Interfacial Model Research Articles

Tuning Interfacial Characteristics of Epoxy Composites Towards Simultaneous High Thermal and Dielectric Properties

AbstractAchieving excellent thermal and dielectric performance is crucial to prevent premature insulation failure of epoxy in high‐frequency transformers. However, interfaces introduced by embedding micro/nano fillers in epoxy have opposite effects on these properties. Here, the interfacial characteristics of micro‐BN/nano‐Al2O3 epoxy is tailored composites by modifying nano‐Al2O3 with functional amine groups, leading to simultaneous improvements in thermal conductivity and high‐frequency breakdown strength. After modification, thermal conductivity increased from 0.193 to 0.490 W m−1 K−1 at 25 °C, and breakdown strength improved from 85.4 to 94.8 kV mm−1 at 10 kHz. The findings revealed the coexistence of overlapping interfaces between micro‐BN and chemical interfaces between modified Al2O3‐NH2 and matrix in composites. Contrary to the overlapping interface, the chemical interface played a more pivotal role in macroscopic performance. Calculations based on a covalent bonding interfacial model demonstrated that this in‐situ tight interface facilitated phonon transport, thereby enhancing thermal conductivity. Besides the physical structure, an increase in electrostatic potential in the chemical interface also impeded charge migration, resulting in an improved breakdown strength. The synergistic effect of the chemical interface on thermal and dielectric properties presents a promising design strategy for developing high‐performance epoxy composites.

A cohesive fracture-enhanced phase-field approach for modeling the damage behavior of steel fiber-reinforced concrete

This study introduces a novel computational framework based on the phase-field fracture/damage model (PFM), providing rapid and accurate predictions of the damage behavior of Steel Fiber Reinforced Concrete (SFRC) material. The framework integrates the interfacial cohesive fracture model with the PFM to depict the interaction between the cementitious matrix and fibers, marking the first demonstration that this model adequately captures both local fracture phenomena between fibers and concrete (such as fiber bridging and interfacial debonding) and mesoscopic stress–strain behavior. Additionally, an enhanced geometric approximation is established based on the spatial distribution density function of fibers and particles, allowing for the transformation of the three-dimensions (3-D) fiber-reinforced material structure into an equivalent two-dimensions (2-D) material. This approach enables the reduction of computational time, a significant limitation of the phase-field method, thereby allowing an in-house code to perform various computations with complex material structures such as SFRC. The effectiveness of the approach is demonstrated through four examples involving variations in the microgeometry and material properties of SFRC structures, ranging from the simplest configurations to real experimental material structures. Extensive Monte Carlo simulations of the model are also employed to provide results closer to reality, which are then compared with recent experimental data and numerical models, demonstrating the efficacy of the proposed computational model.

Interfacial shear behavior of salt freeze-thaw pre-damaged NC with ECC: Experimental and theoretical investigations

This study aims to clarify the interfacial shear behavior of salt freeze-thaw pre-damaged normal concrete (NC) with engineered cementitious composite (ECC). A comprehensive analysis was conducted to study the effects of the cycle number, interfacial roughness, and ECC curing age on the interfacial shear performance. The results showed that, as the cycle number increased, the interfacial shear strength decreased to varying degrees. The optimal interfacial roughness was 5.5mm, and further increasing roughness would decrease the interfacial shear stiffness. When the ECC curing age was 7 days, it had already reached 85% of the interfacial shear strength of specimens cured for 28 days. Additionally, considering the effects of cycle number and interfacial roughness, an interfacial shear strength calculation model and a shear-slip curve prediction model were established, providing a valuable reference for the engineering application of ECC repair for salt freeze-thaw damaged NC.

Fabrication and High Dielectric Properties of Sandwich-Structured Ba0.6Sr0.4TiO3/Polyvinylidene Fluoride Layered Composites with Multiscale Parallel Interfaces.

Ba0.6Sr0.4TiO3/polyvinylidene fluoride (BST/PVDF) dielectric functional composites have been widely used in flexible wearable devices, capacitors, and energy storage devices. In addition to the ceramic phase type, polymer matrix type, composition, and interfacial connectivity of BST/PVDF composite materials, their morphology also significantly influences their electrical characteristics. Therefore, herein, sandwich-structured BST/PVDF layered composites were designed and prepared via tape-casting processing using different types of BST fillers [i.e., formless zero-dimensional (0D)-BST, rod-like one-dimensional (1D)-BST, and plate-like two-dimensional (2D)-BST]. The microstructures and electrical characteristics of sandwich-structured BST/PVDF composites were studied in relation to the BST morphology. The effects of the internal mechanisms of different interfacial models on the breakdown strength of BST/PVDF composites were discussed. According to our findings, unlike the 0D-BST and 1D-BST powders, 2D-BST powders form multiscale parallel interfaces in sandwich-structured composites due to their unique lamella-like morphology, which enhances the breakdown strength of sandwich-structured composites. Sandwich-structured BST/PVDF composites containing 2D-BST powders exhibit good electrical characteristics with an energy storage density of 19.71 J/cm3, an energy storage efficiency of 85.3%, a dielectric constant of 30.4 (1 kHz), a dielectric loss of 0.036 (1 kHz), and a dielectric tunability of 93.2%. This study provides a method for preparing functional composites with high dielectric tunability and high energy storage characteristics.

Ultralow Concentration Nonflammable Electrolytes Mediated by Intermolecular Interactions for Safer Potassium‐Ion Sulfur Batteries

AbstractDesigning electrolytes that are compatible with graphite anodes and possess flame‐retardant features is strongly demanded in potassium‐ion batteries (PIBs) to inhibit solvent co‐insertion and graphite exfoliation, and also stabilize the highly active potassium‐based species (e.g., KC8). Herein, a nonflammable electrolyte is designed by introducing the fluoroethers to stabilize graphite anodes, particularly at an ultralow concentration (<0.43 m) that is rarely reported before. It is discovered that intermolecular interactions can form between the 1,1,2,2‐tetrafluoroethyl‐2,2,3,3‐tetrafluoropropyl ether (i.e., HFE) diluent and trimethyl phosphate (TMP) flame‐retardant by electronegative fluorine (δ−F) and electropositive hydrogen (δ+H). The intermolecular interactions can change the potassium ion (K+) solvation structure (e.g., weakening the K+‐TMP interaction), and then determine the properties of the K+‐solvent‐anion complex at the electrode interface. a molecular interfacial model is presented with a new coordination mechanism involving the diluent to elucidate the relationship between the intermolecular interactions and electrode performance (i.e., K+‐solvent co‐insertion, or reversible K+ (de)intercalation) at the molecular scale, facilitating the design of high safety and high energy density potassium‐ion sulfur batteries. This study sheds light on the importance of intermolecular interactions to tune electrolyte properties and also opens new avenues for designing electrolytes for safe and practical PIBs.

Analysis of foaming mechanism and adhesion of foam rubberised asphalt from the perspective of molecular scale

ABSTRACT Rubberised asphalt faces challenges such as viscosity and construction energy consumption. These problems can be ameliorated by the use of foaming technology. However, existing studies lack a microscopic-level understanding of the foaming mechanism and interfacial properties of foam rubberised asphalt. Therefore, this study used molecular dynamics simulation methods to establish foam rubberised asphalt models and interface models. The models were analysed from the aspects of model density, energy change, molecular agglomeration behaviour and adhesion work. Results revealed that increased temperature and water consumption caused difficulties in the volumetric compression of the model. The diffusion and aggregation behaviour of water molecules altered the distribution of other molecules in the model, effectively reducing the viscosity of the rubberised asphalt without affecting the chemical structure. In the interfacial model, water molecules contribute to the migration of asphalt molecules to the mineral surface, which exists in two forms: aggregating within asphalt and diffusing to the interface. The interface water molecules enhance the electrostatic interaction between asphalt and minerals. However, due to the random nature of water molecule diffusion, it is difficult to form a regular layer of water molecules at the interface, which leads to failure of the adhesion work.

Two-group interfacial area concentration model for dispersed gas-liquid flows in large-diameter pipes

Interfacial area concentration (IAC) plays a critical role in heat and mass transfers between gas and liquid phases through the interfaces. As interfacial area increases, mass and heat transfers between phases increase. Hence, a reliable IAC estimation is important for two-phase flow numerical simulations to conduct engineering designs and safety analyses. Gas bubbles show different behavior according to their shapes and sizes. Based on the size, gas bubbles can be classified into two groups that show different characteristics, such as IAC. Hence, two-group modeling helps to achieve a general approach for estimating the IAC in bubbly to beyond-bubbly flow regimes. Available models in the literature use empirical correlations to obtain group one and group two void fractions. These empirical approaches are not reliable for different flow conditions. In addition, these models are usually complex with several empirical constants. This study aims to develop a two-group area-averaged IAC model for upward vertical dispersed flows through large-diameter pipes. In addition, this study proposes using a general approach based on the two-group drift-flux model to calculate two-group void fractions rather than applying empirical correlations. The models are evaluated using 156 two-group measured data points in dispersed flow conditions through large-diameter pipes. The resulting prediction errors for group one and group two IAC models are 24.1 % and 34.2 %, and the errors for group one and group two void fraction predictions are 22.8 % and 25.6 %, respectively.

Structural, electrical, leakage current, and magnetic characteristics of double perovskite Nd2NiTiO6

AbstractThis study investigates the structural, electrical, leakage current, and magnetic characteristics of the double perovskite material Nd2NiTiO6 synthesized through the sol–gel citrate auto‐ignition method. The Rietveld refinement of the X‐ray diffraction patterns confirmed a monoclinic symmetry (space group P21/n) with an ordered arrangement of alternate NiO6 and TiO6 octahedra. Impedance spectroscopic analysis exhibited the material's non–Debye‐type relaxation mechanism and semi‐conductive nature. AC conduction analysis revealed that the conduction of charge carriers occurs via the nonoverlapping small polaron hopping mechanism, consistent with Mott's variable range hopping model. Temperature‐ and frequency‐dependent dielectric measurements were interpreted using the Maxwell–Wagner interfacial polarization model. The analysis of thermal‐ and field‐dependent leakage currents established that conduction is ohmic, which the Schottky barrier model explains. Studies on magnetization ruled out the presence of magnetic ordering connected to indirect interaction between Ni2+ ions via Ti4+ ions and the rare‐earth cation (Nd3+) moment.

Long-term effects including shrinkage and interfacial creep on bond behavior of concrete-filled steel tubes (CFST): Experiment and design

Concrete-filled steel tubes (CFST) are widely used in significant projects due to their high performance stemming from full utilization of combined material advantages. The interfacial bond behavior is the foundation of their high performance, but will deteriorate during the long-term service. Due to the difficulties on carrying out long-term experiments and decoupling the multi-constitutive component bond strength including chemical adhesion, micro-interlocking and friction, there is still a lack of research on long-term interface constitutive models, restricting the safe design of CFST structures throughout their full-lifecycle. Here, push-out tests were carried out on CFST specimens considering long-term effects spanning 850 days including concrete age and duration of long-term interfacial load. The steel plate-concrete specimens, reversed push-out tests and interfacial normal pressure calculation were used to decouple the components of bond stress. the CFST interface database considering long-term effects was established and the mechanism of long-term effects have been revealed. As the duration increases, the bond stress decreases at the beginning, and thereafter stabilizes where the friction component dominates. Compared to that without interfacial load, long-term interfacial load accelerates the damage to chemical adhesion and micro-interlocking at initial stage, but the difference of their effects on bond stress is not significant in the later stage. On this basis, a long-term interfacial constitutive model for its full-lifecycle safe design and a simplified numerical method for long-term effects on bond behavior have been proposed.

Target Recognition-Triggered Interfacial Electron Transfer Model: Toward Signal-On Photoelectrochemical Aptasensing for Efficient Detection of Staphylococcus aureus Using Ti3C2Tx-Au NBPs/ZnO NR Composites.

Staphylococcus aureus (S. aureus) is one of the most common foodborne pathogens worldwide, which poses a great threat to public health. It is of utmost importance to develop rapid, simple, and sensitive methods for the determination of S. aureus. A signal-on photoelectrochemical (PEC) aptasensor is constructed herein based on titanium carbide (Ti3C2Tx)-Au nanobipyramids (NBPs)/ZnO nanoarrays (NRs). The reliability and capability of the PEC aptasensor make it suitable for the sensitive and selective determination of S. aureus. First, the electrostatically self-assembled Ti3C2Tx-Au NBP nanomaterial was coated on the ZnO NR surface by a spin-coating method. On the one hand, Ti3C2Tx-Au NBPs can broaden the spectral absorption of ZnO NRs, resulting in Ti3C2Tx-Au NBPs/ZnO NR composites that exhibit a wide range of absorption from the ultraviolet to the infrared region. On the other hand, Ti3C2Tx can reduce the agglomeration of nanoparticles, while Au NBPs can effectively fix the aptamer through the Au-S bond. Specifically, the experimental results show that when S. aureus is present, the Au NBPs-aptamer-S. aureus complex is shed from the electrode surface, altering the interfacial electron transfer model and reducing the steric hindrance. Consequently, an amplified photocurrent signal for the quantitative determination of S. aureus is obtained. Under optimal experimental conditions, a linear correlation is observed between the current response of the aptasensor and the logarithm of the S. aureus concentration (ranging from 1.0 to 1.0 × 106 CFU/mL), with an impressive detection limit as low as 0.5 CFU/mL. Furthermore, the aptasensor has been successfully employed for the detection of S. aureus in milk, with the recovery of 93.0%-99.0%. Hence, this research offers a novel approach for the detection of foodborne pathogens and other noxious substances.

Research Progress in Dielectric Properties of Inorganic Two‐Dimensional Nano‐Fillers Polyvinylidene Fluoride Nano‐Dielectric Materials

Two‐dimensional (2D) nanofillers can effectively improve the performance of nano‐dielectrics by having larger aspect ratios and larger electron‐scattering interfaces than one‐dimensional (1D) nanofillers and zero‐dimensional (0D) nanofillers; the formation of a large interfacial area in the polymer matrix effectively traps or scatters the mobile charges and increases the curvature of the propagation paths of the electric tree, thus effectively increasing the breakdown strength and the energy‐storage density of nanodielectrics. In this article, the intrinsic mechanism of 2D nanodielectrics is elaborated using percolation theory, microcapacitance theory, interfacial model, and ping‐pong racket model. Surface modification, oriented alignment, and multilayer structural design are reviewed to enhance the dielectric properties of nanodielectrics. Additionally, an outlook on the multiple challenges and potential opportunities in the process of preparing energy‐storage capacitors with excellent performance is provided.

Overlooked challenges of interfacial chemistry upon developing high energy density silicon anodes for lithium-ion batteries

Evaluation of silicon (Si) anode performance by the assembled Si||Li half-cells is the primary approach in the development of high-energy-density lithium-ion batteries (LIBs). However, most studies focus solely on the variations of Si anode, the stability of electrolyte on the lithium (Li)-metal counter electrode has been overlooked. Herein, we discovered that the acquired cell performance not only depends on the Li+ (de-)solvation behaviors on the Si anode surface but also was affected significantly by the lithiation overpotential caused by the side reactions on the Li electrode. It is significant to identify this point, as these influences of electrolyte decomposition on the Li electrode have been previously regarded as an integral part of side reactions on the Si anode. We proposed a new perspective of the electrolyte solvation structure and electrode interfacial model to unravel the interfacial behaviors on the Si and Li electrodes respectively. The identified differences in the Li+ solvation and (de-)solvation behaviors not only provide reasons for the varied electrolyte stability in different electrolytes but also interpret the superior performance in tetrahydrofuran (THF)-based electrolytes. This study underscores the importance of understanding electrolyte behavior at the interfaces of individual electrodes to discern the reliability of electrode performance and also introduce a novel principle for designing superior electrolytes for high-energy-density LIBs.

Electrochemical-mechanical coupled interfacial degradation model of Ternary polymer composite cathodes in all-solid-state batteries

Despite significant attention focused on the composite cathode composed of active particles, which is considered to increase the interfacial areas and satisfy high areal load, suffers from interfacial issues. In this article, we formulate an electrochemical-mechanical model of LiNixMnyCozO2 (NMC) composite cathode coupling the relations between interfacial degradation, charge transformation, diffusion transport, and mechanical deformation under cyclic loads. Based on the transition state theory, we regard the interfacial degradation as an energy barrier dependent on the interfacial debonding state. Physical mismatch due to chemical expansion results in interfacial current distinction, anisotropic Li diffusion and excessive local stress. Compared to single-crystal NMC particles, the effect of interfacial separation and internal cracks triggers an extremely nonuniformity of Li distribution within random orientation polycrystalline-type particles. The external pressure in the range of operation can cause mechanical deformation to fill in the interface vacancies, which effectively alleviates the rapid growth of damage and provides a better cyclic performance. Moreover, soft polymer-based solid electrolytes take advantage of their flexible property to deal with solid-solid contact, providing considerable maintenance of interface stability. This present framework reveals the failure mechanism with electrochemical-mechanical coupled relations for composite cathode materials and broadens the design guidance toward improving interfacial integrity.

Holistic approach for sequential transesterification and pyrolysis of microalgal biomass: Kinetic and thermodynamic analysis of pyrolysis using model-free and model-based approaches

Due to the renewability and sustainability, biofuels derived from algae are considered as competitive substitutes for fossil fuels. Present study investigated a holistic approach for sequential transesterification and pyrolysis of microalgal biomass, i.e. Chlorella minutissima. This study explores the complete utilization of algal biomass through sequential chemical (transesterification) and thermochemical (pyrolysis) processes. First, the lipids were extracted and converted to eco-friendly biodiesel using catalytic route. Then lipid-extracted microalgae were pyrolyzed via thermogravimetric analyzer at four heating rates, namely 5, 10, 20 and 30 °C/min. The model-free isoconversional Kissinger-Akahira-Sunose (KAS), Flynn-Wall-Ozawa (FWO), and Vyazovkin models were used to analyze the kinetics and thermodynamics of algal pyrolysis. The activation energy obtained for the pyrolysis of Chlorella minutissima utilizing KAS, FWO and Vyazovkin were 146.78, 148.86, 147.11 kJ/mol, respectively. Positive ΔH values from KAS, FWO, and Vyazovkin show an endothermic nature of the process. The mean ΔH was found to be 142.81, 143.97, and 142.82 kJ/mol, while the ΔG was 151.9, 152.20, and 161.40 kJ/mol, respectively for KAS, FWO, and Vyazovkin approaches, at 10 °C/min heating rate. Importantly, this study also revealed that the phase interfacial model was the most appropriate model to represent the degradation process using Coats-Redfern method at 5 oC

Atomic insight on the electronic structure and interfacial bonding characterization of the Cu/TiC interface

The interfacial bonding characteristics of ceramic reinforced phase and metal matrix in metal matrix composites have a significant impact on their strength. Herein, the interfacial bonding properties and alloy element doping of the Cu/TiC interface in TiC-reinforced Cu matrix composites with a stoichiometric ratio of TiC of 1:1 were investigated by atomistic DFT simulations. The analysis of twelve Cu/TiC interfacial models reveals that the TiC(111) in Cu/TiC interface with C-terminated is more stable than that of TiC(111) interface with Ti-terminated due to the stronger covalent bonds formed by Cu-C. The Cu(110)/TiC(111)-C interface with the highest work of adhesion (2.871 J/m2) is the most stable interface among these Cu/TiC interfaces. Moreover, the Cu-Co/TiC interface has the highest Wad (4.223 J/m2) compared to Cu/TiC, Cu-Ni/TiC, and Cu-Zn/TiC interfaces. And the Cu-Zn/TiC interface has the lowest Wad (2.092 J/m2), which is even lower than that of the Cu/TiC interface (2.306 J/m2). During interfacial tension, the Cu/TiC, Cu-Ni/TiC, and Cu-Zn/TiC interfaces start to fracture either at the interface layer or the sub-interface layer on the Cu side, while the Cu-Co/TiC interface begins to fracture within the Cu slab. The Cu-Co/TiC interface has the highest tensile strength of 20.12 GPa at14 % strain compared to Cu/TiC (14.76 GPa), Cu-Ni/TiC (16.35 GPa), and Cu-Zn/TiC (15.30 GPa) interfaces, which is attributed to the strengthening of both the interface and sub-interface by Co doping. Thus, Co doping in the Cu matrix significantly strengthens the Cu/Ti interfacial bonding, Ni doping has a weaker strengthening effect, and zinc doping weakens the interfacial bonding.

Interfacial bond-slip of horizontally embedded CFRP strips and concrete considering the effect of the groove depth-to-width ratio

Concrete structures with shallow grooving depths require minimal adjustments to accommodate horizontal near-surface-mounted (NSM) carbon fibre-reinforced polymer (CFRP) strips. This method proves advantageous in minimizing damage to reinforced concrete structures, establishing itself as an effective reinforcement technique. To delve into the interfacial performance of the horizontal CFRP strip reinforcement, single shear pull-out testing is utilized to analyze and compare the interfacial bonding performances of concrete specimens reinforced with external bonding (EB), NSM, and horizontal NSM CFRP strips. The study also explores the influence of groove depth-to-width ratio on the interfacial bonding performance of horizontal NSM CFRP strip reinforcement. An interfacial bond-slip principal structure model of horizontal NSM CFRP strips and concrete is established, factoring in the groove depth-to-width ratio. Subsequently, the proposed interfacial bond-slip model is validated through finite element numerical simulation. The results show that the horizontal NSM CFRP strips reinforcement method exhibits commendable bonding capacity and interfacial bond stiffness. Within a specific range of groove widths, increasing the groove depth-to-width ratio diminishes the distance between the peak bond shear stress location and the loading end of the horizontal NSM CFRP strip-reinforced specimens. This improves the interfacial bonding performance between the horizontal NSM CFRP strips and concrete. The theoretical curve derived from the interfacial bond-slip principal structure model aligns well with test data across all reinforced specimens. FEM numerical simulations based on this interface bond-slip principal structure model demonstrate minor relative errors compared to experimental values. Furthermore, the theoretical distribution curve of CFRP strip strain closely follows the measured distribution curve. This model concerning the bond-slip principal structure of the interface between horizontal NSM CFRP strips and concrete, accounting for the groove depth-to-width ratio, exhibits applicability and stands as a valuable reference for practical engineering applications.

Adhesion, Stability and Electronic Properties of Ag/SnO2 Interface from First‐Principles Calculation

AbstractThe interfacial bonding state between each oxide and the silver matrix in AgCuOIn2O3SnO2 electrical contact materials remains unclear. To address this, first‐principles calculations using density‐functional theory are employed to establish the low‐index surfaces of Ag and SnO2 and perform convergence tests. Computational results reveal that the Ag (111) surface and the SnO2(110)‐O surface exhibit the highest stability among their respective low‐index surfaces. Consequently, these surfaces are chosen to form the interfacial model, and their atomic structure, adhesion work, and interfacial energies are systematically analyzed. The results demonstrate that the stability and interfacial bonding strength of the Ag(111)/SnO2(110)‐O interface are high, exhibiting metallic properties and strong conductivity. Moreover, at an interface spacing of d0 = 2.4 Å, the interface stability is optimal. The redistribution of charge at the interface induces significant changes in the local atomic density of states, particularly noticeable in the Ag and O atoms. Additionally, the Ag/SnO2 interface is predominantly bonded through ionic interactions, contributing to its robust bonding.

Interfacial area transport modeling of air–water bubbly two-phase flows in inclined orientations

The present work develops closure models for the interfacial area transport equation for inclined-upward bubbly two-phase flows. This includes frictional pressure drop through a Lockhart-Martinelli method; void fraction and void-weighted gas velocity through a drift-flux analysis; and covariance of bubble interaction mechanisms through a novel void-fraction distribution reconstruction method. Bubbly flow data collected in a 25.4 mm air–water test facility for five angles (0°, 30°, 60°, 80°, and 90°) is used for the development and evaluation of the models. The novel void reconstruction models are able to predict the covariance of bubble interaction terms within ±30%, and the transport of interfacial area can be predicted within 9 %.

Water-rock interfacial softening model of cemented soft rock: An experimental and numerical study

Cemented soft rock is prone to softening when exposed to water, and its mechanical properties deteriorate rapidly, which is an important reason to induce the instability and failure of engineering soft rock mass. The softening mechanism of soft rock is essentially the deterioration of microstructure caused by the change of water-rock interface. Considering the general characteristics of soft rock, the microstructural evolution characteristics and element loss over varying immersion time are then compared and analyzed. The Interfacial Cemented Bonding (ICB) structure is proposed to describe the evolution of water-rock interface. Based on the diffusion theory, the theoretical equation describing the evolution of water-rock interface is derived and compared with the experimental results. The meso-softening damage factor (MSDF) of soft rock is proposed and introduced into a numerical method to establish a strength degradation discrete element method (SD-DEM) model. The results show that the softening process of soft rock is accompanied by the shedding and suspension of particles and the dissolution of soluble substances. Besides, the softening of soft rock has obvious nonlinear dynamic characteristics. The fitting degree between the theoretical values and the experimental results is relatively high, which verifies the reliability and rationality of the dissolution-diffusion interfacial softening model. The numerical results are in good agreement with the experimental ones. This study provides a new idea for understanding the mechanism of water-induced softening characteristics and strength degradation of soft rock.

Thermodynamic and Kinetic Behaviors of Electrolytes Mediated by Intermolecular Interactions Enabling High-Performance Lithium-Ion Batteries.

Electrolyte solvation chemistry regulated by lithium salts, solvents, and additives has garnered significant attention since it is the most effective strategy for designing high-performance electrolytes in lithium-ion batteries (LIBs). However, achieving a delicate balance is a persistent challenge, given that excessively strong or weak Li+-solvent coordination markedly undermines electrolyte properties, including thermodynamic redox stability and Li+-desolvation kinetics, limiting the practical applications. Herein, we elucidate the crucial influence of solvent-solvent interactions in modulating the Li+-solvation structure to enhance electrolyte thermodynamic and kinetic properties. As a paradigm, by combining strongly coordinated propylene carbonate (PC) with weakly coordinated cyclopentylmethyl ether (CPME), we identified intermolecular interactions between PC and CPME using 1H-1H correlation spectroscopy. Experimental and computational findings underscore the crucial role of solvent-solvent interactions in regulating Li+-solvent/anion interactions, which can enhance both the thermodynamic (i.e., antireduction capability) and kinetic (i.e., Li+-desolvation process) aspects of electrolytes. Additionally, we introduced an interfacial model to reveal the intricate relationship between solvent-solvent interactions, electrolyte properties, and electrode interfacial behaviors at a molecular scale. This study provides valuable insights into the critical impact of solvent-solvent interactions on electrolyte properties, which are pivotal for guiding future efforts in functionalized electrolyte engineering for metal-ion batteries.