Interfacial behavior and molecular insights into adhesion between metallurgical slag and bitumen for sustainable asphalt pavements

Catalytic vs. thermal Si-H crosslinking polydimethylsiloxane (PDMS) elastomers: Network heterogeneity drives interfacial performance.

Interfacial behaviors and multi-dimensional regulation of clay minerals: Mechanisms of gas hydrate formation and frontiers in energy-environment applications

Interface synergy in aqueous Pickering foams: Effects of food gums and sodium Caseinate on the interfacial properties of fat crystal.

Study on mechanical response and meso-scale behaviour of pile-soil interface under traffic loading

Interfacial assembly behavior of temperature-controlled surface-activated fat crystals at oil/water interfaces: characterization, interfacial dynamics, and emulsion-stabilizing capabilities

Interfacial wettability evolution in underground hydrogen storage: Key factors, multiscale effects, and challenges.

Study on the interfacial shear behavior of steel-UHPC glued composite decks

How water models influence the interfacial organization of oxysterol epimers: A comparative simulation study using TIP3P and OPC.

A novel numerical method for finite difference modeling of FRP-concrete interfacial behavior and applications

The effect of iron on the interfacial behavior of ethoxylated ethers with different structures and sodium oleate during the flotation of phosphate ores

Cu2+ mediated interfacial behavior and co-adsorption mechanisms of ciprofloxacin on mesoporous-confined magnetic biochar

Ultra-weak fiber Bragg grating (UWFBG) sensors are increasingly applied in asphalt pavement monitoring; however, the quantitative criteria for their vertical placement based on deformation coordination remain insufficient. This study investigates the deformation coordination mechanism between UWFBG sensors and the asphalt mixture under different vertical embedding positions. Three mesoscale finite element beam models with sensors embedded at the top (T), middle (M), and bottom (B) positions were established to simulate the lateral strain field evolution, core lateral tensile strain response of the UWFBG sensor, and interfacial mechanical behavior under three-point bending loading. To quantitatively evaluate the deformation compatibility, a weighted deformation coordination index was constructed by integrating the lateral tensile strain change rate of the UWFBG core (representing strain response sensitivity), the interface damage degree, and the interface opening displacement. A weight sensitivity analysis was performed to ensure the consistency of the result ranking. The results demonstrate that the vertical embedding position of the UWFBG sensor not only affects its own lateral tensile strain response, but also alters the lateral strain redistribution within the asphalt mixture beam, the migration of the neutral surface, and the damage development at the UWFBG sensor–asphalt mixture interface. The UWFBG sensor embedded at the bottom (B) position induces the most pronounced tensile strain amplification and neutral surface migration in the surrounding asphalt mixture, whereas the sensors embedded at the middle (M) and top (T) positions exhibit faster degradation of the UWFBG sensor–asphalt mixture interface or limited strain amplification, resulting in lower deformation coordination levels. Overall, the bottom-embedded configuration exhibits the strongest strain amplification, with the highest peak lateral tensile strain of the UWFBG core. The deformation coordination index (Ic) of the bottom configuration at the later loading stage is approximately 0.42, which is higher than that of the middle (0.37) and top (0.31) configurations. The consistent ranking under different weight combinations confirms the robustness of the evaluation work and identifies the bottom-embedding configuration as the most favorable arrangement for strain monitoring.

Recognition of biomolecular phenomena at interfaces is a key scientific challenge with fundamental and practical importance. In this work, we discover two structurally similar amino acids, glutamic acid (Glu) and aspartic acid (Asp), showing different biological functions, have a significant but distinct orientational coupling with liquid crystals (LCs). Combining experiments with density functional theory calculations, we reveal that Glu and Asp exhibit unique adsorption-desorption dynamics at the LC-aqueous interfaces, producing distinct macroscopic optical signals. These interfacial behaviors are specifically governed by pH condition of the aqueous solution because the pH variations cause significant changes in charge states of the amino acids and thus their intermolecular interactions with LCs. Additionally, the dynamics are also modulated by the presence of other biological molecules (e.g., bacterial byproducts of Salmonella lipopolysaccharide, Staphylococcus aureus lipoteichoic acid, and Escherichia coli lipopolysaccharide) forming complexes with the amino acids, which dramatically change the LC's optical response. Leveraging this specific recognition mechanism for the interfacial dynamics of biomolecules and their interactions with other biological species, we also demonstrate the practical LC systems that autonomously recognize and optically report Salmonella at trace concentrations (102 cfu/ml) within 1 min, significantly faster than the conventional methods (PCR and ELISA) requiring several hours.

The goal of carbon neutrality requires the development of low-cost, high safety, and high energy density secondary batteries. The comprehensive integration of zeolites into battery design is expected to meet these key requirements. Based on highly adjustable molecular sieve effect, ion conductivity, catalytic properties, etc., goal-oriented zeolite can adapt to inherent differentiation and distinctive expectations of battery components, which achieves solvent structure regulation, stable interface construction, solid-state electrolyte optimization/construction, electrode storage mechanism regulation, etc., thereby improving various battery performance. Therefore, a comprehensive review is essential to reveal the universal applicability and multifunctionality of zeolites in batteries. This review first summarizes the structures, classifications, properties and synthesis route, and the application roadmap of zeolites is systematically described in chronological order. Most importantly, based on the elucidation of zeolite-involved physical and electrochemical behavior in electrolytes, interface, electrode, and separators optimization, we systematically analyze the structure-property-performance relationship and design principles of zeolite-integrated batteries. In addition, the scientific deficiencies, engineering challenges and possible future research directions of zeolite-integrated secondary batteries are summarized and discussed in depth. This review aims to provide guidance and new perspectives for the future research and application of emerging zeolite-based batteries.

Monitoring and discrimination of molecular behavior in isomers remain a longstanding challenge due to similar chemical compositions, although they have functionally critical differences. Due to the consistent demand for molecular design/structural analysis in research fields and reaction/quality control in industrial fields, the identification of isomeric pairs is essential. However, conventional analytical techniques, including nuclear magnetic resonance and mass spectrometry, require destructive processes or large-scale sample volumes, limiting their applicability to on-chip or simple analysis with accessibility. Here, we propose a graphene-integrated terahertz metasurface platform that enables nondestructive and on-chip constitutional isomer discrimination, along with monitoring over interfacial molecular behavior with a nanogram scale limit of detection. By covering a graphene layer onto a nanoslot cavity array of the metasurface, a floated graphene monolayer can be utilized as an active probing pad with the assistance of extreme terahertz field confinement. With high sensitivity toward the interfacial state of the graphene surface, constitutional isomers with different electronic properties can be comprehensively distinguished via both the graphene-analyte interaction rate and the graphene conductivity change. The proposed platform features label-free isomer discrimination and interfacial interaction monitoring through a one-shot process implemented within a 6 mm square compact metasurface using under 20 μL of sample solution. This configuration benefits from compatibility for electrical measurement in addition to optical analysis in a nondestructive manner, with promising potential for molecular isomer characterization and behavior tracking.

ABSTRACT As the primary binding phase in cement-based materials, the nanoscale structure and interfacial behaviour of calcium silicate hydrate (C-S-H) gel directly influence its mechanical properties and durability. Traditional experimental techniques are limited by their inability to resolve temporal and spatial scales, thereby hindering the comprehensive observation of transient phenomena such as ion migration, chemical bond reconstruction, and interfacial reactions. Molecular dynamics (MD) simulations offer atomic-scale spatiotemporal resolution, enabling the reproduction of dynamic processes in cement hydration, including water molecule diffusion in gel pores, ion distribution in the electrical double layer, and interfacial atomic bonding. These capabilities provide an intuitive understanding of C-S-H gel's intrinsic properties. This review traces the representative evolution of C-S-H structural models and outlines the key structural features identified. Based on above structure models, the mechanical behaviour of C-S-H and the ion adsorption & chemical bonding mechanisms at the interface with electrolyte and solid phase were explored.

Numerical implementation of crack propagation remains an open question, being the subject of numerous previous studies and proposed numerical methods. The numerical manifold method (NMM) is one approach enabling modelling of displacement discontinuities across crack surfaces by employing two independent grid systems (or 'covers'). In this study, building on NMM, particle-grid mapping in the material point method (MPM) is interpreted in a manifold-consistent manner. Distinct from the conventional one-way information transfer from the mathematical cover to the physical cover within the Eulerian view in NMM, the MPM framework for crack propagation is constructed under a hybrid Eulerian-Lagrangian view and features bidirectional information transfer between particles and grids. On this basis, rocks containing closed flaws are discretized by material points, and a two-stage contact algorithm is used to capture the interfacial contact behaviour. Modelling crack propagation is realized through a conversion mechanism governed by the Drucker-Prager yield condition.Comparisons between numerical results and experimental observations indicate that the proposed method effectively predicts the development of cracks. This study provides a rigorous mathematical interpretation for the background grid and material points in MPM from the perspective of NMM and offers a novel strategy for the numerical modelling of crack propagation within NMM.

ABSTRACT The micellar and interfacial behavior of amphiphilic antidepressant drugs that is, amitriptyline hydrochloride (AMT), imipramine hydrochloride (IMP), chlorpromazine hydrochloride (CPZ) and desipramine hydrochloride (DSP) were investigated by using surface tension and fluorescence techniques at 300 K. The CMC values of all drugs were determined by conductivity meter at different temperatures (300 K–320 K). The critical micellar concentration (CMC), surface excess concentration (Γ max ), minimum surface area per molecule ( A min ) and surface pressure at CMC (π CMC ), Stern‐Volmer constant ( K sv ), degree of micellar ionization (α), the Gibbs free energy of micellization (Δ G ○ m ), the Gibbs free energy of adsorption (Δ G ○ ads ), Gibbs free energy at the air/water interface (G s min ), standard enthalpy of micellization ) the standard entropy of micellization ) are important interfacial and thermodynamic parameters have also been determined. The result shows that the CMC values of drugs are obtained in increasing order CPZ<AMT<IMP<DSP. Drug‐adsorption at the air‐water interface is indicated by high surface excess concentrations and low minimum areas per molecule, especially for CPZ hence lower CMC values are observed than AMT, IMP and DSP. Aggregation number ( Nagg ) analysis revealed larger, tighter micelles for CPZ, whereas fluorescence analysis verified micelle formation and revealed compact micellar structures. The negative values of of micellization and Gibbs free energy of adsorption are shown the micellization is spontaneous. The negative values of of the systems indicate the process is exothermic. The values of were found to be positive in all cases. The results also provide valuable insights into the self‐assembly and interfacial behavior of amphiphilic antidepressant drugs, which is essential for comprehending their interactions at biological interfaces and bioavailability.

To elucidate the mechanisms by which the hydrophobic hydrocarbon chain length of emulsifiers and the surface properties of aggregates influence the adhesive performance at the emulsified asphalt–aggregate interface, this study employed molecular dynamics simulations to construct interface models. Key parameters, including relative concentration, diffusion coefficients, and interfacial adhesion work, were systematically analysed to reveal the intrinsic effects of imidazoline-type emulsifier chain length and aggregate type on interfacial behaviour. The results indicate that increasing the hydrophobic chain length of the emulsifier suppresses the adsorption of emulsified asphalt at the aggregate interface. The diffusion coefficients of both emulsifier and asphalt molecules initially increase and subsequently decrease with chain length, with the non-polar asphalt components (aromatics and saturates) exhibiting greater sensitivity to chain length variations. Moderate extension of the hydrophobic chain enhances interfacial adhesion work, whereas exceeding the optimal chain length reverses this trend, weakening adhesion. Aggregate surface properties exert a significant influence on interfacial behaviour. Compared with the acidic SiO2 (0 0 1) surface, the basic CaCO3 (1 0 4) surface exhibits lower peak relative concentrations of emulsified asphalt, reduced sensitivity to variations in emulsifier chain length, lower molecular diffusion coefficients, and stronger interactions with asphalt molecules, resulting in superior interfacial adhesion. This study provides a molecular-level theoretical basis for the targeted design of emulsifier structures and the efficient adaptation of emulsified asphalt to different aggregate systems.