This study focuses on developing a mathematical model for the bioconvective peristaltic propulsion of a saline-based hybrid nanofluid containing motile microorganisms through an endoscope. The flow phenomenon is further assisted by electroosmosis. Single-walled and multi-walled carbon nanotubes are employed to prepare the blood-based hybrid nanofluid. The modified Buongiorno model is utilized to incorporate the effects of nanotubes, with a comparison presented between two thermal conductivity models specified for nanotubes: the Xue model and the Yamada–Ota model. Furthermore, the energy equation is modified to include space- and temperature-dependent heat sources/sinks as well as Joule heating. Second-order slip boundary conditions for velocity are assumed at the outer wall of the endoscope. The formulated system of equations is nondimensionalized and simplified under the long-wavelength approximation. The resulting nonlinear and coupled differential equations are solved using the explicit Runge–Kutta method in Mathematica. Flow characteristics are analyzed graphically under varying parameter values, and it is observed that the Yamada–Ota model predicts enhanced thermal properties of the hybrid nanofluid more effectively. A decline in fluid velocity is observed with increasing bioconvective Rayleigh number. Moreover, increasing the oxygen consumption parameter by a factor of 2 results in a 6.69% decrease in oxygen concentration. When the fraction of nanotubes of both types increases from 1% to 2%, the Xue model predicts a 5.32% drop in temperature, whereas the Yamada–Ota model predicts a 6.94% drop.

We arrive at the soliton solutions by means of Darboux transformation for variable coefficient nonlinear Schrödinger equation with Hirota and LPD terms. For the first time, we control the soliton solutions through appropriately selecting the profiles of Hirota and LPD coefficients. Particularly, we attain the switching characteristics via inelastic collisions among multi-optical solitons in an inhomogeneous optical fiber system. These results provide some insights into the generalized variable coefficient NLS equation with Hirota and LPD for some real problems in the context of a fiber optic system. Results found through this paper have potential applications in the design of all-optical logic switching devices (AOLSD) for ultrafast switching.

The world is moving toward clean and sustainable energy, which makes it even more important to find good ways to store hydrogen. Metal hydrides are especially appealing among the several options since they have high volumetric and gravimetric densities. In this research, we utilize first-principles Density Functional Theory (DFT) computations via the CASTEP code to methodically examine the structural, electrical, optical, and hydrogen storage characteristics of Li 2 TiXH 6 (X [Formula: see text] Cr, Mn) hydrides. Our findings validate the structural stability of these compounds, which crystallize in the cubic Fm-3m space group, and elucidate their metallic characteristics as demonstrated by band structure and density of states investigations. Optical investigations also show that they absorb and conduct well in the low-energy range, which confirms that they could be useful for energy-related uses. The calculated hydrogen storage capabilities are 5.05[Formula: see text]wt.% for Li 2 TiCrH 6 and 4.93[Formula: see text]wt.% for Li 2 TiMnH 6 , which is close to the U.S. DOE goal of 5.5[Formula: see text]wt.%. These results offer the inaugural full theoretical understanding of Li 2 TiXH 6 hydrides, designating them as prospective contenders for next-generation solid-state hydrogen storage devices.

In this study, the wide-bandgap oxide spinel ZnAl 2 O 4 , which has a cubic Fd-3m structure, is investigated for its structural, electrical and thermoelectric properties. The FP-LAPW technique and GGA[Formula: see text]mBJ potential are used in first-principles calculations, which show a direct bandgap of 4.2[Formula: see text]eV at the [Formula: see text]-point. Strong temperature and chemical potential relying is shown in the Seebeck coefficient (S), which reaches values over [Formula: see text] 23,000 [Formula: see text]V/K close to [Formula: see text] [Formula: see text]eV at 500[Formula: see text]K. S is decreased by bipolar conduction, which is caused through higher temperatures. According to an analysis of electrical ([Formula: see text]/[Formula: see text]) and thermal ([Formula: see text]/[Formula: see text] conductivities, p-type conduction is favorable. At 1100[Formula: see text]K, ZT values approach 1.2 due to increased carrier excitation and decreased lattice thermal conductivity. Balanced performance for both carrier types is indicated by broad, symmetric ZT peaks around [Formula: see text]. These results indicate that ZnAl 2 O 4 is a potential high-temperature thermoelectric material. To maximize its effectiveness in energy recovery applications, doping and thermal tuning are crucial. It is an energy-storing material below 500[Formula: see text]K.

In this work, we prepared the g-C 3 N 4 /FeSi 2 composites by changing the FeSi 2 concentration (1%, 5%, 10% and 20%) and characterized them to determine their structural, surface morphology and electrochemical properties. X-ray diffraction analysis has confirmed the successful growth and incorporation of FeSi 2 into the g-C 3 N 4 matrix without compromising the crystallinity of the g-C 3 N 4 phase. Scanning electron microscopy revealed uniform dispersion of FeSi 2 particles within the g-C 3 N 4 sheets, with increased porosity and nanostructured morphology at higher amounts of FeSi 2 content. Electrochemical measurements, including cyclic voltammetry and galvanostatic charge–discharge tests, confirmed the improvements in electrochemical performance with increasing amount of FeSi 2 content. The g-C 3 N 4 /FeSi 2 composite with 20% FeSi 2 exhibited the highest specific capacitance of 1591.4[Formula: see text]Fg[Formula: see text] and larger energy density of 46.5 Whkg[Formula: see text] at a power density of 3500[Formula: see text]W kg[Formula: see text], highlighting its potential for high-performance supercapacitor applications. Additionally, the composite demonstrated the best long-term cycling stability, retaining nearly 100% of its initial capacitance after 10,000 cycles. These results suggest that g-C 3 N 4 /FeSi 2 (20%) composites are promising materials for advanced energy storage applications, combining high electrochemical performance with durability.

This work investigates the electronic and thermoelectric properties of zigzag and armchair edge Irida–Graphene Nanoribbons (IGNRs) with different widths. Using the Tight-binding model and the non-equilibrium Green’s function (NEGF) method, we analyze the band structure, density of states (DOS), transmission function, and I–V characteristics of these nanoribbons. ZIGNRs exhibit metallic behavior with localized edge states that enhance the DOS near the Fermi level, leading to a higher electronic figure of merit ([Formula: see text]). In contrast, AIGNRs show behavior that depends on the width, which affects their thermoelectric performance. The electronic figure of merit ([Formula: see text]) is calculated for both types of nanoribbons, with ZIGNRs demonstrating higher [Formula: see text] values, particularly for width [Formula: see text]. The presence of Negative Differential Resistance (NDR) in certain nanoribbons further highlights their potential for thermoelectric applications. These findings provide valuable insights into the tunable electronic and thermoelectric properties of IGNRs, offering new possibilities for their use in energy conversion and electronic cooling devices.

The approach described here utilizes symmetry-adapted Lie algebras to calculate the vibrational modes of titanium tetrachloride (TiCl[Formula: see text], tin tetrachloride (SnCl[Formula: see text] and germanium tetrachloride (GeCl[Formula: see text] molecules. Within this framework, a vibrational Hamiltonian is constructed to capture the fundamental modes’ systematics and their higher overtones. The results of our Lie algebraic model are in close agreement with experiments, which confirm the model’s capability to reproduce molecular vibrational phenomena and, in this case, highlight its substantial predictive accuracy. The model provides a systematic working framework for interpreting the vibrational spectra of tetrahedral molecules and provides important information about the anharmonic features and vibrational response of the systems studied. This study demonstrates the efficiency of Lie algebraic formalism in improving the theoretical modeling of vibrational spectra of advanced complex molecular configurations, and its subsequent applications in material science and drug design are far-reaching.

In this paper, a series of Gd[Formula: see text]-doped ZnAl 2 O 4 powder phosphors were prepared by adopting urea-assisted combustion synthesis. The powder X-ray diffraction (XRD) method confirmed the cubic spinel structure with space group F[Formula: see text]3m (No. 227). SEM revealed the surface properties and size of the as-prepared microparticles. EDS and elemental mapping confirmed the constituents present in the as-prepared sample. UVB emission observed at 312[Formula: see text]nm ( 6 P[Formula: see text]S[Formula: see text]) upon 273[Formula: see text]nm excitation. As-synthesized phosphors have potential uses in UV-emitting devices used for medical applications and other optical devices.

Quantum information measures are proposed to analyze the structure of near-gap electronic states in HgTe quantum wells in a strip geometry [Formula: see text] of finite width L. This allows us to establish criteria for distinguishing edge from bulk states in the topological insulator phase, including the transition region and cutoff of the wave number [Formula: see text] where edge states degenerate with bulk states. Qualitative and quantitative information on the near-gap Hamiltonian eigenstates, obtained by tight-binding calculations, is extracted from localization measures, like the inverse participation ratio (IPR), entanglement entropies of the reduced density matrix (RDM) to the spin sector – measuring quantum correlations due to the spin–orbit coupling (SOC) – and from correlation functions for a y-space partition. The analysis of IPR and entanglement entropies in terms of spin, wave number [Formula: see text] and position y, evidences a spin polarization structure and spatial confinement of near-gap wave functions at the boundaries [Formula: see text] and low [Formula: see text], as correspond to helical edge states. IPR localization measures provide momentum [Formula: see text] cutoffs from which near-gap states are no longer localized at the boundaries of the sample and become part of the bulk. Below this [Formula: see text]-point cutoff, the entanglement entropy and the spin probabilities of the RDM also capture the spin polarization structure of edge states and exhibit a higher variability compared to the relatively low entropy of the bulk state region. For a real-space partition, the edge-state region in momentum space exhibits lower correlation modulus, but higher correlation arguments, than the bulk-state region.

Surface-enhanced Raman scattering (SERS) has emerged as a powerful analytical tool for ultrasensitive trace molecule detection. Herein, we report the fabrication of uniform nanofilm substrates composed of Au–Ag alloy hollow nanoparticles (HNPs) with tunable sizes, demonstrating exceptional performance as SERS platforms. Using crystal violet (CV) as a Raman probe, the substrates exhibit densely and uniformly distributed “hot spots” across the nanofilm surface, enabling a detection limit as low as 10[Formula: see text] M for CV with excellent signal reproducibility (relative standard deviation, RSD [Formula: see text] 6.61%). Notably, the substrates achieve quantitative detection of thiram pesticides at ultratrace concentrations (0.01 ppb). Finite-difference time-domain (FDTD) simulations elucidate that the observed SERS enhancement originates from the synergistic contribution of two factors: (1) the localized surface plasmon resonance (LSPR) effects mediated by the Au–Ag HNPs and (2) the formation of abundant, spatially homogeneous “hot spots” within the nanofilm architecture. This study highlights the potential of size-engineered Au–Ag HNP nanofilms as robust, and high-performance SERS substrates for environmental and analytical applications.