Search Results (473)

The Korteweg–de Vries (KdV) equation is a nonlinear evolution equation that reflects a wide variety of dispersive wave occurrences with limited amplitude. It has also been used to describe a range of major physical phenomena, such as shallow water waves that interact weakly and nonlinearly, acoustic waves on a crystal lattice, lengthy internal waves in density-graded oceans, and ion acoustic waves in plasma. The KdV equation is one of the most well-known soliton models, and it provides a good platform for further research into other equations. The KdV equation has several forms. The aim of this study is to introduce and investigate a (2+1)-dimensional generalized fifth-order KdV equation with power law nonlinearity (gFKdVp). The research methodology employed is the Lie group analysis. Using the point symmetries of the gFKdVp equation, we transform this equation into several nonlinear ordinary differential equations (ODEs), which we solve by employing different strategies that include Kudryashov’s method, the $(G^{\prime }/G)$ expansion method, and the power series expansion method. To demonstrate the physical behavior of the equation, 3D, density, and 2D graphs of the obtained solutions are presented. Finally, utilizing the multiplier technique and Ibragimov’s method, we derive conserved vectors of the gFKdVp equation. These include the conservation of energy and momentum. Thus, the major conclusion of the study is that analytic solutions and conservation laws of the gFKdVp equation are determined. Full article

The single-crystal diamond (SCD), owing to its extreme physical and chemical properties, serves as an ideal substrate for quantum sensing and high-frequency devices. However, crystal anisotropy imposes significant challenges on fabricating high-quality micro-nano structures, directly impacting device performance. This work investigates the effects of femtosecond laser processing on the SCD under two distinct crystallographic orientations via single-pulse ablation. The results reveal that ablation craters along the <100> orientation exhibit an elliptical shape with the major axis parallel to the laser polarization, whereas those along the <110> orientation form near-circular craters with the major axis at a 45° angle to the polarization. The single-pulse ablation threshold of the SCD along <110> is 9.56 J/cm², representing a 7.8% decrease compared to 10.32 J/cm² for <100>. The graphitization threshold shows a more pronounced reduction, dropping from 4.79 J/cm² to 3.31 J/cm² (31% decrease), accompanied by enhanced sp² carbon order evidenced by the significantly intensified G-band in the Raman spectra. In addition, a phase transition layer of amorphous carbon at the nanoscale in the surface layer (thickness of ~40 nm) and a narrow lattice spacing of 0.36 nm are observed under TEM, corresponding to the interlayer (002) plane of graphite. These observations are attributed to the orientation-dependent energy deposition efficiency. Based on these findings, an optimized crystallographic orientation selection strategy for femtosecond laser processing is proposed to improve the quality of functional micro-nano structures in the SCD. Full article

Among the various available synthesis approaches, hydrolytic precipitation offers a simple, cost-effective, and scalable route for producing phase-pure NiO with a controlled morphology and crystallite size. However, the influence of calcination temperature on its crystalline phase, particle size, and antimicrobial activity remains an active field of research. This study aims to investigate the structural, morphological, and antibacterial properties of NiO nanoparticles synthesized via hydrolytic methods and thermally treated at different temperatures. XRD data indicate the presence of the hexagonal crystallographic phase of NiO (space group 166: R-3m), a structural variant less commonly reported in the literature, stabilized under mild hydrolytic synthesis conditions. The average crystallite size increases significantly from 4.97 nm at 300 °C to values of ~17.8 nm at 500–700 °C, confirming the development of the crystal lattice. The ATR-FTIR analysis confirms the presence of the characteristic Ni–O band for all samples, positioned between 367 and 383 cm⁻¹, with a reference value of 355 cm⁻¹ for commercial NiO. The displacements and variations in intensity reflect a thermal evolution of the crystalline structure, but also an important influence of the size of the crystallites and the agglomeration state. The results reveal a systematic evolution in particle morphology from porous, flake-like nanostructures at 300 °C to dense, well-faceted polyhedral crystals at 900 °C. With an increasing temperature, particle size increases. EDS spectra confirm the high purity of the NiO phase across all samples. Additionally, the NiO nanoparticles exhibit calcination-temperature-dependent antibacterial activity, with the complete inhibition of Escherichia coli and Enterococcus faecalis observed after 24 h for the sample calcined at 300 °C and over 90% CFU reduction within 4 h. A significant reduction in E. faecalis viability across all samples indicates time- and strain-specific bactericidal effects. Due to its remarkable multifunctionality, NiO has emerged as a strategic nanomaterial in fields ranging from energy storage and catalysis to antimicrobial technologies, where precise control over its structural phase and particle size is essential for optimizing performance. Full article

Low-permittivity microwave dielectric ceramics are essential for high-frequency communication and radar systems, as they minimize signal delay and interference, thereby enabling compact and high-performance devices. In this study, LiAl_5−xNi_xO_8−0.5x (x = 0.1–0.5) ceramics were synthesized via a solid-state reaction method to investigate the effects of Ni²⁺ substitution on crystal structure, microstructure, and dielectric properties. X-ray diffraction and Rietveld refinement reveal a phase transition from the P4₃32 to the Fd$\stackrel{-}{3}$m spinel structure at x ≈ 0.3, accompanied by a systematic increase in the lattice parameter (7.909–7.975 Å), attributed to the larger ionic radius of Ni²⁺ compared to Al³⁺. SEM analysis confirms dense microstructures with relative densities exceeding 95% and grain size increases from less than 1 μm at x = 0.1 to approximately 2 μm at x = 0.5. Dielectric measurements show a decrease in permittivity (ε_r) from 8.24 to 7.77 and in quality factor (Q × f) from 34,605 GHz to 20,529 GHz with increasing Ni content, while the temperature coefficient of the resonant frequency (τ_f) shifts negatively from −44.8 to −69.1 ppm/°C. Impedance spectroscopy indicates increased conduction losses and reduced activation energy with higher Ni²⁺ concentrations. Full article

The nanostructural features of a mechanically alloyed Sb-doped (Ti_0.4Zr_0.6)_0.7Hf_0.3NiSn thermoelectric (TE) Half-Heusler (HH) compound were addressed using Transmission Electron Microscopy (TEM) coupled with Energy Dispersive Spectroscopy measurements and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The EXAFS measurements at the Ni-K, Sn-K, Zr-K, and Hf-L₃-edge were implemented in an effort to reveal the influence of Hf and Zr incorporation into the crystal with respect to their previously measured TE properties. The substitution of Ti by Hf and Zr is expected to yield local lattice distortions due to the different atomic sizes of the dopants or/and electronic charge redistribution amongst the cations. However, the material is characterised by a high degree of crystallinity in both the short and long-range order, on average, and the nominal stoichiometry is identified as (Zr_0.42Hf_0.30Ti_0.28)NiSn_0.98Sb_0.02. The synergistic effect of minimization of extended structural defects or lattice distortions and considerable alloying-induced point defect population contributes to the improved TE properties and leads to the previously reported enhancement of the figure of merit of the mixed HHs. Full article

Both ZnO and BeO semiconductors crystallize in the hexagonal wurtzite (wz), cubic rock salt (rs), and zinc-blende (zb) phases, depending upon their growth conditions. Low-dimensional heterostructures ZnO/Be_xZn_1-xO and Be_xZn_1-xO ternary alloy-based devices have recently gained substantial interest to design/improve the operations of highly efficient and flexible nano- and micro-electronics. Attempts are being made to engineer different electronic devices to cover light emission over a wide range of wavelengths to meet the growing industrial needs in photonics, energy harvesting, and biomedical applications. For zb materials, both experimental and theoretical studies of lattice dynamics ${\mathsf{\omega }}_{\mathrm{j}}\left(\overrightarrow{\mathrm{q}}\right)$ have played crucial roles for understanding their optical and electronic properties. Except for zb ZnO, inelastic neutron scattering measurement of ${\mathsf{\omega }}_{\mathrm{j}}\left(\overrightarrow{\mathrm{q}}\right)$ for BeO is still lacking. For the Be_xZn_1-xO ternary alloys, no experimental and/or theoretical studies exist for comprehending their structural, vibrational, and thermodynamical traits (e.g., Debye temperature ${\mathsf{\Theta }}_{\mathrm{D}}\left(\mathrm{T}\right);$ specific heat ${\mathrm{C}}_{\mathrm{v}}\left(\mathrm{T}\right))$. By adopting a realistic rigid-ion model, we have meticulously simulated the results of lattice dynamics, and thermodynamic properties for both the binary zb ZnO, BeO and ternary Be_xZn_1-xO alloys. The theoretical results are compared/contrasted against the limited experimental data and/or ab initio calculations. We strongly feel that the phonon/thermodynamic features reported here will encourage spectroscopists to perform similar measurements and check our theoretical conjectures. Full article

The substituent effects on crystal stacking topology and stability of the 5,5-dinitro-2H,2H-3,3-bi-1,2,4-triazole (DNBT) and its three energetic cocrystals with 1,3,5-trinitrobenzene (TNB), 2,4,6-trinitrotoluene (TNT), and picric acid (PA) were systematically investigated through combined density functional theory (DFT) calculations and classical molecular dynamics (MD) simulations. The interaction mechanism and detonation performance of the three energetic cocrystals were implemented to the electrostatic potential (ESP), Hirshfeld surface analysis, radial distribution function (RDF), binding energy, and detonation parameters. In contrast to N-H⋯O interactions in DNBT, three cocrystals exhibited more distinctly weak C-H⋯O intermolecular hydrogen bonds and NO₂-π stacking interactions to stabilize the lattice. Notably, the highest binding energy of PA/DNBT shows the largest stability and lowest impact sensitivity is related to the more intermolecular interactions. Although the introduction of substituents slightly affects the crystal density of DNBT crystals, it significantly reduces the impact sensitivity. Moreover, the balanced detonation performance and impact sensitivity of DNBT-based cocrystals make it a candidate to expand the applications of DNBT crystals. These findings contribute to a broadened understanding of construction and design strategies for the energy release mechanisms of energetic compounds with the azoles ring family. Full article

In this study, Lu_2.5Y_0.5(Al_2.5Ga_2.5)O₁₂ (LuYAGG) single-crystal scintillators doped with terbium ions (Tb³⁺) at concentrations of 0.5, 1, 5, and 10 mol% were successfully synthesized using the floating zone method. The structural, optical, photoluminescence (PL), and scintillation properties of the Tb³⁺-doped crystals were systematically investigated with a focus on their potential for high-performance scintillator applications. X-ray diffraction (XRD) confirmed the formation of a pure garnet phase without any secondary phases, indicating the successful incorporation of Tb³⁺ into the LuYAGG lattice. Optical transmittance spectra revealed high transparency in the visible range. Photoluminescence measurements showed characteristic Tb³⁺ emission peaks, with the strongest green emission observed from the ⁵D₄ → ⁷F₅ transition, particularly for the 5 mol% sample. The PL decay curves further confirmed that this concentration offers a favorable balance between radiative efficiency and minimal non-radiative losses. Under γ-ray excitation, the 5 mol% Tb³⁺-doped crystal exhibited the highest light yield, surpassing the performance of other concentrations and even outperforming Bi₄Ge₃O₁₂ (BGO) in relative comparison, with an estimated yield of approximately 60,000 photons/MeV. Scintillation decay time analysis revealed that the 5 mol% sample also possessed the fastest decay component, indicating its superior capability for radiation detection. Although 10 mol% Tb³⁺ still showed good performance, slight quenching effects were observed, while lower concentrations (0.5 and 1 mol%) suffered from longer decay and lower emission efficiency due to limited activator density. These findings clearly identify with 5 mol% Tb³⁺ as the optimal dopant level in LuYAGG single crystals, offering a synergistic combination of high light yield and excellent optical transparency. This work highlights the strong potential of LuYAGG:Tb³⁺ as a promising candidate for the next-generation scintillator materials used in medical imaging, security scanning, and high-energy physics applications. Full article

The recovery of radiation damage induced by 231-MeV xenon ions with varying fluence (from 5 × 10¹¹ to 2 × 10¹⁴ cm⁻²) in α-Al₂O₃ (corundum) single crystals has been studied by means of isochronal thermal annealing of radiation-induced optical absorption (RIOA). The integral of elementary Gaussians (product of RIOA spectrum decomposition) OK has been considered as a concentration measure of relevant oxygen-related Frenkel defects (neutral and charged interstitial-vacancy pairs, F-H, F⁺-H⁻). The annealing kinetics of these four ion-induced point lattice defects has been modelled in terms of diffusion-controlled bimolecular recombination reactions and compared with those carried out earlier for the case of corundum irradiation by fast neutrons. The changes in the parameters of interstitial (mobile component in the recombination process) annealing kinetics—activation energy E and pre-exponential factor X—in ion-irradiated crystals are considered. Full article

Mg₆₆Zn₃₀Ca₄ metallic glass is a promising biodegradable material due to its high strength, corrosion resistance, and excellent glass-forming ability. In this study, we investigated its thermal stability, structural relaxation, and crystallization behavior using high-energy synchrotron-based X-ray diffraction and DSC analysis. The glass exhibits a wide supercooled liquid region of 58 K, allowing for thermoplastic forming. Structural relaxation experiments revealed nearly a complete relaxation in the first cycle below the first crystallization peak. Upon heating, the alloy undergoes a complex, multi-step devitrification involving successive formation of crystalline phases: Mg₅₁Zn₂₀ (orthorhombic), Mg (hexagonal), and a Ca–Mg–Zn intermetallic compound Ca₈Mg_26.1Zn_57.9, denoted as IM3. Phase identification was carried out by Rietveld refinement, and the evolution of lattice parameters demonstrated anisotropic thermal expansion, particularly in the Mg₅₁Zn₂₀ phase. Notably, the presence of the IM1 Ca₃Mg_xZn_15−x, with the 4.6 ≤ x ≤ 12 phase reported in earlier studies, was not confirmed. This work deepens the understanding of phase stability and crystallization mechanisms in Mg-based metallic glasses and supports their future application in biodegradable implants. Full article

The emergence of large-scale quantum computing presents an imminent threat to contemporary public-key cryptosystems, with quantum algorithms such as Shor’s algorithm capable of efficiently breaking RSA and elliptic curve cryptography (ECC). This vulnerability has catalyzed accelerated standardization efforts for post-quantum cryptography (PQC) by the U.S. National Institute of Standards and Technology (NIST) and global security stakeholders. While theoretical security analysis of these quantum-resistant algorithms has advanced considerably, comprehensive real-world performance benchmarks spanning diverse computing environments—from high-performance cloud infrastructure to severely resource-constrained IoT devices—remain insufficient for informed deployment planning. This paper presents the most extensive cross-platform empirical evaluation to date of NIST-selected PQC algorithms, including CRYSTALS-Kyber and NTRU for key encapsulation mechanisms (KEMs), alongside BIKE as a code-based alternative, and CRYSTALS-Dilithium and Falcon for digital signatures. Our systematic benchmarking framework measures computational latency, memory utilization, key sizes, and protocol overhead across multiple security levels (NIST Levels 1, 3, and 5) in three distinct hardware environments and various network conditions. Results demonstrate that contemporary server architectures can implement these algorithms with negligible performance impact (<5% additional latency), making immediate adoption feasible for cloud services. In contrast, resource-constrained devices experience more significant overhead, with computational demands varying by up to 12× between algorithms at equivalent security levels, highlighting the importance of algorithm selection for edge deployments. Beyond standalone algorithm performance, we analyze integration challenges within existing security protocols, revealing that naive implementation of PQC in TLS 1.3 can increase handshake size by up to 7× compared to classical approaches. To address this, we propose and evaluate three optimization strategies that reduce bandwidth requirements by 40–60% without compromising security guarantees. Our investigation further encompasses memory-constrained implementation techniques, side-channel resistance measures, and hybrid classical-quantum approaches for transitional deployments. Based on these comprehensive findings, we present a risk-based migration framework and algorithm selection guidelines tailored to specific use cases, including financial transactions, secure firmware updates, vehicle-to-infrastructure communications, and IoT fleet management. This practical roadmap enables organizations to strategically prioritize systems for quantum-resistant upgrades based on data sensitivity, resource constraints, and technical feasibility. Our results conclusively demonstrate that PQC is deployment-ready for most applications, provided that implementations are carefully optimized for the specific performance characteristics and security requirements of target environments. We also identify several remaining research challenges for the community, including further optimization for ultra-constrained devices, standardization of hybrid schemes, and hardware acceleration opportunities. Full article

NiFe₂O₄ and TiO₂ are widely studied for photoelectrochemical (PEC) applications due to their unique properties. Nitrogen-doped graphene (NG) and metal–organic frameworks (MOFs), such as MIL-100(Fe) (where MIL stands for Materials of Lavoisier Institute), are commonly incorporated to enhance PEC performance by offering a high surface area and facilitating efficient charge transport. Composite systems are commonly employed to overcome the limitations of individual PEC catalysts. In this study, a highly efficient NiFe₂O₄/NG@MIL-100(Fe)/TiO₂ photoanode was developed to enhance photoelectrochemical water-splitting performance. The composite was synthesized via a hydrothermal method with a two-step heating process. X-ray diffraction confirmed the expected crystal structures, with peak broadening in NiFe₂O₄ indicating reduced crystallite size and increased lattice strain. X-ray photoelectron spectroscopy of the Ni 2p and Fe 2p regions validated the successful integration of NiFe₂O₄ into the composite. Electrochemical analysis demonstrated excellent performance, with linear sweep voltammetry achieving a peak photocurrent density of 3.5 mA cm⁻² at 1.23 V (vs RHE). Electrochemical impedance spectroscopy revealed a reduced charge-transfer resistance of 50 Ω, indicating improved charge transport. Optical and electronic properties were evaluated using UV-Vis spectroscopy and Tauc plots, revealing a direct bandgap of 2.1 eV. The composite exhibited stable photocurrent under amperometric J-t testing for 2000 s, demonstrating its durability. These findings underscore the potential of NiFe₂O₄/NG@MIL-100(Fe)/TiO₂ as a promising material for renewable energy applications, particularly in photoelectrochemical water splitting. Full article

This work reports a study on the structural characterization, evaluation of thermal stability, and non-isothermal decomposition kinetics of urea–formaldehyde (UF) resin modified with hydrochar (obtained by the hydrothermal carbonization of spent mushroom substrate (SMS)) (UF-HC). The structural characterization of UF-HC, performed by scanning electron microscopy (SEM), Fourier transform infrared (FTIR), and X-ray diffraction analyses, showed that UF-HC consists of a large number of spheroidal particles, which are joined, thus forming clusters. It constitutes agglomerates, which are composed of crystals that have curved plate-like forms, including crystalline UF structure and graphite lattices with an oxidized face (graphene oxide, GO). The measurement of inherent thermal stability and non-isothermal decomposition kinetic analysis was carried out using simultaneous thermogravimetric–differential thermal analyses (TGA-DTA) at various heating rates. Parameters that are obtained from thermal stability assessment have indicated the significant thermal stability of UF-HC. Substantial variation in activation energy and the pre-exponential factor with the advancement of decomposition process verifies the multi-step reaction pathway. The decomposition process takes place through three independent single-step reactions and one consecutive reactions step. The consecutive stage represents a path to the industrial production of valuable heterocyclic organic compounds (furan) and N-heterocyclic compounds (pyrroles), building a green-protocol trail. It was found that a high heating rate stimulates a high production of furan from cellulose degradation via the ring opening step, while a low heating rate favors the production of urea compounds (methylolurea hemiformal (HFn)) by means of methylene ether bridges breaking. Full article

With the large-scale application of lithium-ion batteries in the field of new energy, many retired lithium batteries not only cause environmental pollution problems but also lead to serious waste of resources. Repairing failed lithium batteries and regenerating new materials has become a crucial path to break through this dilemma. Based on the research on the failure mechanism of ternary cathode materials, this paper systematically combs through the multiple factors leading to their failure, extensively summarizes the influence of heat treatment process parameters on the performance of recycled materials, and explores the synergistic effect between heat treatment technology and other processes. Studies have shown that the failure of ternary cathode materials is mainly attributed to factors such as cation mixing disorder, the generation of microcracks, phase structure transformation, and the accumulation of by-products. Among them, cation mixing disorder damages the crystal structure of the material, microcracks accelerate the pulverization of the active substance, phase structure transformation leads to lattice distortion, and the generation of by-products will hinder ion transport. The revelation of these failure mechanisms lays a theoretical foundation for the efficient recycling of waste materials. In terms of recycling technology, this paper focuses on the application of heat treatment technology. On the one hand, through synergy with element doping and surface coating technologies, heat treatment can effectively improve the crystal structure and surface properties of the material. On the other hand, when combined with processes such as the molten salt method, coprecipitation method, and hydrothermal method, heat treatment can further optimize the microstructure and electrochemical properties of the material. Specifically, heat treatment plays multiple key roles in the recycling process of ternary cathode materials: repairing crystal structure defects, enhancing the electrochemical performance of the material, removing impurities, and promoting the uniform distribution of elements. It is a core link to achieving the efficient reuse of waste ternary cathode materials. Full article

Superlattice hydrogen storage alloys have attracted much attention due to their high capacity, excellent cyclic stability, and moderate operating conditions. This review, focusing on journal articles published between 2020 and 2025, comprehensively covers the impacts of doping with different rare-earth elements and the substitution of different elements on superlattice hydrogen storage alloys and details the influence mechanisms of different preparation methods, such as arc melting and powder metallurgy, on the phase structure of alloys. A thorough analysis is conducted on how rare-earth element doping alters the crystal structure, lattice parameters, and phase stability of alloys, thereby affecting their hydrogen storage performance. Meanwhile, the differences in the effects of different substituting elements at various substitution sites on the phase structure and hydrogen storage performance of alloys are explored, and the regular patterns and influencing factors are summarized. This review provides a new perspective for the design and development of high-performance superlattice hydrogen storage alloys and is expected to contribute to the long-term and sustainable development of clean hydrogen energy. Full article