fabricated in a waveguide, and a two-level emitter is located between the mirrors and coupled to the waveguide with chiral interaction. We analytically show that the single emitter plays the role of a strongly dispersive medium and the full width at half maximum (FWHM) of the transmission fringes around the resonance frequency of the emitter can be narrowed by 5 orders of magnitude. The proposed micro-scale interferometer can have the same spectral resolution as meter-scale traditional interferometers. We also show that the central frequency of the narrowed transmission fringe can be tuned by adjusting the asymmetry of the emitter-waveguide coupling. Our scheme has potential applications in the fields of integrated optical circuit and quantum information processing.     

Importance of Darcy–Forchheimer porous medium in 3D convective flow of carbon nanotubes

This article explores Darcy–Forchheimer 3D flow of water-based carbon nanomaterial (CNTs). A bi-directional linear stretchable surface has been used to create the flow. Flow in porous space is represented by Darcy–Forchheimer expression. Heat transfer mechanism is explored through convective heating. Results for single-wall (SWCNTs) and multi-wall (MWCNTs) carbon nanotubes have been presented and compared. The reduction of partial differential system into nonlinear ordinary differential system is made through suitable variables. Optimal homotopic scheme is used for solutions development of governing flow problem. Optimal homotopic solution expressions for velocities and temperature are studied through graphs by considering various estimations of physical variables. Skin friction coefficients and local Nusselt number are analyzed through plots. Our findings show that the skin friction coefficients and local Nusselt number are enhanced for larger values of nanoparticles volume fraction.