Volume 72, Issue 11

The temperature-dependent mechanical and ultrasonic properties of barium, calcium, and lead polonides (BaPo, CaPo, and PbPo) were investigated in the temperature range 100–300 K. The second- and third-order elastic constants (SOECs and TOECs) were computed using Coulomb and Born-Mayer potential and these in turn have been used to estimate other secondary elastic properties such as strength, anisotropy, microhardness, etc. The theoretical approach followed the prediction that BaPo, CaPo, and PbPo are brittle in nature. PbPo is found to be the hardest amongst the chosen compounds. Further the SOECs and TOECs are applied to determine ultrasonic velocities, Debye temperature, and acoustic coupling constants along <100>, <110>, and <111> orientations at room temperature. Additionally thermal conductivity has been computed using Morelli and Slack’s approach along different crystallographic directions at room temperature. Finally ultrasonic attenuation due to phonon–phonon interaction and thermoelastic relaxation mechanisms has been computed for BaPo, CaPo, and PbPo. The behaviour of these compounds is similar to that of semi-metals with thermal relaxation time of the order 10 −11 s. The present computation study is reasonably in agreement with the available theoretical data for the similar type of materials.

Density functional theory (DFT) calculations of the structures and the Cu 2+ g factors ( g x , g y and g z ) and hyperfine coupling tensor A ( A x , A y and A z ) were performed for the paddle-wheel (PW)-type binuclear copper(II) complex {Cu 2 (μ 2 -O 2 CCH 3 ) 4 }(OCNH 2 CH 3 ) powder and single crystal. Calculations were carried out with the ORCA software using the functionals BHandHlyp, B3P86 and B3LYP with five different basis sets: 6-311g, 6-311g(d,p), VTZ, def-2 and def2-TZVP. Results were tested by the MPAD analysis to find the most suitable functional and basis sets. The electronic structure and covalency between copper and oxygen were investigated by the electron localisation function and the localised orbital locator as well as the Mayer bond order for the [CuO 5 ] group. The optical spectra were theoretically calculated by the time-dependent DFT module and plotted by the Multiwfn program for the [CuO 5 ] group and reasonably associated with the local structure in the vicinity of the central ion copper. In addition, the interactions between the OCNH 2 CH 3 , NH 3 and H 2 O molecules and the uncoordinated PW copper(II) complex were studied, and the corresponding adsorption energies, the frequency shifts with respect to the free molecules and the changes of the Cu–Cu distances were calculated and compared with the relevant systems.

The influence of quantum shielding on the Ramsauer–Townsend phenomena for the total electron–atom polarisation collision cross-section is investigated in partially ionised strongly coupled semiclassic plasmas. The result shows that the quantum shielding effect changes the position of the Ramsauer energy in partially ionised strongly coupled plasmas. It is also found that the quantum shielding effect enhances the total electron–atom collision cross-section when the collision energy is greater than the Ramsauer energy; however, it suppresses the collision cross-section when the collision energy is smaller than the Ramsauer energy. In addition, it is shown that the plasma screening effect significantly changes the position of the Ramsauer energy and the influence of plasma screening on the magnitude of the collision cross-section is more significant near the Ramsauer energy domain. The variations of the Ramsauer energy and the collision cross-section due to the quantum shielding effect are also discussed.

The physical mechanism of magnetosonic perturbations which modifies the Jeans instability in streaming quantum dusty magnetoplasmas is examined. These perturbations are low frequency and electromagnetic in nature that propagate with Alfvén speed. The fluid model consisting of momentum balance equations for quantum plasmas, Poisson’s equation for gravitational potential, and Maxwell’s equations for magnetosonic perturbations is used for the coupled solution. The numerical analysis of the dispersion relation elaborates the significant contribution of streaming speed of plasma species at equilibrium v 0 , uniform external magnetic field B 0 , electron number density at equilibrium n 0e , and variable dust mass m d over the Jeans instability. This study helps to understand the possible mechanism responsible for the formation of astrophysical objects.

In this article, we study the primary resonances of van der Pol systems with parametric excitation using the multiple scales method (MSM) and the homotopy analysis method (HAM). First, we study the nonlinear dynamic response of a coupled system with parametric excitation when the ratio of internal resonances are different, and obtain the four-dimensional average equation of the rectangular coordinate form using the MSM, thereby periodic motions are found in the system. Second, using the HAM, we obtain the four periodic solutions, in which there are two sets of in-phase periodic solutions and two sets of out-of-phase periodic solutions. Finally, we obtain the frequency response curves using the MSM and the HAM, in which it is found that the differences could be ignored.

This article deals with the interactions between a central crack and a pair of outer cracks situated at the interface of an orthotropic elastic half-plane bonded to a dissimilar orthotropic layer with a punch. The problem is reduced to the solution of three simultaneous singular integral equations that are finally solved using Jacobi polynomials. The phenomena of crack shielding and crack amplification have been depicted through graphs for different particular cases.

Local conservation laws, potential systems, and nonlocal conservation laws are systematically computed for three-equilibrium two-component boundary layer models that describe different physical situations: a plate flow, a flow parallel to the axis of a circular cylinder, and a radial jet striking a planar wall. First, local conservation laws of each model are computed using the direct method. For each of the three boundary layer models, two local conservation laws are found. The corresponding potential variables are introduced, and nonlocally related potential systems and subsystems are formed. Then nonlocal conservation laws are sought, arising as local conservation laws of nonlocally related systems. For each of the three physical models, similar nonlocal conservation laws arise. Further nonlocal variables that lead to further potential systems are considered. Trees of nonlocally related systems are constructed; their structure coincides for all three models. The three boundary layer models considered in this work provide rich and interesting examples of the construction of trees of nonlocally related systems. In particular, the trees involve spectral potential systems depending on a parameter; these spectral potential systems lead to nonlocal conservation laws. Moreover, potential variables that are not locally related on solution sets of some potential systems become local functions of each other on solution sets of other systems. The point symmetry analysis shows that the plate and radial jet flow models possess infinite-dimensional Lie algebras of point symmetries, whereas the Lie algebra of point symmetries for the cylinder flow model is three-dimensional. The computation of nonlocal symmetries reveals none that arise for the original model equations, which is common for partial differential equations (PDE) systems without constitutive parameters or functions, but does reveal nonlocal symmetries for some nonlocally related PDE systems.

We construct the Lax pair and Darboux transformation for the three-component coupled Hirota equations including higher-order effects such as third-order dispersion, self-steepening, and stimulated Raman scattering. A special vector solution of the Lax pair with 4×4 matrices for the three-component Hirota system is elaborately generated, based on this vector solution, various types of mixed higher-order localised waves are derived through the generalised Darboux transformation. Instead of considering various arrangements of the three potential functions q 1 , q 2 , and q 3 , here, the same combination is considered as the same type solution. The first- and second-order localised waves are mainly discussed in six mixed types: (1) the hybrid solutions degenerate to the rational ones and three components are all rogue waves; (2) two components are hybrid solutions between rogue wave (RW) and breather (RW+breather), and one component is interactional solution between RW and dark soliton (RW+dark soliton); (3) two components are RW+dark soliton, and one component is RW+bright soliton; (4) two components are RW+breather, and one component is RW+bright soliton; (5) two components are RW+dark soliton, and one component is RW+bright soliton; (6) three components are all RW+breather. Moreover, these nonlinear localised waves merge with each other by increasing the absolute values of two free parameters α , β . These results further uncover some striking dynamic structures in the multicomponent coupled system.

In this article, a fifth-order nonlinear Schrödinger equation, which can be used to characterise the solitons in the optical fibre and inhomogeneous Heisenberg ferromagnetic spin system, has been investigated. Akhmediev breather, Kuzentsov soliton, and generalised soliton have all been attained via the Darbox transformation. Propagation and interaction for three-type breathers have been studied: the types of breather are determined by the module and complex angle of parameter ξ ; interaction between Akhmediev breather and generalised soliton displays a phase shift, whereas the others do not. Modulation instability of the generalised solitons have been analysed: a small perturbation can develop into a rogue wave, which is consistent with the results of rogue wave solutions.