This paper presents new exact solutions of a nonlinear long–short wave interaction system using two different methods named, the new Jacobi elliptic function expansion (NJEFE) method and the modified Kudryashov method (KM). Different types of solutions are obtained including, hyperbolic and Jacobi elliptic functions. The approaches used produce various dynamical wave structures of soliton solutions in evolutionary dynamical structures of solitary wave solutions. The useful parameter selections are permitted in order to provide a solution. To better comprehend the physical phenomena of these dynamical models that arise in mathematical physics, the physical behavior of these solutions is presented. The methods are efficient and can be used to produce novel solutions for different types of nonlinear partial differential equations.

LaFe[Formula: see text]NixO3 ([Formula: see text]) samples were synthesized via the sol–gel method, and the phase coexistence behavior was systematically investigated using X-ray diffraction (XRD) and Mössbauer spectroscopy. XRD analysis revealed a continuous structural transition from the orthorhombic Pnma to the rhombohedral R3c phase with increasing Ni content. A distinct two-phase coexistence was observed in the doping range of [Formula: see text]. Mössbauer spectroscopy enabled quantitative determination of the Fe ion distribution across the coexisting phases. The R3c phase first emerged at [Formula: see text], contributing 30.5%, and became predominant at [Formula: see text] with a contribution of 81.5%. At [Formula: see text], the R3c phase became exclusively present. Importantly, this work is the first to report distinct differences in the electronic environments of Fe ions between the Pnma and R3c phases in the LaFe[Formula: see text]NixO3 system. Such variations are attributed to mismatches in the tolerance factor, which influence both the global crystal symmetry and the local coordination of Fe ions. These findings offer compelling experimental evidence for understanding the microscopic mechanisms governing phase coexistence, thereby contributing to the theoretical basis for designing advanced functional materials.

Hydrogen storage is the technique of keeping hydrogen for use in energy applications, which is critical in the shift to sustainable energy. Innovative materials, such as metal hydrides, assure storage system efficiency and safety. In this paper, the physical traits of (Mg/Ca/Sr)2FeH6 are examined by employing the different potentials. The optimization curves for each hydride reveal complete structural stability, and the obtained optimized lattice constants are 6.34, 6.98 and 7.39 Å. The stress–strain compliance matrix is reduced to C[Formula: see text], C[Formula: see text] and C[Formula: see text] to obtain the mechanical properties of (Mg/Ca/Sr)2FeH6. The electronic properties reveal direct bandgaps for Z2FeH6 (Mg/Ca/Sr)2FeH6 with both potentials. The optical properties revealed that these hydrides are extremely useful in optical devices such as ultraviolet-based lenses and anti-reflective coatings. The hydrogen storage capacities for the studied hydrides depict that Mg2FeH6has a high volumetric density of 78.46 gH2/L and a superior hydrogen capacity of 5.15[Formula: see text]wt.% with a desorption temperature of 221.4[Formula: see text]K, making it an effective hydrogen storage material as compared to Ca2FeH6 and Sr2FeH6. These materials demonstrate the ability to adjust hydrogen storage capabilities via compositional modifications. Their various properties make them suitable options for certain hydrogen storage requirements in renewable energy systems.

This study investigates the correlation between the growth temperature of ZnO nanostructures and their porosity through optical absorbance analysis. ZnO nanostructures were synthesized using the carbothermal evaporation method at different temperatures (310–[Formula: see text]C) and characterized using SEM and XRD techniques. Optical absorbance spectra were measured for samples grown at 450 and [Formula: see text]C, and theoretical spectra were calculated using transfer matrix method for ideal nanostructures with varying porosities. Results indicate that higher growth temperatures lead to increased grain size and packing density, resulting in a redshift in absorbance spectra. The study also reveals a correlation between growth temperature, porosity and optical properties, including band gap energy and Urbach energy, suggesting that enhanced crystallinity and reduced defects at elevated temperatures improve optical performance. This research contributes to the understanding of ZnO nanostructures and their potential applications in advanced optoelectronic devices.

Halide cubic compounds are benchmark materials for the commercialization of optoelectronic devices. Due to their significant importance in smart technological applications, first-principle calculations were employed to investigate the physical properties (structural, opto-electronic and elastic anisotropic characteristics) of single halide perovskites (RbSrCl[Formula: see text] under varying applied pressures (0–40[Formula: see text]GPa). Findings indicate that the structural dimensions and unit cell volume decrease with increasing pressure, which is consistent with the literature. The transition from a wide to a narrow bandgap and from an indirect to a direct bandgap enhances the suitability of RbSrCl3 for optoelectronic devices. Covalent bonds between Rb–Sr/Cl and their lengths ranging from 3.92 to 2.94 Å at different pressures were also estimated. Furthermore, RbSrCl3 shows a high static dielectric constant (3.410), strong UV absorption and a reflectance of 6.5–19% in the visible spectrum, making it suitable for optoelectronic devices such as UV detectors, anti-reflection coatings in solar panels, OLEDs, QLEDs and waveguides. Additionally, elevated pressure enhances their optical characteristics, further highlighting their potential for applications in visible and ultraviolet wavelength regions. The formation energy and tolerance factor of RbSrCl3 confirm its thermodynamic and mechanical stability at specific pressures. Hydrostatic pressure significantly influences the mechanical behavior of this semiconductor while preserving its structural integrity. The calculated hardness value of 38.02 at 0[Formula: see text]GPa suggests that RbSrCl3 is appropriate for conventional applications. Anisotropy index calculations reveal their anisotropic nature, which is further illustrated by 3D contour plots. Thus, nontoxic perovskite (Rb–Sr/Cl[Formula: see text] offers valuable insights for future scientific and industrial applications.

Supramolecular gels are formed by the self-assembly of low molecular weight organic gelators with their solvent molecules. These are emerging novel materials with good semiconducting and light emitting properties with application potential as hole and electron transport layers in organic solar cells, LEDs, stimulus-responsive smart semiconducting materials, thin film transistors (TFT), etc. In this context, charge transport and mobility of charge carriers in these materials assume extreme significance. In the study, electrochemical impedance spectroscopy, which is a nondestructive technique, is used to analyze frequency-dependent electrochemical impedance values of a novel meallogel, ZnA–CA (Zinc Acetate–Citric Acid), and used to evaluate the charge properties and mobility. A comparative study of mobility values obtained from diode I–V characteristics of the gel and impedance measurements has also been made.

Background: Inclined square cavities play a critical role in engineering applications, particularly in thermal management, energy storage and electronic cooling, where inclination angles influence convective heat transfer. This study examines conjugate convective heat transfer within an inclined square cavity filled with micropolar nanofluids under a tilted Lorentz force using a two-phase nanofluid model. The system includes a heat-generating porous medium under thermal nonequilibrium, introducing complex dynamics. Factors such as thermal buoyancy, fluid–solid heat transfer coefficient and micropolar fluid properties are analyzed for their impact on heat transfer efficiency. Methods: The study uses the finite difference method (FDM) to solve nonlinear equations governing convective flow and heat transfer. Physical parameters, including thermal buoyancy, micropolar properties and thickness of the solid walls, are incorporated. The setup features conductive horizontal walls and adiabatic vertical walls to simulate realistic thermal conditions. An artificial neural network (ANN) trained on FDM data predicts local Nusselt numbers, leveraging multiple input factors. This hybrid numerical-AI approach enhances efficiency, reducing computational time while maintaining accuracy. Significant findings: The inclination angle, buoyancy ratio and micropolar effects significantly influence heat transfer efficiency by driving convective behavior within the cavity and affecting the local Nusselt number distribution. The ANN demonstrates high prediction accuracy, providing a fast and reliable tool for analyzing heat transfer in complex systems. Increasing the thickness of the solid walls from 0.05 to 0.3 results in a 35.78% reduction in flow activity. Additionally, when the fluid type is changed from Newtonian ([Formula: see text]) to non-Newtonian ([Formula: see text]), the heat transfer rate decreases by 50.63%.

In this work, we investigated the electronic, optical, and vibrational properties of the alprazolam crystal. The crystal packing was better understood by performing Hirshfeld surface analysis. Our results exhibit that alprazolam has a direct bandgap of 2.85[Formula: see text]eV with GGA-PBE, 4.03[Formula: see text]eV with HSE06, and 4.48[Formula: see text]eV with B3LYP. Its static dielectric constant is 2.26, and the static refractive index is 1.50, in addition to absorbing energy in the UV region. The main peaks of the IR and Raman spectra were identified as the vibration modes of the functional groups.

PbO2 has significant application value in energy storage and catalysis fields, and the pressure response mechanism of its crystal structure and physical properties is a key issue in material design. This paper uses first-principles calculations based on density functional theory (DFT) to systematically study the crystal structure, electronic properties, and mechanical behavior of [Formula: see text]-PbO2 and [Formula: see text]-PbO2 within the pressure range of 0–30[Formula: see text]GPa, including lattice parameters, bulk modulus, Young’s modulus and shear modulus. The results show that [Formula: see text]-PbO2 remains mechanically stable within this pressure range, while the bulk modulus of [Formula: see text]-PbO2 is higher than that of the [Formula: see text]-PbO2, but it becomes unstable when exceeding 10.99 GPa due to C[Formula: see text]-[Formula: see text]. Population analysis reveals that [Formula: see text]-PbO2 and [Formula: see text]-PbO2 have significant covalent characteristics, with obvious hybridization phenomena between O 2p, Pb 6s and Pb 6p states. The pressure enhances the covalency of the Pb–O bond. This study provides theoretical support for the design of PbO2 based materials under high pressure and the optimization of the positive electrode materials of lead-acid batteries.

Two-dimensional Janus materials have garnered significant interest in the domain of optoelectronics owing to their asymmetric structures and tunable electronic properties. However, systematic research on Janus systems based on main group elements remains limited. In this study, we systematically investigated the optoelectronic properties of monolayer Janus structures Ga2SSe and Ga2STe for the first time and the mechanism of biaxial strain in regulating their properties. The findings reveal that Ga2SSe is an indirect bandgap semiconductor with a bandgap of 2.534[Formula: see text]eV, while Ga2STe exhibits semimetal characteristics. Both materials exhibit excellent thermodynamic and kinetic stability, as evidenced by the absence of imaginary frequencies in their phonon spectra and the stability of their structures in AIMD simulations at 300[Formula: see text]K. The electronic structure can be significantly tuned by applying biaxial strain: The band gap of Ga2SSe can be adjusted within a range of 0.63–2.367[Formula: see text]eV under [Formula: see text] strain; the band gap of Ga2STe opens to 0.866[Formula: see text]eV under tensile strain, while compressive strain maintains its electrical conductivity. Optical analysis demonstrates that tensile strain enhances the visible light absorption coefficient of Ga2SSe by [Formula: see text] [Formula: see text]cm[Formula: see text], while the absorption characteristics of Ga2STe exhibit a strain-dependent spectral response. Furthermore, strain-induced charge redistribution and work function modulation elucidate the microscopic mechanism underlying the piezoelectric response of the material. Thermodynamic calculations further demonstrate that Ga2STe has a lower Gibbs free energy at high temperatures, thereby demonstrating excellent thermal stability. This study provides a theoretical foundation for the utilization of Ga-based Janus materials in ultraviolet detectors, strain sensors, and spintronic devices. Additionally, it offers novel approaches for band engineering and interface design of two-dimensional materials.