Search Results (261)

Elastomer-based nanocomposites combining polymer flexibility with conductive nanofillers provide lightweight, stretchable systems with tunable electromechanical properties for wearable electronics, soft robotics, and self-powered sensors. However, predicting their nonlinear response remains challenging because the observed piezoelectric-like response arises from strain-dependent interfacial polarization and evolving piezoresistive conduction pathways within heterogeneous microstructures. We introduce a continuum electro-hyperelastic framework combining the Mooney–Rivlin model for large-strain elasticity with a Helmholtz free-energy approach for electrostatic coupling. Analytical expressions for stress, electric displacement, and apparent piezoelectric coefficients are derived and implemented in finite element simulations. The model accurately reproduces the experimental mechanical, dielectric, and electromechanical behaviour of polydimethylsiloxane (PDMS) nanocomposites with 0.1–1 wt% graphene. These show increased stiffness, relative permittivity (from 3.4 to 4.0, ≈18%), and quasi-static d₃₃ coefficients (from −5.6 to −10.0 pC N⁻¹, ≈80% enhancement). Analytical and finite element method (FEM) results show consistent trends across the full deformation range, with Maxwell stress agreement within 10% at lower deformation levels, while deviations of 33–40% for coupled electromechanical quantities at an axial displacement u_z~ = −1 mm (~16.7% compressive strain) are attributable to three-dimensional shear effects absent from the uniaxial analytical assumption. Simulations reveal that graphene boosts Maxwell stress, yielding a four-fold increase at lower stretch ratios. This reframes PDMS–graphene composites as electro-hyperelastic materials, offering a predictive, extensible framework. It highlights apparent piezoelectricity as an emergent, tunable effect from charge redistribution in a compliant hyperelastic matrix—guiding the design of next-generation flexible devices leveraging field-induced coupling over intrinsic polarization. Full article

This study employs high-temperature precipitation combined with heating dissolution to redistribute solute atoms near the grain boundaries of alloy 2618, regulating the width of the precipitation-free zone at the grain boundaries and the aging precipitates in their vicinity. Microscopy techniques, including high-resolution scanning electron microscopy and transmission electron microscopy, were used to observe the grain-boundary structure of the alloy. A universal electronic tensile testing machine and an impact tester were used to evaluate the mechanical properties of the alloy. The results show that solution treatment at 535 °C for 30 min, followed by high-temperature precipitation at 470 °C for 10 min and subsequent heating dissolution at 535 °C for 10 min, significantly narrowed the width of the precipitation-free zone at the grain boundaries of alloy 2618. The number of precipitated phases in the vicinity of the grain boundaries increased. Compared with the conventional solution aging treatment of alloy 2618, the tensile strength and impact toughness of the alloy subjected to high-temperature precipitation, heating dissolution, and aging increased by 5.0% and 23.7%, respectively. Thus, the synergistic effects of high-temperature precipitation and heating dissolution effectively improved the grain-boundary structure and enhanced the overall mechanical properties of alloy 2618. Full article

Eight H-bonded salts of arsenic acid and nitrogen bases (2,4,6-trimethylpyridine, pyridine-2,6-diamine, pyridin-4-ol, 4-methoxypyridine, 4-methoxyaniline, 1,3,5-triazine-2,4,6-triamine, diethylamine and N¹,N¹,N²,N²-tetraethylethane-1,2-diamine) were studied in the solid state by single crystal X-ray diffraction technique and DFT calculations. In all cases quite short (≤2.65 Å) OHO bonds were found in the self-assembled supramolecular ribbons or 2D networks of dihydrogen arsenates, constituting a repertoire of five different H-bonding patterns (motifs). The electron localization function maps revealed the spots of the nucleophilic sites on oxygen atoms that determine the preferable directions for H-bonding of H₂AsO₄⁻ anions observed in the crystal packing. Analysis of the electrostatic potential maps for isolated species has demonstrated that upon H-bonding between H₂AsO₄⁻ anions and protonated nitrogen bases, NH⁺⋯⁻OAsO(OH)₂, the redistribution of electron density within the anion provides otherwise virtually non-existent electrophilic sites on hydrogen atoms, which balances the Coulomb repulsion and allows for the anion⋯anion pairing within the crystal. The topological analysis of the calculated crystalline electron density after relaxation of the hydrogen atoms’ positions was used to classify the OHO bonds as moderately strong ones (with an interaction energy up to 65 kJ/mol) and revealed a high degree of ionicity of molecular moieties within ion pairs (with an absolute charge up to 0.87 e). For the strongest OHO and NHO bonds, the noticeable covalent character was shown by using the crystal orbital Hamiltonian population analysis. Full article

Polypyrrole-based functional composites are increasingly explored and extensively adopted for energy storage, sensing, and environmental applications due to their tunable electronic properties, chemical versatility, and mechanical stability. However, rational optimization of these composites requires a unified understanding of electronic, mechanical, thermal, and chemical behavior at the atomic scale, which underlies their multifunctional behavior, and remains fragmented. Notably, Density Functional Theory (DFT) provides indispensable atomistic insight into the electronic, mechanical, thermal, and chemical interactions that govern the performance of multifunctional materials. To bridge these gaps, this review presents a comprehensive assessment of recent DFT and time-dependent DFT (TD-DFT) studies that elucidate the electronic, mechanical, thermal, and chemical characteristics of polypyrrole and its hybrid composites. Key theoretical descriptors, including electronic structure modulation, charge transfer behavior, adsorption energetics, interfacial binding energies, hydrogen bond formation, and charge redistribution, are critically assessed to establish structure–property relationships across diverse functional systems. Considerable attention is given to interfacial interactions, doping strategies, and composite architectures that govern durability, conductivity, and chemical stability. By consolidating current atomistic insights and identifying existing limitations, this review provides a coherent framework for rational material design. Notably, it presents the first systematic quantification of dopant steric effects in PPy multifunctional composites, linking atomistic-scale modifications to the optimization of functional properties in next-generation applications. Full article

The rapid deployment of electric vehicles (EVs) has introduced new challenges to distribution networks, which are mainly related to power quality and grid reliability. Electric vehicle chargers behave as nonlinear loads because they are based on power electronic converters, which generate harmonic currents, cause voltage distortion, increase stress on network components, and might impact the overall power quality of distribution networks. In this study, power quality (PQ) measurements and harmonic characteristics were investigated for five electric vehicle models, namely the BYD Song Plus, Volkswagen ID6, Neta U, Nissan LEAF 2016, and Tesla Model 3. Measurements were carried out for different power levels—slow AC, low-power and fast AC, high-power charging modes—to evaluate the PQ characteristics and harmonic behavior of EVs. Fast charging power levels for most vehicles ranged between 5 and 11 kW, while slow charging ranged between 2.7 and 3.6 kW. It is found that harmonic characteristics, total harmonic current distortion (THD_I), and harmonic distribution depend on the EV type and the charging mode. This study found that THD_I varies between 1.5% and 10.72% for the tested EVs. Comparison with IEC power quality standards indicates that the impact of electric vehicle charging on voltage quality is limited, while current harmonic distortion varies significantly among vehicle models. Harmonic analysis reveals that the third and fifth orders dominate across most of the tested EVs, while the transition from slow to fast charging power level generally reduces low-order harmonics in most models, with vehicle-specific redistribution patterns that reflect converter topology and control strategy. The results also show that some EV chargers draw reactive power and operate with a lagging power factor, whereas other vehicles inject reactive power and operate under leading power factor conditions. Full article

This study presents the electrochemical characterization of a novel, binder-free, plasma-treated aluminum/carbon electrode (“Surge”) using lithium metal half-cells. The low operating potential near 0 V vs. Li/Li⁺ enables the investigation of the electrode’s charge storage mechanisms and stability limits. We compare its electrochemical behavior in coin cells (CR2032) against two reference configurations: (i) the Surge electrode with a thin copper backer (Surge + Cu-backer) and (ii) a commercial graphite electrode on an aluminum current collector (C-REF). The Surge electrode demonstrated ultra-high initial specific capacities of up to approximately 4500 mAh/g (cycle 1) with Coulombic efficiencies exceeding 85% after the formation cycle. The observed capacity significantly exceeds the theoretical value for Li-Al alloying (993 mAh/g), indicating that lithium plating within the porous carbon scaffold contributes substantially to the total charge storage. However, this high performance was limited to approximately 8 to 9 stable cycles. Post-cycling analysis via scanning electron microscopy combined with energy-dispersive X-ray spectroscopy (SEM/EDX) revealed a dominant failure mechanism: partial dissolution and consumption of the Al current collector leading to material redistribution. Quantitative EDX analysis showed a decrease in Al content from 45 at.% to 12 at.% alongside an increase in oxygen content from 8 at.% to 38 at.%, suggesting extensive Al-oxide formation. Critically, in the absence of a backer, Al-containing material deposited onto the stainless-steel cell components. The Cu backer served to redirect these deposits, improving current collection and modestly extending the short-term durability to approximately 1800 mAh/g at cycle 14 (approximately 75% capacity retention). In contrast, the C-REF control cell reached only approximately 1000 mAh/g (cycle 4) before failing within 5 to 6 cycles, underscoring the inherent instability of bare Al at low potentials. This characterization study establishes the Surge architecture as a successful proof-of-concept for ultra-high capacity charge storage and identifies Al dissolution as the dominant degradation mechanism. Future optimization must focus on stabilizing the Al substrate through protective interphases, alloying, or electrolyte engineering. Full article

Studying the mechanisms by which Gram-negative heterotrophic bacteria transition from active metabolism to dormancy is an important task, as it is directly related to the problem of bacterial antibiotic resistance and the spread of nosocomial infections. Using electron microscopy, microbiology, and molecular modeling, we investigated the dose-dependent mechanisms of action of 4-hexylresorcinol (4HR), a chemical analog of the anabiosis autoinducer, on the cell membranes of Gram-negative bacteria (using Escherichia coli as an example), leading to the formation of stressed, dormant, and mummified cells. It was shown that 4HR penetrates membranes equally easily both as single molecules and as micelles, distributing itself across the membrane so that the hydrocarbon radicals are aligned parallel to the lipid tails. When micelles penetrate the membrane, uneven distribution of 4HR within and between leaflets occurs, as well as lipid redistribution within the membrane, leading to the appearance of a third peak on the phospholipid electron density profile and a third black band in the membrane region in TEM images of such cells. At 4HR concentrations in solution of 200 µM, its micelles cover the cell membranes in a thick layer, penetrate into the membrane, and completely saturate it. Even higher concentrations create agglomerates or actually micellar arrays within the cell membranes, leading to cell death through mummification. Full article

Flexible dielectric composite materials capable of converting power frequency electric fields into measurable electrical signals are of great significance in the field of non-contact electric field sensing in power systems. In this paper, graphene/nitride heterojunction powders were prepared using three representative nitrides (AlN, BN, and Si₃N₄) and embedded in polydimethylsiloxane (PDMS) to prepare flexible composite films with a fixed filler content of 5.0 wt%. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) confirmed the successful formation of the heterojunctions. The results showed that the nitride-related elements (Al, Si and N) were spatially correlated with the graphene-rich regions, thus providing abundant interfacial contact sites. Dielectric spectroscopy (50 Hz–50 kHz) showed that all samples exhibited typical dispersive behavior, with the real part of the dielectric constant decreasing monotonically with increasing frequency, and the loss tangent also decreasing smoothly. Under a 50 Hz parallel-plate electric field, the normalized induced voltage amplitude (PDMS = 1) increases to 1.070 (≈7.0%) for G/PDMS, and further to 1.0723–1.07447 (≈7.23–7.45%) for AlN–G/PDMS, BN–G/PDMS, and Si₃N₄-G/PDMS. DFT calculations confirm that the graphene/nitride interface has a stable structure with negative binding energies (−2.241, −1.773, and −3.062 eV for AlN–G, BN–G, and Si₃N₄–G, respectively). Significant charge redistribution and Mulliken charge transfer (0.0538, 0.2047, and 0.0244 eV, respectively) are present at the interface, accompanied by Fermi level density of states modulation and a small bandgap opening (~0.101 eV) in BN–G. These results collectively support the interfacial polarization-driven mechanism and provide a comparative basis for selecting nitride components in graphene-based heterojunction fillers in flexible dielectric electric field-sensing layers. Full article

This study investigates the temporal and latitudinal variability of the ionosphere over the Indian longitude region during the intense geomagnetic storm from 1 to 3 June 2025, using GNSS receiver observations and magnetometer recordings, along with space-based measurements from in situ Swarm satellite, COSMIC-2 radio occultation, GUVI/TIMED-derived O/N₂ ratios, and model-derived electric fields. This particular event is relatively new and is characterized by the bifurcated variation with two distinct main phases separated by a short-lived recovery phase. The results revealed distinct features associated with the geomagnetic storm, including positive and negative ionospheric phases, thermospheric compositional changes, and the latitudinal propagation of disturbances. On 1 June, the observed strong positive ionospheric storm was driven by Prompt Penetration Electric Fields (PPEFs) and equatorward neutral winds, which triggered the upliftment of F-region plasma to higher altitudes through the enhanced equatorial fountain effect, leading to an unusually long-lasting Total Electron Content (TEC) enhancement from day to night. The analysis also revealed the distinct latitudinal behaviour, exhibiting the clear poleward extension of the Equatorial Ionization Anomaly (EIA) crest and significant TEC enhancements (~150–200% of the quiet day values) from low to mid latitudes as compared to the equatorial location through an efficient plasma redistribution. Conversely, pronounced negative ionospheric storm effect at almost all latitudinal locations on 2 June confirms complex and unusual storm-time dynamics, with inhibited upward plasma drifts due to the presence of Disturbance Dynamo Electric Fields (DDEFs), while the thermospheric O/N₂ ratio caused an extensive decrease in electron density over the Indian region. Minor negative storm noticed on 3 June coincides with the storm recovery period, reflecting prolonged disturbance dynamo effects and gradual recovery in thermospheric conditions. Overall, the current study highlights the strong sensitivity of the regional ionosphere to prevailing coupled electrodynamic-thermospheric forcing during the June 2025 geomagnetic storm that has not yet been reported for this event over the Indian longitude sector. Moreover, the findings from this study underscore peculiar storm-time behaviour of summer solstice ionosphere over the Indian longitude sector, driven by complex coupled processes which could be incorporated into ionospheric models and forecasting frameworks. Full article

The modern smart grid integrates information and communication technology (ICT) with electronic devices, but this integration introduces cybersecurity risks. Load measurements, crucial for grid operation, are vulnerable to attacks, particularly Load Redistribution Attacks (LRAs). LRAs maliciously alter load readings to mislead control systems without being detected by conventional methods. This paper first introduces two advanced LRA variants: a stealthy-enhanced LRA designed to bypass sophisticated data-driven detectors, and an impact-enhanced LRA engineered to cause significant operational disruptions, such as increased generation costs. To address these evolving threats, we propose a novel Sensor-oriented Temporal Detector (STD). Unlike existing methods that often rely on aggregate data or labeled attack examples, our STD focuses on the unique temporal patterns of individual sensor measurements. It achieves this by combining principal subspace projection to identify normal data subspaces with sequential change extraction to detect subtle deviations over time. This approach allows the STD to identify various LRA types effectively, even without prior knowledge of attack signatures. Extensive simulations validate the destructive impact of our proposed LRA variants and demonstrate the superior detection performance of the STD against these sophisticated attacks. Full article

Nickel(II) and palladium(II) ions are capable of forming complexes with macrocyclic terapyrrole structures such as the porphyrin or corrin ring. Many different derivatives of these complexes are synthesized and studied because these compounds have potential numerous applications, including catalysis, various light-driven chemical reactions and processes related to intramolecular and intermolecular energy redistribution. Nickel porphyrins exhibit neither fluorescence nor phosphorescence when excited with light; however, palladium porphyrins, when excited to the singlet state, very quickly transform into the triplet state, and unlike nickel porphyrins, deactivation of the excited states occurs by phosphorescence. Palladium corrin has dual luminescent properties and exhibits both a weak fluorescence and strong phosphorescence. These photophysical differences are based on the complex energetic redistribution of singlet and triplet excited states interacting with each other in the intersystem crossing process. Based on the results of calculations at the DFT/TDDFT and CASSCF/NEVPT2 levels of theory, the structure of electronic excited states of model nickel(II) and palladium(II) complexes with corrin and porphyrin macro-rings was characterized and potential paths of photophysical processes leading to the occupancy of low-lying triplet states were described. In nickel complexes, very low-energy triplet states are the main cause of the rapid radiationless deactivation of excited states via triplet photophysical pathways. Full article

The performance of Zr-2.5Nb alloy pressure tubes in nuclear reactors is critically dependent on the behavior of precipitated hydrides. In this study, a hydrogen-charged Zr-2.5Nb alloy pressure tube was subjected to in situ tensile testing combined with electron backscatter diffraction to elucidate microcrack evolution and microstructural adaptation. Initially, longitudinal hydride–hydride interface cracks nucleated at non-coherent interfaces of two types of hydrides due to the inherent brittleness. Subsequently, stress redistribution by a small proportion of hydride–hydride interface cracks resulted in the emergence of microcracks at the transverse hydride–matrix interfaces, accompanied by partial hydride phase transformation. Finally, under high strain conditions, increased dislocation movement in the matrix triggered a single slip system, leading to the formation of numerous low-angle grain boundaries. As strain further increased, multiple slip systems were activated, and longitudinal matrix–matrix interface cracks began to nucleate at certain grain boundary locations. Full article

Seawater electrolysis offers a promising route for sustainable hydrogen production in coastal areas, leveraging solar energy while reducing freshwater consumption. Yet, chloride-induced corrosion severely limits conventional electrodes such as titanium, which depend on passive titanium dioxide films and display minimal hydrogen evolution reaction activity (|i₀,H₂| ≈ 0.001–0.01 A/m²). Here, we report for the first time the use of copper-based coordination compounds—a triazole-derived polymer (CC_Cu) and a Prussian Blue Analogue (CuHCF)—as dual-function electrodes combining corrosion resistance with electrocatalytic activity. Structural integrity was verified by FTIR, TGA, XRD, and SEM/EDS analyses. Electrochemical tests in 0.5 M NaCl, interpreted using mixed potential theory, revealed corrosion potentials (E_corr) of −40 mV versus Standard Hydrogen Electrode (CuHCF) and −23 mV versus Standard Hydrogen Electrode (CC_Cu), and corrosion current densities of 0.259 and 0.379 A/m², respectively. Both exhibited hydrogen evolution reaction exchange current densities significantly higher than titanium (0.019 A/m² for CuHCF and 0.062 A/m² for CC_Cu). CuHCF achieved a Tafel slope of 222 mV/dec, comparable to NiMoP alloys and carbon steel. Complementary density functional theory calculations elucidated how metal–ligand interactions and electronic redistribution govern both catalytic performance and degradation. These findings introduce a new concept of semi-electrocatalysts, where copper coordination compounds act as structurally adaptive, low-cost materials bridging corrosion resistance and hydrogen evolution in seawater systems. Full article

Electric-field-sensitive dielectrics play a crucial role in electric field induction sensing and related capacitive conversion, with interfacial polarization and charge accumulation largely determining the signal output. This paper introduces graphene/transition metal dichalcogenide (TMD) (MoSe₂, MoS₂, and WS₂) heterojunctions as functional fillers to enhance the dielectric response and electric-field-induced voltage output of flexible polydimethylsiloxane (PDMS) composites. Density functional theory (DFT) calculations were used to evaluate the stability of the heterojunctions and interfacial electronic modulation, including binding behavior, charge redistribution, and Fermi level-referenced band structure/total density of states (TDOS) characteristics. The calculations show that the graphene/TMD interface is primarily controlled by van der Waals forces, exhibiting negative binding energy and significant interfacial charge rearrangement. Based on these theoretical results, graphene/TMD heterojunction powders were synthesized and incorporated into polydimethylsiloxane (PDMS). Structural characterization confirmed the presence of face-to-face interfacial contacts and consistent elemental co-localization within the heterojunction filler. Dielectric spectroscopy analysis revealed an overall improvement in the dielectric constant of the composite materials while maintaining a stable loss trend within the studied frequency range. More importantly, calibrated electric field induction tests (based on pure PDMS) showed a significant enhancement in the voltage response of all heterojunction composite materials, with the WS₂-G/PDMS system exhibiting the best performance, exhibiting an electric-field-induced voltage amplitude 7.607% higher than that of pure PDMS. This work establishes a microscopic-to-macroscopic correlation between interfacial electronic modulation and electric-field-sensitive dielectric properties, providing a feasible interface engineering strategy for high-performance flexible dielectric sensing materials. Full article

Vulcanized NR-SBR is widely used in vehicle components; however, its irreversible crosslinking limits recyclability and contributes to the large number of tires discarded annually worldwide, and in this context, this work presents an experimental comparative assessment of the tribological behavior of conventional tire rubber and silicone VMQ, motivated by a wheel concept based on a detachable tread aimed at improving durability and sustainability rather than proposing an immediate material substitution. Wear and friction behavior were investigated under abrasive and self-friction conditions using pin-on-disk testing with an abrasive counterpart representative of asphalt, supported by optical and scanning electron microscopy. The results show that NR-SBR undergoes severe abrasive and erosive wear, characterized by deep and irregular wear tracks, pronounced fluctuations in the dynamic friction coefficient, and strong sensitivity to load and sliding speed, particularly during the initial stages of track formation. In contrast, VMQ exhibits mild abrasive wear dominated by viscoelastic deformation, leading to shallow and stable wear tracks, lower friction coefficients, and significantly reduced material loss once the contact track is fully developed. These differences are attributed to the distinct mechanical responses of the elastomers, as the higher hardness and limited strain capacity of rubber promote micro-tearing and unstable material removal, while the high elasticity of silicone enables stress redistribution and stable contact conditions under abrasive loading. UV aging increases stiffness of rubber, resulting in reduced wear and friction, while silicone remains largely unaffected after 750 h due to the stability of its Si–O–Si backbone. Self-friction tests further indicate that smooth silicone sliding against rubber yields the lowest friction values, highlighting a favorable material pairing for detachable tread concepts. Factorial design analysis confirms material type as the dominant factor influencing both wear and friction. Overall, for the specific materials and operating conditions investigated, VMQ demonstrates higher durability, greater tribological stability, and improved aging resistance compared to NR-SBR, providing experimental evidence that supports its potential for long-life, more sustainable detachable tread applications. Full article