Band 71, Heft 1

Structural, mechanical, and electronic properties of orthorhombic rhenium phosphide (Re 2 P) are systematically investigated by using first principles calculations. The elastic constants and anisotropy of elastic properties are obtained. The metallic character of Re 2 P is demonstrated by density of state calculations. The quasi-harmonic Debye model is applied to the study of the thermodynamic properties. The thermal expansion, heat capacities, and Grüneisen parameter on the temperature and pressure have been determined as a function of temperature and pressure in the pressure range from 0 to 100 GPa and the temperature range from 0 to 1600 K.

Under investigation in this article is a generalised nonlinear Schrödinger-Maxwell-Bloch system for the picosecond optical pulse propagation in an inhomogeneous erbium-doped silica optical fibre. Lax pair, conservation laws, Darboux transformation, and generalised Darboux transformation for the system are constructed; with the one- and two-soliton solutions, the first- and second-order rogue waves given. Soliton propagation is discussed. Nonlinear tunneling effect on the solitons and rogue waves are investigated. We find that (i) the detuning of the atomic transition frequency from the optical pulse frequency affects the velocity of the pulse when the detuning is small, (ii) nonlinear tunneling effect does not affect the energy redistribution of the soliton interaction, (iii) dispersion barrier/well has an effect on the soliton velocity, whereas nonlinear well/barrier does not, (iv) nonlinear well/barrier could amplify/compress the solitons or rogue waves in a smoother manner than the dispersion barrier/well, and (v) dispersion barrier could “attract” the nearby rogue waves, whereas the dispersion well has a repulsive effect on them.

Fe 3+ undoped and doped CaWO 4 : Pr 3+ phosphors have been successfully synthesised by using the solid-state reaction method. The products were characterised by powder X-ray diffraction (XRD), photoluminescence (PL) and fluorescence lifetime testing techniques, respectively. The mean crystallite size (50.7 nm) of CaWO 4 : Pr 3+ is obtained from powder XRD data. PL spectra of both Fe 3+ undoped and doped CaWO 4 : Pr 3+ phosphors exhibit excitation peaks at 214, 449, 474, and 487 nm under monitor wavelength at 651 nm, and emission peaks at 532, 558, 605, 621, 651, 691, 712, and 736 nm under blue light ( λ em =487 nm) excitation. The effect of trace Fe 3+ on luminescence properties of CaWO 4 : Pr 3+ phosphor is studied by controlling the doping concentration of Fe 3+ . The results show that radioactive energy transfers from luminescence centre Pr 3+ to quenching centre Fe 3+ occurred in Fe 3+ doped CaWO 4 : Pr 3+ phosphors. With the increasing concentration of Fe 3+ , the energy transfer from Pr 3+ to Fe 3+ is enhanced, and the emission intensity of CaWO 4 : Pr 3+ will be lower. The decay times (5.22 and 4.99 μs) are obtained for typical samples Ca 0.995 WO 4 : Pr 3+ 0.005 and Ca 0.99275 WO 4 : Pr 3+ 0.005 , Fe 3+ 0.00225 , respectively. This work shows that nonferrous phosphors can improve the luminescent intensity of the phosphors.

In this article, we investigate a fourth-order nonlinear Schrödinger equation, which governs the Davydov solitons in the alpha helical protein with higher-order effects. By virtue of the generalised Darboux transformation, higher-order rogue-wave solutions are derived. Propagation and interaction of the rogue waves are analysed: (i) Coefficients affect the existence time of the first-order rogue waves; (ii) coefficients affect the interaction time of the second- and third-order rogue waves; (iii) direction of the rogue-wave propagation remain unchanged after interaction.

In this article we apply an approach to identify the oil–gas–water three-phase flow patterns in vertical upwards 20 mm inner-diameter pipe based on the conductance fluctuating signals. We use the approach to analyse the signals with long-range correlations by decomposing the signal increment series into magnitude and sign series and extracting their scaling properties. We find that the magnitude series relates to nonlinear properties of the original time series, whereas the sign series relates to the linear properties. The research shows that the oil–gas–water three-phase flows (slug flow, churn flow, bubble flow) can be classified by a combination of scaling exponents of magnitude and sign series. This study provides a new way of characterising linear and nonlinear properties embedded in oil–gas–water three-phase flows.

We have performed unbiased searches for the global minimum structures of (FeS) n + ( n =1–5) clusters using the CALYPSO method combined with density functional theory geometric optimisation. A large number of low-lying isomers are optimised at the B3PW91/6-311+G* theory level. Accurate ab initio calculations and harmonic vibrational analyses are undertaken to ensure that the optimised geometries are true minimum. They show that the most stable structures begin to exhibit three-dimensional (3D) configurations at n =3. The relative stabilities of (FeS) n + clusters for the ground-state structures are analysed on the basis of binding energies and HOMO-LUMO gaps. The theoretical results indicate that the binding energies of (FeS) n + tend to increase with cluster size. The maxima of HOMO-LUMO gaps (3.88 eV) for the most stable configurations appear at (FeS) + . Moreover, we have found that the (FeS) 2 + cluster possesses the lowest local magnetic moments compared to the other species. The origin of this magnetic phenomenon is also analysed in detail.

An explanation of the quantum-mechanical particle-wave duality is given by the watt-less emission of gravitational waves from a particle described by the Dirac equation. This explanation is possible through the existence of negative energy, and hence negative mass solutions of Einstein’s gravitational field equations. They permit to understand the Dirac equation as the equation for a gravitationally bound positive–negative mass (pole–dipole particle) two-body configuration, with the mass of the Dirac particle equal to the positive mass of the gravitational field binding the positive with the negative mass particle, and with the mass particles making a luminal “Zitterbewegung” (quivering motion), emitting a watt-less oscillating positive–negative space curvature wave. It is shown that this thusly produced “Zitterbewegung” reproduces the quantum potential of the Madelung-transformed Schrödinger equation. The watt-less gravitational wave emitted by the quivering particles is conjectured to be de Broglie’s pilot wave. The hypothesised connection of the Dirac equation to gravitational wave physics could, with the failure to detect gravitational waves by the LIGO antennas and pulsar timing arrays, give a clue to extended theories of gravity, or a correction of astrophysical models for the generation of such waves.

By employing the Pekeris approximation, the D-dimensional Schrödinger equation is solved for the nuclear deformed Woods–Saxon potential plus double ring-shaped potential within the framework of the asymptotic iteration method (AIM). The energy eigenvalues are given in a closed form, and the corresponding normalised eigenfunctions are obtained in terms of hypergeometric functions. Our general results reproduce many predictions obtained in the literature, using the Nikiforov–Uvarov method (NU) and the improved quantisation rule approach, particularly those derived by considering Woods–Saxon potential without deformation and/or without ring shape interaction.

Under investigation in this article is a (2+1)-dimensional generalised variable-coefficient shallow water wave equation, which describes the interaction of the Riemann wave propagating along the y axis with a long-wave propagating along the x axis in a fluid, where x and y are the scaled space coordinates. Bilinear forms, Bäcklund transformation, Lax pair, and infinitely many conservation law are derived based on the binary Bell polynomials. Multi-soliton solutions are constructed via the Hirota method. Propagation and interaction of the solitons are illustrated graphically: (i) variable coefficients affect the shape of the multi-soliton interaction in the scaled space and time coordinates. (ii) Positions of the solitons depend on the sign of wave numbers after each interaction. (iii) Interaction of the solitons is elastic, i.e. the amplitude, velocity, and shape of each soliton remain invariant after each interaction except for a phase shift.

A numerical study on the stagnation-point boundary layer flow of a viscous and incompressible (Newtonian) fluid past a stretching/shrinking sheet with the fluid suction using Buongiorno’s model is considered. The main focus of this article is the effects of the non-alignment of the flow and the surface of the sheet. We have also studied the problem using a new boundary condition that is more physically realistic which assumes that the nanoparticle fraction at the surface is passively controlled. The governing equations of this problem are reduced to the ordinary differential equations using some similarity transformations which are then solved using the bvp4c function in Matlab. From the results obtained, we concluded that the effect of the non-alignment function is the same as in the regular fluid or nanofluid. However, it is found that the fluid suction can reduce the effect of the non-alignment at the surface. Dual solutions have also been discovered in this problem and from the stability analysis it is found that the first solution is stable while the second solution is not stable.

Intrinsic and extrinsic plasmons are defined and the contribution of each determined. It is shown that quantum interference between intrinsic and extrinsic satellites in X-ray photoelectron spectroscopy (XPS) as well as in Auger electron spectra (AES) does not occur for plasmon loss peaks higher than first order. Line widths in measured reflected electron energy loss spectra (EELS) are analysed by subtracting the Shirley background. Contrary to common understanding, extrinsic and intrinsic contributions by plasmon peaks can be experimentally distinguishable by comparison of line widths.