Interfacial Properties Research Articles

Mechanical Properties of Interfaces between Mg and SiC: An Ab Initio Study

Covalently bonded particles may exhibit extremely high strength, but their performance in the reinforcement of metal alloys crucially depends on the properties of their interfaces with the embedding matrix. Here, density functional theory is used for investigating a range of interface configurations between magnesium and silicon carbide in view of their mechanical properties. Interfaces are analyzed not only in terms of interface energy/work of separation but also in terms of the interfacial shear stresses required to induce interface-parallel displacements. These properties are studied for bilayer systems with different orientations of the Mg and SiC layers and for different terminations of the SiC layer (Si or C atoms located at the interface). The results are discussed in terms of their implication for mechanical behavior of SiC reinforced Mg alloys.

Improved performance of inorganic CsPbI3 perovskite solar cells with WO3/C60 UTL bilayer as an ETL structure: a computational study

CsPbI3, also known as cesium lead iodide, has garnered significant attention as a potential absorber in perovskite solar cells (PSCs). CsPbI3-PSCs have not matched the high performance of hybrid PSCs. This study aimed to identify an effective combination of charge transport layers. Six-hole transporting layers (HTLs) including Spiro-OMeTAD, Cu2O, CuO, CuAlO2, CuSbS2, and SrCu2O2, as well as five electron transporting layers (ETLs) such as TiO2, WO3, ZnO, IGZO, and CdZnS, were tested separately in 30 PSCs. The findings of this research indicate that CuAlO2 as the HTL and WO3 as the ETL that are the most appropriate materials among the options examined, so we use FTO/WO3/CsPbI3/CuAlO2/Au as a required PSC. In this research, we used SCAPS (Solar Cell Capacitance Simulator)−1D device modeling to investigate the bilayer ETL of inorganic CsPbI3-PSC and discover the methods to improve their efficiency. In planar PSCs, optimizing electron–hole pair extraction and recombination at the ETL/perovskite interface is crucial for achieving high performance. The key concept is to enhance the WO3/perovskite interface properties by adding a 5 nm ultra-thin layer (UTL) of C60. The bilayer structure WO3/C60 was found to have the advantage of high electron extraction and low interfacial recombination, primarily due to more effective energy level alignment and defect passivation. To achieve the superior efficiency of PSC, various factors such as defect and doping densities in all layers, the energy level alteration of ETL and HTL, interface defect densities on both ETL and HTL sides, back metal contact, operating temperature, and parasitic resistances were optimized. After optimizing these parameters, the efficiency of the system containing WO3/C60 bilayer ETL was found to be 29.39%. The current work proposes a straightforward and promising method to create photovoltaic devices, especially for many types of perovskites, with desirable charge transport layers and recombination properties.

Experimental study on the interface characteristics of geogrid-reinforced gravelly soil based on pull-out tests.

The factors influencing geogrid-soil interface characteristics are critical design parameters in some geotechnical designs. This study describes pull-out tests performed on gravelly soils commonly encountered in the Xinjiang region and reinforced with two types of geogrids. The factors affecting the geogrid-gravelly soil interface properties are investigated with different experimental loading methods (pull-out velocity, normal stress), geogrid types, and soil particle size distributions and water contents. The ultimate pull-out force increases with the normal stress and pull-out velocity. Furthermore, with increasing coarse particle content and water content, the ultimate pull-out force increases and then decreases sharply. Based on these research results, this paper provides reasonable parameters and recommendations for the design and pull-out testing of reinforced soil in engineering structures. In reinforced soil structure design, the grid depth should be increased appropriately, and the coarse particle content of the overlying soil should be between 30 and 40%. During construction, the gravelly soil should be compacted to the maximum compaction at the optimal water content, and the structure should have a reasonable waterproofing system. According to the calculation results of the interface strength parameters, the uniaxial geogrid-gravelly soil interface has a high cohesive force csg, which should not be ignored in reinforced soil structure design.

Production and characterization of sustainable biocompatible PLA/walnut shell composite materials

AbstractVarious treatments, such as alkaline and silane treatments, are commonly applied to natural fillers before production to enhance their quality, thermal stability, and water absorption capacity and improve the fiber–matrix interface properties. However, these processes are not environmentally friendly and may escalate the production cost of composites due to the need for additional processing steps in mass production. This study delves into the impact of untreated walnut shell (WS) filler material, employed in varying ratios (ranging from 10 to 40%) as a filler, on the mechanical, thermal, morphological, and physical properties of environmentally friendly polylactic acid (PLA) matrix composites. The experimental results highlight a significant decrease in tensile modulus by 28%, tensile strength ranging from 32 to 65%, a decrease in flexural modulus by 22%, and flexural strength ranging from 24 to 58% with varying WS filler ratios. Time-dependent water absorption and increased density were observed. FT-IR analysis indicates structural similarities, while DSC results show minimal effects on glass transition temperature and crystallinity. TGA results reveal reduced thermal stability with increasing WS content. SEM microstructure imaging demonstrates homogeneous WS particle distribution, but higher WS content leads to increased brittleness and diminished resistance properties. In conclusion, this study underscores the importance of balancing sustainability through WS filler ratios while preserving mechanical performance.

Moiré superlattice effects on interfacial mechanical behavior: A concise review

AbstractThe moiré superlattice, arising from the interface of mismatched single crystals, intricately regulates the physical and mechanical properties of materials, giving rise to phenomena such as superconductivity and superlubricity. This study delves into the profound impact of moiré superlattices on the interfacial mechanical behavior of van der Waals (vdW) layered materials, with a particular focus on tribological properties. A comprehensive review of continuum modeling approaches for vdW layered materials is presented, accentuating the incorporation of moiré superlattice effects in theoretical models to unravel their distinctive interfacial frictional behavior and thermodynamic properties. The exploration of moiré superlattices has significantly advanced our fundamental understanding of interface phenomena in vdW layered materials. This progress provides crucial theoretical insights that can inform the design of multifunctional devices based on the unique properties of twisted layered materials.

Microcell and macrocell corrosion kinetics of steel bars in reinforced concrete slabs subjected to alternate wet and dry environments

Electrochemical kinetics of steel bar corrosion in concrete is of complex nature, especially when it is subjected to alternate wet and dry environments with changes in conditions of steel-concrete interface and rust properties. In this paper, a quantitative electrochemical mechanism was proposed based on thermodynamics and anodic polarisation kinetics to account for variations of microcell and macrocell current densities in reinforced concrete (RC) slabs subjected to periodic wetting and drying cycles. Effects of environmental conditions on corrosion process were incorporated into anodic Tafel slope through three quantifiable parameters, namely, corrosion potential, linear polarisation resistance and ferrous ion concentration at the steel bar surface. A numerical model was established based on the proposed mechanism to quantify microcell and macrocell current densities. An experimental programme of two RC slabs with multiple steel bars arranged at different layers was conducted to verify the numerical model. It shows that the model could reasonably predict variations of both microcell and macrocell corrosion under different wet and dry environments. When concrete was moistened, current density was substantially increased compared to that in dry concrete. Macrocell contribution from uncorroded steel bars at different layers was more significant than microcell corrosion on the corroded bar itself, especially in wet environments.

Ultra-High-Performance Alkali-Activated Concrete: Effect of Waste Crumb Rubber Aggregate Proportions on Tensile and Flexural Properties

The declining availability of natural sand resources and the significant carbon footprint associated with the extensive use of cement are posing severe limitations on the advancement and application of ultra-high-performance concrete (UHPC). In this study, waste tyre-derived recycled crumb rubber particles (CR) were employed to replace quartz sand, and an alkali-activated cementitious material was used to produce waste tyre-alkali-activated UHPC (T-UHPAC). The influence of different CR replacement ratios (0%, 5%, 20%, 35%, 50%) on the tensile and flexural performance of T-UHPAC was investigated, and a predictive model for the stress–strain response considering the CR replacement ratio was established. An optimization method for improving the tensile and flexural performance of T-UHPAC was proposed. The results indicate that the effect of rough-surfaced CR on the interfacial properties of concrete differs from that of smooth quartz sand. A CR replacement ratio exceeding 35% led to a reduction in both the tensile and flexural strengths of UHPAC, while a replacement ratio at or below 20% resulted in a superior tensile and flexural performance of T-UHPAC. The established predictive model for tensile performance accurately forecasts the stress–strain behaviour of T-UHPAC under varying CR replacement ratios, with the accuracy improving as the CR replacement ratio increases. By utilizing CR to replace quartz sand in proportions not exceeding 20%, the production of low-carbon UHPC with exceptional comprehensive mechanical properties is achievable. Moreover, the development of T-UHPAC through the comprehensive utilization of waste tyres presents a promising and innovative approach for the low-carbon and cost-effective production of UHPC, thereby facilitating the sustainable development of natural resources. This research represents a significant step towards the widespread adoption and application of UHPC and thus holds substantial importance.

The Electrocatalytic Activity of Au Electrodes Changes Significantly in Various Na+/K+ Supporting Electrolyte Mixtures

The potential of maximum entropy (PME) is an indicator of extreme disorder at the electrode/electrolyte interface and can predict changes in catalytic activity within electrolytes of varying compositions. The laser‐induced current transient technique is employed to evaluate the PME for Au polycrystalline (Aupc) electrodes immersed in Ar‐saturated cation electrolyte mixtures containing potassium and sodium ions at pH = 8. Five cation ratios (0.5 M K2SO4:0.5 M Na2SO4 = 0:1, 0.25:0.75, 0.5:0.5, 0.75:0.25, and 1:0) are explored, considering earlier studies that unveil cation‐dependent shifts at near‐neutral pH. Moreover, for all electrolyte compositions, electrochemical impedance spectroscopy is utilized to determine the double‐layer capacitance (CDL), the minimum of which should be close to the potential of zero charge (PZC). By correlating cation molar ratios with the PMEs and PZCs, the impact on the model oxygen reduction reaction (ORR) activity, assessed via the rotating disk electrode method, is analyzed. The results demonstrate a linear relationship between electrolyte cation mixtures and PME, while ORR activity exhibits an exponential trend. This observation validates the PME–activity link hypothesis, underscoring electrolyte components’ pivotal role in tailoring interfacial properties for electrocatalytic systems. These findings introduce a new degree of freedom for designing optimal electrocatalytic systems by adjusting various electrolyte components.

EZNS: Elastic Zoned Namespace for Enhanced Performance Isolation and Device Utilization

Emerging Zoned Namespace (ZNS) SSDs, providing the coarse-grained zone abstraction, hold the potential to significantly enhance the cost-efficiency of future storage infrastructure and mitigate performance unpredictability. However, existing ZNS SSDs have a static zoned interface, making them in-adaptable to workload runtime behavior, unscalable to underlying hardware capabilities, and interfering with co-located zones. Applications either under-provision the zone resources yielding unsatisfied throughput, create over-provisioned zones and incur costs, or experience unexpected I/O latencies. We propose eZNS, an elastic-zoned namespace interface that exposes an adaptive zone with predictable characteristics. eZNS comprises two major components: a zone arbiter that manages zone allocation and active resources on the control plane, a hierarchical I/O scheduler with read congestion control, and write admission control on the data plane. Together, eZNS enables the transparent use of a ZNS SSD and closes the gap between application requirements and zone interface properties. Our evaluations over RocksDB demonstrate that eZNS outperforms a static zoned interface by 17.7% and 80.3% in throughput and tail latency, respectively, at most.

Study on the regulation mechanism of interfacial mechanical properties of carbon fiber reinforced aluminum foam sandwich interface

Carbon fiber (CF) is often used to enhance the interfacial properties of porous metal sandwich panel, however, the regulation mechanism on the mechanical properties of the reinforced interface is not clear, which affects its guidance in application. In this study, the regulation mechanism of CF on the mechanical properties of aluminum foam sandwich (AFS) interface was studied from the perspectives of morphology and chemistry. Results showed the effects of CF modification time, modification temperature and content on the interface properties were synergistic. The interfacial strength increased and decreased afterwards as the modification time or temperature or content increased. Fibers aggregation caused by excessive fiber addition could decrease the interface strength. Self-locking and fiber bridging were the dominant reinforced modes and their effects increased as appropriate addition content increased. Guided by the results, the shear strength of AFS interface increased by 79.18 %, the energy absorption increased by more than four times.

Numerical Investigation on the Capability of Modeling Approaches for Composite Cylinders under Low-Velocity Impact Loading

Composite pressure vessels can be exposed to extreme loadings, for instance, impact loading, during manufacturing, maintenance, or their service lifetime. These kinds of loadings may provoke both visible and invisible levels of damage, e.g., fiber breakage matrix cracks and delamination and eventually may lead to catastrophic failures. Thus, the quantification and evaluation of such damages are of great importance. Considering the cost of relevant full-scale experiments, a numerical model can be a powerful tool for such a kind of study. This paper aims to provide a numerical study to investigate the capability of different modeling methods to predict delamination in composite vessels. In this study, various numerical modeling aspects, such as element types (solid and shell elements) and material parameters (such as interface properties), were considered to investigate delamination in a composite pressure vessel under low-velocity impact loading. Specifically, solid elements were used to model each layer of the composite pressure vessel, while, in another model, shell elements with composite layup were considered. Compared with the available experimental data from low-velocity impact tests described in the literature, the capability of these two models to predict both mechanical responses and failure phenomena is shown.

Effect of polyphenylene sulfide sulfone sizing agent on interfacial, thermal, and mechanical properties of carbon fiber

AbstractPolyphenylene sulfide sulfone (PPSS) was synthesized by one‐step method and utilized as a sizing agent for carbon fibers. The effects of various monomer ratios, reaction time, and reaction temperature were investigated on the molecular weight of PPSS. The thermal analysis revealed that the product PPSS exhibited a glass transition temperature exceeding 215.5°C, indicating exceptional thermal stability. After PPSS sizing treatment, the grooves on the surface of carbon fibers were filled, resulting in a substantial enhancement of the microinterface properties. The surface energy was increased by 8.2%, while the maximum weight loss temperature was 27.8% higher than that of the commercial carbon fiber. The tensile strength of the carbon fiber after heat treatment reached 2196 MPa, representing a 45.9% increase over that of the commercial carbon fiber.

Influence of elevated temperatures on the bond performance of CFRP-steel lap joints bonded by nanosilica-modified adhesive with mixed curing agents

Elevated temperatures may influence greatly the mechanical properties of adhesives, and it is difficult for adhesives with a single curing agent to meet the requirements of adequate heat resistance and toughness simultaneously. First, this paper proposes a nano-SiO2-modified epoxy adhesive (GY34) using mixed curing agents to improve the bond performance of CFRP-steel joints at a high temperature. Then, studies are taken to examine the impact of elevated temperatures on the mechanical performance of GY34 with mixed curing agents and the interfacial properties of CFRP-steel double-lap joints bonded by GY34. After that, models are developed to predict the bearing capacity and bond-slip of CFRP-steel double-lap joints at different temperatures using the test data. The results indicate the toughness is optimal at 70 °C when the curing agents C105 and D230 are mixed with a mass ratio of 1:2. The bearing capacity of the CFRP-steel lap joint bonded with GY34 is much higher than the cases only bonded with a single C105 or D230, respectively. Moreover, the load-displacement curve has a significant ductile development stage as the temperature rises below the glass transition temperature (Tg, S), beyond which, the bearing capacity declines. In addition, the length of shear stress transmission and the effective bonding length increase significantly at high temperatures. The bond-slip curve bonded with GY34 has a trilinear trapezoid shape at different temperatures, and the peak shear stress and stiffness decline at various elevated temperatures. Finally, the relative slip and interfacial fracture energies increase first and then decrease with the rise of temperature.

Improving Interfacial and Compressive Properties of Polyimide Fiber by Constructing Inorganic Layers on Fiber Surface.

The compressive performance of organic fiber has always been a key problem, limiting its development. In this paper, silicon oxide, alumina, and titanium oxide particles were separately deposited on the surface of high-strength and high-modulus polyimide (PI) fibers to form a structural supporting shell by using a magnetron sputtering method. The theoretical thickness was calculated by thermogravimetric analysis in good agreement with the actual thickness determined from scanning electron microscopy. The mechanics, surface, and interface properties of the measured fibers were analyzed mainly from the aspects of surface energy, interfacial shear strength (IFSS), and compression strength. The results showed that after magnetron sputtering, the inorganic shells were uniformly deposited on the surface of PI fiber, resulting in an increase in the content of inorganic elements as well as the roughness. As a result, the surface energy and IFSS of silica-coated fiber was increased by 174 and 85.6%, respectively, and compression strength was increased by 45.7%. This study provides a new approach for improving the interface property and compression strength of high-strength and high-modulus PI-fiber-reinforced composites.

Nanoscopic Interfacial Hydrogel Viscoelasticity Revealed from Comparison of Macroscopic and Microscopic Rheology.

Deviations between macrorheological and particle-based microrheological measurements are often considered to be a nuisance and neglected. We study aqueous poly(ethylene oxide) (PEO) hydrogels for varying PEO concentrations and chain lengths that contain microscopic tracer particles and show that these deviations reveal the nanoscopic viscoelastic properties of the particle-hydrogel interface. Based on the transient Stokes equation, we first demonstrate that the deviations are not due to finite particle radius, compressibility, or surface-slip effects. Small-angle neutron scattering rules out hydrogel heterogeneities. Instead, we show that a generalized Stokes-Einstein relation, accounting for an interfacial shell around tracers with viscoelastic properties that deviate from bulk, consistently explains our macrorheological and microrheological measurements. The extracted shell diameter is comparable to the PEO end-to-end distance, indicating the importance of dangling chain ends. Our methodology reveals the nanoscopic interfacial rheology of hydrogels and is applicable to different kinds of viscoelastic fluids and particles.

Interfacial shear and elongational rheology of immiscible multi-micro-nanolayered polymers: contribution for probing the effect of highly mismatched viscoelastic properties and modeling interfacial tension properties

Interfacial shear and elongational rheology of immiscible multi-micro-nanolayered polymers: contribution for probing the effect of highly mismatched viscoelastic properties and modeling interfacial tension properties

Adsorption Layer Properties and Foam Behavior of Aqueous Solutions of Whey Protein Isolate (WPI) Modified by Vacuum Cold Plasma (VCP)

For years, cold plasma processing has been used as a non-thermal technology in industries such as food. As interfacial properties of protein play a remarkable role in many processes, this study investigates the effect of cold plasma on the foaming and interfacial behavior of WPI. The objective of this study is to evaluate the effect of different gases (air, 1:1 argon–air mixture, and sulfur hexafluoride (SF6)) used in low-pressure cold plasma (VCP) treatments of whey protein isolate (WPI) on the surface and foaming behavior of aqueous WPI solutions. Dynamic surface dilational elasticity, surface tension isotherms, surface layer thickness, and the foamability and foam stability were investigated in this study. VCP treatment did not significantly affect the adsorption layer thickness. However, an increase in induction time, surface pressure equilibrium value, and aggregated size is observed after SF6VCP treatment, which can be attributed to the reaction of WPI with the reactive SF6 species of the cold plasma. The surface dilational elastic modulus increased after VCP treatment, which can be related to the increased mechanical strength of the protein layer via sulfonation and aggregate formation. VCP treatment of WPI increases the foam stability, while the average diameter of foam bubbles and liquid drainage in the foam depends on the gas used for the cold plasma.

Superspreading of Polyelectrolyte Complex Solution for Constructing Hydrogel Coatings on Diverse Substrates

AbstractInjectable hydrogels have emerged as versatile materials with potential applications in various fields, including biomedicine, lubrication, adhesion, surface coatings, and tissue engineering. However, the critical aspect of spreading and wetting on various substrates, which is essential for obtaining significant interfacial properties, has not been adequately addressed. This work presents an approach to prepare hydrogel coatings on kinds of substrates through the superspreading of polyelectrolyte complex solution during its liquid‐liquid phase inversion process. Due to the low interfacial tension, the solution spreads and wets various surfaces underwater driven by osmotic pressure, improving the contact area and interface integration. Combined with the simultaneous sol‐gel transition through electrostatic interaction, it forms a stable and homogeneous hydrogel coating. The hydrogel coating possesses control thickness (4–8 µm), improved hydrophilicity (CA decrease from 102° to 10°), interfacial toughness (increase from 70 to 455 J m−2), and lubrication performance (coefficients of friction decrease from 0.712 to 0.112). The work provides an excellent opportunity to investigate the spreadability and wettability in a water/water/solid three‐phase system and develop functional hydrogel coatings for various applications.

Experimental and Theoretical Insights into Interfacial Properties of 2D Materials for Selective Water Transport Membranes: A Critical Review.

Interfacial properties, such as wettability and friction, play critical roles in nanofluidics and desalination. Understanding the interfacial properties of two-dimensional (2D) materials is crucial in these applications due to the close interaction between liquids and the solid surface. The most important interfacial properties of a solid surface include the water contact angle, which quantifies the extent of interactions between the surface and water, and the water slip length, which determines how much faster water can flow on the surface beyond the predictions of continuum fluid mechanics. This Review seeks to elucidate the mechanism that governs the interfacial properties of diverse 2D materials, including transition metal dichalcogenides (e.g., MoS2), graphene, and hexagonal boron nitride (hBN). Our work consolidates existing experimental and computational insights into 2D material synthesis and modeling and explores their interfacial properties for desalination. We investigated the capabilities of density functional theory and molecular dynamics simulations in analyzing the interfacial properties of 2D materials. Specifically, we highlight how MD simulations have revolutionized our understanding of these properties, paving the way for their effective application in desalination. This Review of the synthesis and interfacial properties of 2D materials unlocks opportunities for further advancement and optimization in desalination.

Surface and Aggregation Properties of Rhamnolipids in Water–Bioethanol Mixtures: A Step toward Green Formulation Design

Water–ethanol mixtures are largely exploited for many different applications, from industrial processes to pharmaceutical formulations. Surfactants are often added to tune their interfacial properties. Sustainability concerns require redesigning such blends to minimize their environmental impact. A successful approach is to replace synthetic oil-based components with affordable unpurified bio-derived alternatives. In this respect, we have characterized aqueous mixtures of bioethanol, obtained by the fermentation of algae, and rhamnolipids, biosurfactants of microbial origin. The physico-chemical characterization of water–bioethanol binary mixtures in terms of refractive index, density, viscosity, and surface tension indicates that bioethanol behaves like pure ethanol with negligible effects of impurities. Analysis of tensiometric titrations shows that, at bioethanol contents higher than 20–30% bioethanol mass percent, rhamnolipid aggregation is impaired, whereas surface adsorption at the water–air interface remains poorly affected. Overall, bio-derived components can be proposed as a promising alternative to oil-derived chemicals in eco-sustainable formulations.