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The phase behavior of block copolymers (BCPs) at the water-oil interface is influenced by the segmental interaction parameter ( χ${\chi }$ ) and chain architecture. We synthesized a series of star block copolymers (s-BCPs) having polystyrene (PS) as core and poly(2-vinylpyridine) (P2VP) as corona. The interaction parameters of block-block ( χ${\chi }$ PS-P2VP ) and block-solvent ( χ${\chi }$ P2VP-solvent ) were varied by adjusting the pH of the aqueous solution. Lowering pH increased the fraction of quaternized-P2VP (Q-P2VP) with enhanced hydrophilicity. By transferring the equilibrated interfacial assemblies, morphologies ranging from bicontinuous films at pH of 7 and 3.1 to nanoporous and nanotubular structure at pH of 0.65 were observed. The nanoporous films formed hexagonally packed pores in s-BCP matrix, while nanotubes comprised Q-P2VP as corona and PS as core. Control over pore size, d-spacing between pores, and nanotube diameters was achieved by varying polymer concentration, molecular weight, volume fraction and arm number of s-BCPs. Large-scale nanoporous films were obtained by freeze-drying emulsions. Remarkably, the morphologies of linear BCPs were inverted, forming hexagonal-packed rigid spherical micelles with Q-P2VP as core and PS as corona in multilayer. This work provides insights of phase behaviors of BCP at fluids interface and offer a facile approach to prepare nanoporous film with well-controlled pore structure.

Ferroelectric HfO 2 -based materials have attracted extensive attention in the research of next-generation nonvolatile memories and logic devices due to their superior scaling properties and compatibility with the CMOS process. However, forming the ferroelectric metastable phase in the thin films of a few nanometers requires clamping of the top and bottom electrodes. As a result, the interface can significantly impact domain structure and polarization, leading to imprinting effects and non-uniform space charge distribution. Here, we have demonstrated how the interface affects the ferroelectric polarization in Hf 0.5 Zr 0·5 O 2 (HZO) thin films produced by ALD and the physical mechanisms behind it. We found that by regulating the quantity of oxygen vacancy content at the top and bottom interfaces of TiN/HZO/TiN ferroelectric capacitors, it is possible to achieve inversion of polarization orientation. By using a spherical aberration-corrected transmission electron microscope and first-principles calculation, we identified that the internal electric field generated by the accumulation of oxygen vacancies at an interface and the asymmetrical electrostatic energy of the interfacial T-phase layer jointly play a role in the ferroelectric polarization orientation. Our results will significantly help the interface engineering of HfO 2 -based ferroelectric thin films and devices. [ABSTRACT FROM AUTHOR]

In this study, a model was proposed to interpret the tensile strength of the nanocomposite systems based on the percolation and scaling theories. Using the Excluded Volumes method made it possible to characterize the reaction mechanism of the system by discretizing all sections of the system in the best way possible. Accordingly, the system was divided into two sections A and B, consisting of either fully dispersed, aggregated, or agglomerated nanoparticles using a percolation parameter (F). The stress concentration factor was introduced to the model based on the available surface area determining the share of each section in affecting the tensile strength of the system. A validation procedure was performed to verify the obtained results using the experimental results of our recent work for a High‐density polyethylene nanocomposite system containing 0.5, 0.75, and 2 wt% of the surface‐modified silica nanoparticles. The investigations indicate the capability of the proposed model to interpret the physical/mechanical characteristics of the nanocomposite systems. It was found that despite the negative impact of the agglomeration on the tensile strength of the system, the aggregation phenomenon enhanced the tensile strength due to the formation of strong networks in its structure. Highlights: Interpreting the tensile strength of nanocomposites via excluded volume theory.Dividing the impacts of dispersed and clustered nanoparticles.Discretizing the effects of aggregation and agglomeration on final properties. [ABSTRACT FROM AUTHOR]

Solid‐state batteries are compelling candidates for next‐generation energy storage devices, promising both high energy density and improved safety, by utilizing metallic Li as the negative electrode. However, they suffer from poor cyclability and rate capability, which limits their wide application. Degradation in these devices occurs through complex mechanical, chemical and electrochemical pathways, all of which produce heterogeneous deformation fields. Therefore, isolating solid‐state degradation mechanisms, and explicitly linking them to the associated deformation fields requires a multimodal characterization strategy. Here, a novel 3‐D, in situ methodology for linking degradation to deformation in solid‐state cells is presented. X‐ray imaging is used to measure the morphological degradation, and combined with X‐ray diffraction to quantify (electro)chemical aspects. Finally, the heterogeneous stress fields from these various pathways are mapped in situ. This heterogeneity is shown globally, from the interface to the bulk electrolyte, as well as locally, around features such as cracks and voids. Through these analyses, it is possible to delineate the effects of solid electrolyte processing, cell assembly, and cycling on the end‐of‐life state of the cell. Moreover, the importance of stress mitigation in these cells is highlighted, with mean stresses around the interface and some cracks comfortably exceeding the elastic limit of Li. [ABSTRACT FROM AUTHOR]

Grazing‐incidence small‐angle neutron scattering (GISANS) under pressure (HP‐GISANS) at the solid (Si)–liquid (D2O) interface is demonstrated for the pressure‐induced lateral morphological characterization of the nanostructure in thin (<100 nm) soft matter films. We demonstrate feasibility by investigating a hydrophobic {poly[(2,2,3,3,4,4,5,5‐octafluoro)pentyl methacrylate]} (POFPMA)–hydrophilic {poly[2‐(dimethylamino)ethyl methacrylate]} (PDMAEMA) brush mixture of strong incompatibility between the homopolymers, anchored on Si, at T = 45°C for two pressures, P = 1 bar and P = 800 bar. Our GISANS results reveal nanostructural rearrangements with increasing P, underlining P‐induced effects in tethered polymer brush layers swollen with bulk solvent. [ABSTRACT FROM AUTHOR]

To deepen the fundamental knowledge on the effect of titanium diboride (TiB2) particle interface on thermal conductivity of three different composites with polyethylene matrices (HDPE/TiB2, MDPE/TiB2 and LDPE/TiB2), this paper is devoted to a theoretical approach on the analysis of thermal behaviour of polymer-based composites. This study is based on the Hashin and Shtrikman model, which allows us to determine the thermal conductivity considering an idealized interface between the reinforcing molecules. In addition, the Hasselman and Johnson model is used to evaluate thermal conductivity with an imperfect interface. We mainly discuss the difference between two types of interfaces with the aim of improving the thermal conductivity within the composite material used in this study without altering the mechanical and thermal behaviours. This approach creates new opportunities, especially in manufacturing, to use high-quality composite materials at low-cost and non-destructive. To this end, we have investigated the variations in the effective thermal conductivity of different composites, λeff as a function of volume fraction of the reinforcement (TiB2). In particular, we have emphasized the study on the effective thermal conductivity of the composite, taking into account interactions at the interface between the particles and matrix. Definitely, the random dispersion of spherical particles and cylindrical particles oriented perpendicular to the heat flow is considered. The main conclusion is that the form of particles and the type of interface of the reinforcement drastically affect thermal conductivity of the system under consideration. [ABSTRACT FROM AUTHOR]

Interfaces in metal matrix composites (MMCs) are crucial in determining the mechanical properties and functionality of MMCs. This article reviews recent scientific advances and issues related to MMC interfaces from four different perspectives: interfacial structural design, interfacial defect control, thermodynamics and kinetics of interfacial reactions, and interfacial microstructure properties‐based numerical simulation. The influence of interfacial microstructural features on interfacial strength–toughness trade‐offs and their functionality is given special attention. The interfacial problem is still one of the main challenges to be solved in the composite system, which is mainly reflected in the following aspects: interfacial microstructure–deformation mechanisms in complex systems, precise control of interfacial defects and interfacial reaction products, and the efficient and cost‐effective application of numerical simulation techniques. The integrated computation and intelligent design (artificial intelligence) of composites through multiscale computational simulation with the guidance of "interface design‐property prediction" will be the key area of MMC interface research in the future. [ABSTRACT FROM AUTHOR]

Robots can use auditory, visual, or haptic interfaces to convey information to human users. The way these interfaces select signals is typically pre-defined by the designer: for instance, a haptic wristband might vibrate when the robot is moving and squeeze when the robot stops. But different people interpret the same signals in different ways, so that what makes sense to one person might be confusing or unintuitive to another. In this article, we introduce a unified algorithmic formalism for learning co-adaptive interfaces from scratch. Our method does not need to know the human's task (i.e., what the human is using these signals for). Instead, our insight is that interpretable interfaces should select signals that maximize correlation between the human's actions and the information the interface is trying to convey. Applying this insight we develop Learning Interfaces to Maximize Information Transfer (LIMIT). LIMIT optimizes a tractable, real-time proxy of information gain in continuous spaces. The first time a person works with our system the signals may appear random; but over repeated interactions, the interface learns a one-to-one mapping between displayed signals and human responses. Our resulting approach is both personalized to the current user and not tied to any specific interface modality. We compare LIMIT to state-of-the-art baselines across controlled simulations, an online survey, and an in-person user study with auditory, visual, and haptic interfaces. Overall, our results suggest that LIMIT learns interfaces that enable users to complete the task more quickly and efficiently, and users subjectively prefer LIMIT to the alternatives. See videos here: https://youtu.be/IvQ3TM1_2fA. [ABSTRACT FROM AUTHOR]

We investigate the degradation mechanisms of In0.2Ga0.8N/GaN light emitting diodes through combined experimental analysis and simulations. The devices were submitted to constant current stress at 100 mA. Depending on the measuring current level, two degradation trends were observed: at high test currents (e.g. 200 mA), a monotonic decrease in optical power was observed; at low test currents (e.g. 5 mA), an initial degradation was observed, followed by an improvement in device efficiency (positive ageing). For the first time, such recovery effect was analyzed and modeled, as due to the generation of charged defects at the InGaN/GaN interface, resulting in the increase in the injection efficiency at low bias levels. The role of interface defects was validated by means of numerical simulations, with good agreement with the experimental data. [ABSTRACT FROM AUTHOR]

We present the preparation and investigation of a fluorine‐free surface‐active bis‐N‐heterocyclic carbene (NHC) platinum(II) complex — trans‐[Pt(mPEG3C8Im)2Cl2] — for interface‐enhanced supported ionic liquid phase (SILP) catalysis within a group of (mPEGn)‐substituted ionic liquids (ILs) ([(mPEGn)2Im][A] ILs). The complex was characterized by means of single‐crystal X‐ray diffraction (scXRD) analysis and multinuclear (1H, 13C, 195Pt) NMR spectroscopy, indicating the presence of two almost equimolar syn–anti‐rotamers of the square‐planar complex in solution. Angle‐resolved X‐ray photoelectron spectroscopy (ARXPS) revealed pronounced interface‐accumulation of trans‐[Pt(mPEG3C8Im)2Cl2] in IL solutions of [(mPEG2)2Im][A] (A−=I− and PF6−). [ABSTRACT FROM AUTHOR]

Confronted with the pressing issue of energy scarcity, the development of an economical and potent bifunctional catalyst is of paramount importance. We adopt an interface engineering strategy to modify the surface of NiFe‐LDH nanoplates with O2 plasma treatment. This process enhances the local electric field of NiFe‐LDH, resulting in the formation of a self‐assembled polycrystalline nanowire array on the nanoplate surface. After O2 plasma treatment for 30 min, the NiFe‐LDH‐P30 not only formed a heterostructure with rough surface, but also regulated the exposure of crystal surfaces. Due to the strong interface coupling between the self‐assembled 3D nanoflowers, 2D nanoplates and 1D nanowires, the NiFe‐LDH‐P30 exhibits an excellent structural stability. Moreover, it demonstrated exceptional HER and OER activities in alkaline condition, achieving a low overpotentials of 154 mV and 242 mV at 10 mA cm−2, respectively. Furthermore, NiFe‐LDH‐P30 as the dual‐electrode material for the cathode and anode in the process of water splitting results in a low voltage of 1.63 V at a current density of 10 mA cm−2. Through the strategic application of interface engineering, this work has pioneered a novel approach to the creation of transition metal‐based electrocatalysts, which is benefit to a range of practical energy applications. [ABSTRACT FROM AUTHOR]

The water vapor barrier performance of laminated thin‐film encapsulations (TFEs) is crucial for ensuring the stability of flexible organic light‐emitting diode (OLED) devices. In this study, the effects of interfaces and SiON degradation on the water vapor barrier performance of TFEs consisting of SiNx and SiON by finite‐element simulation are investigated. In the results, it is illustrated that the interface can significantly hinder water vapor transmission, and the interfacial phase of SiON/SiNx is found to be more effective in impeding water vapor transmission compared to that of SiNx/SiON. The barrier property of TFEs can be weakened by SiON degradation due to oxidation under high temperature and humidity. Among the analyzed four structures, 450 nm SiNx/50 nm SiON/450 nm SiNx/50 nm SiON exhibits the best barrier performance due to strongest interface effects and minimal SiON degradation. These simulation results correlate well with experimental reliability tests, validating the simulation model's reliability. In this study, valuable insights into optimizing TFEs designs for enhanced barrier performances in flexible OLED devices are provided. [ABSTRACT FROM AUTHOR]

Atomic force microscopy (AFM) was used to characterize how water capillary forces impact polymer‐substrate adhesion in ambient conditions. We analyzed hydrophobic poly(styrene‐co‐butadiene) interacting with mica, silicon, and graphite substrates, each with distinct surface properties. Using polymer‐coated AFM tips/blank substrates, and vice versa, we explored the roles of water capillary forces and polymer‐substrate interactions on adhesion. When force spectroscopy experiments were conducted using polymer‐coated tips, adhesion was the largest on mica due to substantial water capillary forces between the tip and hydrophilic substrate. However, when using a blank tip and polymer‐coated substrates, the adhesion was largest on graphite and smallest on mica. This is because the blank tip interacted with the same hydrophobic polymer film for each experiment; therefore, water capillary forces had an equal magnitude on each substrate, allowing polymer‐substrate interactions to be compared even within ambient conditions. Moreover, single‐chain desorption events were consistently observed in these force‐distance curves since water capillary forces were significantly reduced. This study elucidated several aspects of how water capillary forces impact polymer‐substrate adhesion, which benefits applications reliant on polymer adhesion in ambient conditions and contributes to the fundamental understanding of polymer interface interactions. [ABSTRACT FROM AUTHOR]

Herein, ex situ wet cleaning and in situ high‐temperature annealing of GaN surfaces prior to low pressure chemical vapor deposition (LPCVD) of the SiO2 gate oxide, aiming at effective SiO2‐GaN interface engineering for channel improvement of metal–oxide semiconductor (MOS) transistors, are investigated. Additionally, the combination of in situ annealing and gate oxide deposition in an LPCVD tool provides the advantage of an industrially preferred batch process. A strong impact of the pretreatments on the interface state density Dit$D_{\text{it}}$ and flatband voltage VFB$V_{\text{FB}}$ of the fabricated n‐type GaN MOS capacitors is demonstrated. Combined HF wet cleaning and NH3$_{3}$ annealing result in a low peak interface state density DitHF+NH3=1.5×1011 cm−2 eV−1$D_{\text{it}}^{\text{HF} &amp;amp;amp;amp;plus; \left(\text{NH}\right)_{3}} = 1.5 \times \left(10\right)^{11} \textrm{ } \left(\text{cm}\right)^{- 2} \textrm{ } \left(\text{eV}\right)^{- 1}$ and a close to ideal C–V curve with a nearly ideal flatband voltage VFBHF+NH3=−0.1 V$V_{\text{FB}}^{\text{HF} &amp;amp;amp;amp;plus; \left(\text{NH}\right)_{3}} = - 0.1 \textrm{ } \textrm{ } \text{V}$. Furthermore, the I–V characteristics exhibit a positive voltage shift of the current onset and substantially reduced I‐V hysteresis, i.e., negligible temporary charging. Physical root causes are assumed to be reduced contamination due to nondestructive yet efficient HF cleaning combined with subsequent high temperatures and the reduction of near‐interface, quasi‐permanent traps due to the saturation of dangling bonds by the annealing in hydrogen‐containing atmosphere. [ABSTRACT FROM AUTHOR]

The ultrathin‐barrier (UTB) AlGaN/GaN heterostructure exhibits great promise as a technology for manufacturing high‐performance normally OFF GaN metal–insulator–semiconductor high‐electron‐mobility transistors (MIS–HEMTs) due to its unique gate recess‐free feature. However, a critical challenge in UTB MIS–HEMTs is the recovery of the 2D electron gas in the access region, particularly with regard to achieving low ON resistance. In this study, a new approach is proposed to address this issue by utilizing a low‐thermal‐budget Al2O3 film grown through atomic layer deposition (ALD). By analyzing the capacitance–voltage characteristic and correlating it with the threshold voltage shift versus dielectric thicknesses for SiNx and Al2O3, high density of positive fixed charges (≈2.382 × 1013 cm−2) is confirmed to be induced at the interface between ALD–Al2O3 and GaN (cap), which is also in good agreement with 1D Poisson simulations of energy band diagrams. The positive charges are probably originated from the interface AlAl bonds revealed by X‐Ray photoelectron spectroscopy analysis. [ABSTRACT FROM AUTHOR]

Ceramic refractory bubbling devices may be applied in the steel ladle to induce the flotation of non‐metallic inclusions to the slag phase. These inclusions have many origins along the steelmaking process and induce a detrimental effect on the mechanical properties of these metals. Therefore, the design of high‐performance ceramic plugs relies on understanding the fundamentals of non‐metallic inclusions captured by the gas bubbles. This study investigated the flotation dynamics of hydrophobic and hydrophilic hollow glass particles through experimentation using a water model and quantifying the particle concentration via light scattering. Both types of particles exhibited a comparable natural flotation removal rate, whereas a 40% increase for hydrophobic particles was observed when introducing 1.1 mm bubbles (at 25 NL/h) enhancing the efficiency from 43.1% to 65.2%. For hydrophilic particles, the efficiency increased from 59.1% to 86.2% when bubbles were injected into the system, whereas the removal rate decreased by 2.1‐fold. The consequence of the practice of inert gas purging to remove non‐metallic inclusions is also discussed. [ABSTRACT FROM AUTHOR]

A novel approach for constructing a machine-learned potential energy surface (MLP) from unlabeled training data is presented. Utilizing neural networks augmented with a pool-based active learning sampling method, a potential energy surface (PES) is developed for the accurate modeling of interfaces of hematite iron oxide and water, fitting the much more expensive density functional theory (DFT). Molecular dynamics simulations were performed using this DFT-based PES to characterize the structural and energetic properties of the system. By utilizing the developed machine learning potential (MLP), it was possible to simulate much larger systems for extended periods of time, which will be important for leveraging machine learning potentials as accurate and pragmatic simulation-led molecular design and prototyping tools whilst preserving the ab initio accuracy. [ABSTRACT FROM AUTHOR]

Due to the relatively different mechanical and physical properties of soils and structures, the interface plays a critical role in the transfer of stress and strain between them. The stability and safety of geotechnical structures are thus greatly influenced by the behavior at the soil–structure interface. It is therefore important to focus on the unique characteristics that set the interface apart from other geomaterials while examining the interface behaviour. Understanding the physical mechanism and modelling principles of these interfaces becomes a crucial step for the secure design and investigation of soil-structure interaction (SSI) issues. Moreover, to deal with this soil-environment interaction problem, the classical soil mechanics formulation must be progressively generalised in order to incorporate the effects of new phenomena and new variables on SSI behaviour. Considering the variety of energy geostructures that are emerging nowadays, it is crucial to comprehend the thermo-hydro-mechanical (THM) behaviour of the interface. The objective of this study is to fill this information gap as concisely as possible. A critical review is provided along with the state-of-the-art information on the thermo-hydro-mechanical behaviour of the soil-structure interface, including testing tools and measurement methods, basic principles and deformation mechanisms, constitutive models, as well as their applications in numerical simulations. This study explains how loading influences the mechanisms at the interface and critically examines the effects of boundary conditions, soil properties, environmental factors, and structure type on the THM behaviour of interface zones between soils and structural elements. The validity and reliability of the interface shear stress-displacement models are also covered in this paper. Lastly, the trends and recent advancements are also recommended for the interface research. [ABSTRACT FROM AUTHOR]

Cities are composed of a varied array of interstices that are often observed as a network of undeveloped, vacant, or leftover spaces and infrastructures. Such conditions, however, little speak on the multifaceted nature of interstitial spaces as in-between domains that can be morphologically heterogeneous, functionally active, and socially constructed; something that expands on the multiple ontologies of interstitiality beyond being vacant, empty, or inert. While acknowledged around their development potentials or as elements of segregation, the physicality of interstices obscures their evolving spatiality between conflict and divide, relationality, and acceptance. This spatiality becomes plausible in post-conflict cities—such as Belfast—where interstitiality takes the form of “interfaces”: complex in-between areas that articulate divided Catholic/Nationalist and Protestant/Unionist communities throughout peacebuilding politics. By taking a phenomenological approach, the spatiality and meanings of Belfast interfaces are scrutinised to find that Belfast interfaces speak on multiple ontologies linked to (i) their evolving spatiality, (ii) their constructed meanings, and (iii) their naturalisation as daily-life transitions that draw on emerging forms of safety, identity, memory, integration, segregation and futurity. Belfast interfaces take the ontological turn of the in-betweenness towards suggesting that the staging of spaces as promoting togetherness can be more illusionary than concrete. [ABSTRACT FROM AUTHOR]

The interfacial microstructure and corrosion behavior of oxide dispersion strengthening (ODS) FeCrAl alloy with 20 wt% Cr (e.g. 20Cr ODS FeCrAl alloy) exposed to static oxygen-saturated lead-bismuth eutectic (LBE) at 450 °C for 20 h, 40 h, 60 h, 80 h and 100 h as exposure time respectively have been investigated. The results show that multilayer corrosion films of 20Cr ODS FeCrAl alloy can exist at the corrosion interface. Due to formation of protective scales, the primary corrosion mechanism of 20Cr ODS FeCrAl alloy in LBE is oxidation rather than dissolution and penetration of liquid LBE. Specially, the spinel-shaped nano-sized dense external layer without any microcracks is obviously observed. Moreover, the dense and compact scale with micron-meters, i.e. Al-rich Fe-Cr spinel, generates at interface as the middle layer to effectively defend inward diffusion of oxygen and penetration of LBE. Meanwhile, a reinforced and continuous internal layer mixed with Cr2O3 scale and the ferrite inner oxidation zone (IOZ) existing in the form of the interlocking interface between the layers and the substrate can further promote the adhesion between corrosion layers and the substrate of 20Cr ODS FeCrAl. [ABSTRACT FROM AUTHOR]

Here, a combination of dopamine self‐polymerization and epoxy modified SiO2 (M‐SiO2) grafting was proposed, with the purpose of increasing interfacial adhesion of UHMWPE fiber. Inspired by mussel adhesion, polydopamine (PDA) was deposited onto the surface of UHMWPE fiber to form a thin layer with amino and hydroxyl groups. M‐SiO2 nanoparticles were then adhered to fiber surface via chemical reactions by a “two‐step” or “one‐step” technology. In the “two‐step” technique, the M‐SiO2 nanoparticles were adhered to the surface of PDA modified UHMWPE fiber via reactions between epoxy and amino groups. In the “one‐step” method, M‐SiO2 and dopamine were added into the UHMWPE/Tris solution at the same time. Surface morphology and thermal properties of various UHMWPE fibers were tested by SEM and TGA, respectively. Surface wettability of different UHMWPE fibers were evaluated by dynamic contact angle. The results proved that PDA and M‐SiO2 were successfully adhered to the surface of UHMWPE fibers. The mechanical property of modified UHMWPE/Epoxy composites was investigated, and 43.7 % improvement was obtained, compared with unmodified UHMWPE/Epoxy composite. Additionally, micro‐bond test revealed that the interfacial property (IFSS value) of modified UHMWPE fiber via the “one‐step” method was 6.08 MPa, significantly higher than that of unmodified UHMWPE fiber (2.47 MPa). [ABSTRACT FROM AUTHOR]

The cysteine and alkanethiol adsorption on Au(111) surfaces is investigated using density functional theory (DFT) and classic molecular dynamics (MD). Understanding the S–Au interaction across different scales poses major challenges. DFT provides atomic‐level precision but it hardly provides insight on nanosecond scale dynamics of this interface. Alternatively, MD, although it enables modeling larger systems for longer periods, its accuracy heavily relies on the parameterization of the force fields (FF). To address this, an MD potential is fitted using DFT calculations, bridging the gap in accuracy and efficiency. At the DFT level, it is found that PBE with DFT‐D3 reproduces complex approaches at a fraction of the computational cost. Separating PBE and DFT‐D3 contributions reveals consistent PBE energy across molecules (chemisorption), while dispersion varies (physisorption). Thus, the interaction energy of cysteine and two short‐chain alkanethiols is calculated to parameterize both Morse and Lennard–Jones (LJ) potentials. The parameterization improves the potential energy in the preferred adsorption sites: the threefold hcp and fcc with respect to the previous proposals in the literature. Furthermore, the transferability is here demonstrated. At last, these results show that LJ potentials outperform more complex Morse potentials. The procedure is general, and the codes and supporting inputs are publicly available, allowing swift generation of potential energy surfaces (PES) at the DFT level, and fitted LJ or Morse potentials to any molecular interface. [ABSTRACT FROM AUTHOR]

Enhancing fiber surfaces through in situ growth of nanomaterials is known to improve fiber composite properties by enhancing the interface between the fiber and matrix. In this study, hydrothermal processes are used to achieve two types of interfacial modification for carbon fiber: zinc oxide nanowires (ZnO NWs) and nickel‐based metal–organic frameworks (MOF). The interfacial strengths are evaluated using single fiber push‐in tests via nanoindentation and the interfaces are analyzed through dynamic modulus‐mapping. It is found that ZnO modification increases the interface strength by 9.40%, while MOF modification yields an even higher improvement of 16.34%. The load‐displacement plots exhibit distinctive inflection points, elucidated through microstructural observations. Examining the modulus map of the interface region, a transition in the storage modulus from the fiber to the matrix is identified. A capillary flow‐based model is developed to explain the resin penetration through nanoscale features. The findings reported here indicate that the timescale for resin absorption is significantly shorter than the curing timescales for the surface modifications explored in this study. [ABSTRACT FROM AUTHOR]

The advancement of conventional lithium–sulfur batteries (LSBs) is hindered by the shuttle effect and corresponding safety issues. All‐solid‐state lithium–sulfur batteries (ASSLSBs) substitute the liquid electrolytes with solid‐state electrolytes (SEs) to completely isolate the cathode and anode, thereby effectively suppressing polysulfide migration and growth while significantly enhancing energy density and safety. However, the development of ASSLSBs is accompanied by several challenges such as the formation of Li dendrites, electrode degradation, poor interfacial wettability, and sluggish reaction kinetics, etc. This review systematically summarizes the recent advancements made in ASSLSBs. First, a comprehensive overview of the research conducted on advanced cathodes utilizing sulfur (S) and lithium sulfide (Li2S) is displayed. Subsequently, the SEs are classified and discussed that have been implemented in ASSLSBs. Furthermore, the issues of interfaces and anodes in ASSLSBs are analyzed. Finally, based on current laboratory advancements, rational design guidelines are proposed for each component of ASSLSBs while also presenting four practical recommendations for facilitating early commercialization. [ABSTRACT FROM AUTHOR]

The utilization of perovskite oxide as a catalyst for aqueous reactions is promising but challenging in stability. Here, we propose an in situ growth strategy that constructs an ultrathin protective skin on the Sr0.9Fe0.81Ta0.09Ni0.1O3‐δ perovskite surface and thus effectively solves the stability issue. Using a spherical aberration‐corrected transmission electron microscope, we observe the coexistence of an angstrom‐scale (~7 Å) Fe2O3 protective skin and FeNi alloy nanoparticles. A number of alloy nanoparticles grow along with the skin and uniformly take root on the skin surface. Such a hierarchical structure can reconstruct the surface electronic structure and suppress the ion leaching of perovskite oxide in water. Benefiting from this unique structure, the catalyst has experienced a substantial increase (800 h, more than three orders of magnitude) in its stable operation time in water (for example, in a hydrogen evolution reaction). These results provide valuable insight into solid‐solid phase transitions and have substantial implications for using structural defects at surfaces to modulate mass transport and transformation kinetics. Our strategy is sufficiently simple and can be used to subtly manipulate the catalyst structures to improve the performance of perovskite‐based catalysts and potentially other oxide catalysts for a wide range of reactions. [ABSTRACT FROM AUTHOR]

In this study, the strain field evolution mechanism of laser-repaired 304 stainless steel /In718 heterogeneous structure was studied using EBSD technique. The results show that the strain concentration in the repaired zone is much smaller than that in the substrate zone. As the laser power increases from 900 W to 1100 W, the strain concentration in the repaired zone and the substrate zone increases significantly. The different strain concentration in the repaired region and the substrate region is mainly related to the increase of lattice distortion, dislocation density and temperature gradient. In addition, because the grains with different orientations have different Taylor factor, and therefore, grain orientation is also key factor affecting the strain concentration. [ABSTRACT FROM AUTHOR]

Ge‐rich GeSbTe chalcogenide alloys have gained significant attention in the field of phase‐change materials due to their remarkable thermal stability and thus their suitability for integration in nonvolatile memories targeting embedded automotive applications. Herein, the effects of different encapsulating materials on the evolution and on the crystallization kinetic of N‐doped Ge‐rich GeSbTe films are focused on. These films are annealed with temperatures compatible with the back‐end‐of‐line of the complementary metal‐oxide‐semiconductor (CMOS) fabrication. First, it shows how the encapsulation layer thickness should be tuned in order to protect the layer from oxidation and at the same time to avoid delamination phenomena. TaN, C, TiN, SiC, and SiN used as encapsulating layers are compared. The segregation and crystallization of Ge‐rich GeSbTe alloys appear more homogeneous in the case of C, TiN, and SiC. On the contrary, the effects of an interfacial heterogeneous nucleation in the case of TaN and SiN are observed. It results in a different final morphology of the chalcogenide layer after annealing depending on the encapsulation, with different grain sizes and kinetic of phase separation. [ABSTRACT FROM AUTHOR]

The introduction of a graphene (Gr) buffer layer between a ferromagnetic substrate and a metallorganic molecule is known to mediate the magnetic coupling between them, an effect attributed to a weak hybridization between graphene and molecule. In this paper, we present experimental evidence of this effect through a detailed investigation of the frontier electronic properties of iron phthalocyanine deposited on cobalt‐supported graphene. Despite being physisorbed, the molecular adsorption on Gr/Co induces a sizeable charge transfer from graphene to the molecular macrocycle leading to the partial occupation of the LUMO and the appearance of an energetically localized hybrid state, which can be attributed to the overlap between the graphene pz state and the molecular macrocycle. Graphene is not inert either; the adsorption of the molecule induces doping and alters the Fermi velocity of both the hybrid minicone state and the Dirac cone. Similar effects are observed when the molecular periphery is decorated with fluorine atoms, known for their electron‐withdrawing properties, with minimal changes in the energy alignment. [ABSTRACT FROM AUTHOR]

The elastic properties of dilute solid suspensions with imperfectly bonded inclusions of ellipsoidal shape are estimated. The imperfect bonding is regarded as a sharp interface across which the displacement jumps in proportion to the surface traction. Elastic compliances of the matrix and inclusion phases can exhibit arbitrary anisotropy while that of the bonding exhibits an anisotropy that depends on the interface normal only. A variational framework is employed to generate pairs of elementary bounds, asymptotically exact results, and approximations for the effective elasticity tensor. Each member of the pair differs in the way the bonding compliance is averaged over the interfacial surface: an 'arithmetic' mean in one case and a 'harmonic' mean in the other case. The results are used to infer the most convenient approximation for a given range of material parameters. [ABSTRACT FROM AUTHOR]

Lithium-titanium-sulfur cathodes have garnered interest due to their distinctive properties and potential applications in lithium-ion batteries. They present various benefits, including lower cost, enhanced safety, and greater energy density compared to the commonly used transition metal oxides. The current trend in lithium-ion batteries is to move to all-solid-state chemistries in order to improve safety and energy density. Several chemistries for solid electrolytes have been studied, tested, and characterized to evaluate the applicability in energy storage system. Among those, sulfur-based Argyrodites have been coupled with cubic rock-salt type Li2TiS3 electrodes. In this work, Li2TiS3 surfaces were investigated with DFT methods in different conditions, covering the possible configurations that can occur during the cathode usage: pristine, delithiated, and overlithiated. Interfaces were built by coupling selected Li2TiS3 surfaces with the most stable Argyrodite surface, as derived from a previous study, allowing us to understand the (electro)chemical compatibility between these two sulfur-based materials. [ABSTRACT FROM AUTHOR]

We report the crack growth on peak aged Al 7075 under tensile loading in a saltwater environment to investigate whether hydrogen plays a role in the initiation and the subsequent growth of the crack. As the hydrostatic stress is at a maximum ahead of the notch, it has been speculated that hydrogen would diffuse to region of maximum hydrostatic stress and initiate the crack. An elastic-plastic finite element (FE) model is developed to determine the stress distribution around the circular notch at the edge of the plate. The crack growth was monitored using a camera attached with an optical microscope, and various regimes corresponding to hydrogen evolution, pit formation and growth, crack nucleation and initial growth and rapid crack growth leading to failure have been identified. We observe the crack was nucleated in a region associated with the highest hoop stress instead of the maximum hydrostatic stress from the base of a pit at the circular notch. We demonstrated the crack growth rate in a salt water environment is governed mostly by the dissolution of grain boundary MgZn2 precipitate, rather than the hydrogen induced decohesion mechanism. [ABSTRACT FROM AUTHOR]

The investigation of cyclic shear response on a geosynthetic–soil interface is important for reinforced soil structures. A stereoscopic geogrid with a thickened transverse-rib thickness increases the interaction with the soil compared with a planar geogrid. In this study, three-dimensional printing technology was used to produce stereoscopic geogrids with transverse-rib thicknesses of 5, 10, 15 and 20 mm. The influences of different cyclic shear displacement amplitudes (1, 3, 6 and 10 mm) and normal stresses (20, 40 and 60 kPa) on the direct shear tests under static and cyclic loading at the stereoscopic geogrid–sand interface were investigated. The results indicate that the maximum shear stress can be improved by the stereoscopic geogrid at larger cyclic shear displacement amplitudes. The effect of transverse-rib thickness on the fitted curves of the normalised interface shear stiffness and damping ratio was reversed. The cyclic shear process altered the relationship between apparent cohesiveness and transverse-rib thickness. The peak stress ratio of the stereoscopic geogrid–sand interface is proposed as a function of the transverse-rib thickness and maximum dilation angle. [ABSTRACT FROM AUTHOR]

Nanolayered Zr/Nb metals are considered promising for advanced nuclear reactors due to their superior resistance to irradiation. In this study, Zr/Nb multilayers were irradiated with 50 keV He+ ions to a fluence of 1 × 1017 ions/cm2 at temperatures of room temperature, 350 °C, and 500 °C to investigate irradiation-induced structural changes. X-ray diffraction (XRD) analysis indicated low-angle shifts of 0.08–0.54° and high-angle shifts of 0.08–0.42° in the irradiated Zr and Nb layers, suggesting tensile and compressive strains, respectively. At 500 °C, the selected-area electron diffraction (SAED) observed a 9.2% lattice expansion in Zr and a 0.13% contraction in Nb. Geometric phase analysis (GPA) revealed varying strain distributions, transitioning from incoherent to coherent interfaces with increasing irradiation damage. Transmission electron microscopy (TEM) identified the presence of He bubbles in the Zr layer as one of the reasons for strain differences. Nanoindentation tests showed an increase at a depth of 150 nm hardness of 0.831 GPa at 500 °C compared to 350 °C. These results are attributed to differences in crystal structure, vacancy dynamics, interfacial effects, and lattice strain influences. Stability of Zr/Nb interfaces after He irradiation was studied. This study provides insights into the radiation behavior of Zr/Nb nanoscale metallic materials, enhancing our understanding of their potential as structural materials in nuclear energy systems.

Abstract The interfacial microstructure and corrosion behavior of oxide dispersion strengthening (ODS) FeCrAl alloy with 20 wt% Cr (e.g. 20Cr ODS FeCrAl alloy) exposed to static oxygen-saturated lead-bismuth eutectic (LBE) at 450 °C for 20 h, 40 h, 60 h, 80 h and 100 h as exposure time respectively have been investigated. The results show that multilayer corrosion films of 20Cr ODS FeCrAl alloy can exist at the corrosion interface. Due to formation of protective scales, the primary corrosion mechanism of 20Cr ODS FeCrAl alloy in LBE is oxidation rather than dissolution and penetration of liquid LBE. Specially, the spinel-shaped nano-sized dense external layer without any microcracks is obviously observed. Moreover, the dense and compact scale with micron-meters, i.e. Al-rich Fe-Cr spinel, generates at interface as the middle layer to effectively defend inward diffusion of oxygen and penetration of LBE. Meanwhile, a reinforced and continuous internal layer mixed with Cr2O3 scale and the ferrite inner oxidation zone (IOZ) existing in the form of the interlocking interface between the layers and the substrate can further promote the adhesion between corrosion layers and the substrate of 20Cr ODS FeCrAl.

In this study, the field‐effect generated by illuminated p‐type ferroelectric bismuth ferrite (BiFeO3 or BFO) semiconductor film is utilized to modulate the water‐splitting performance of a system with a macroscopic spatial separation between the anode and cathode. When the BFO film in contact with an electrolyte is illuminated with a light of sufficiently high frequency, an electrolytic conducting channel is formed due to the field effect induced by photoexcited charge carriers in the BFO film, which in turn alters the water‐splitting pathway and the reaction mechanism. The field effect can be modulated by changing the orientation of the ferroelectric polarization in the BFO film. With a BFO film of 4.5 mm channel length and an overall upward ferroelectric polarization direction, a ∼30% increase in water‐splitting performance in a neutral‐pH electrolyte is achieved in the presence of field‐effect induced by a 20 mW 405 nm light source. The mechanism behind the field‐effect modulation is also further verified by monitoring the pH of the electrolyte during the water‐splitting process and conducting thresholding analysis on the recorded data. The field‐effect modulation described in this study can potentially be used to enhance the performance of a photoelectrochemical water‐splitting system by taking advantage of the presence of light illumination in the system or be utilized in electrochemical sensing applications. [ABSTRACT FROM AUTHOR]

Thin liquid films play a crucial role in various systems and applications. Understanding the mechanisms that regulate their morphology is a scientific challenge with obvious implications for application optimization. Thin liquid films trapped between bubbles and air-liquid interface can show various configurations influenced by their deformation history and system characteristics. The morphology of thin liquid films formed in the presence of surface-active molecules is here studied with interferometric techniques. Three different systems with varying interfacial properties are investigated to understand their influence on film morphology. Specific deformation histories are applied to the films to generate complex film structures. We achieve the creation of a rather stable wimple by implementing controlled bubble motions against the air-liquid interface. We provide a criterion for wimple formation based on lubrication theory. The long-term stability of the wimple is also investigated, and more complex multi-wimple structures are experimentally produced building upon the achieved wimple stability.   [ABSTRACT FROM AUTHOR]

Low ionic conductivity hinders the practical application of solid polymer electrolytes. Here, an interface‐oscillating polymer electrolyte (IOPE) based on graphdiyne (GDY) is designed and prepared to enable high‐performance all‐solid‐state lithium (Li) metal batteries (ASSLMBs). The affinity of GDY to Li ions induces the competitive adsorption of Li ions, weakens the coordination ability of Li ions with electron‐rich oxygen (on ethylene oxide), and accelerates the Li‐ion migration kinetics. The weak coordination between Li+‐acetylene greatly promotes the rapid reversible transition of GDY itself, resulting in strong self‐expanding/shrinking of the GDY skeleton and the GDY/polymer interface oscillation, and the reduction of the Li‐ion diffusion energy barrier at the interfaces. Consequently, the as‐prepared IOPE shows significantly improved Li‐ion conductivity (1.5 × 10−4 S cm−1 at 35 °C) and transference number, as well as excellent stability toward Li metal anodes. The ASSLMBs assembled with LiFePO4 cathodes and IOPE exhibit excellent rate and cycling performance, capable of stable operation for more than 250 cycles with a high‐capacity retention of 98% at 0.1C (1C = 170 mA g−1). The high‐performance all‐solid‐state Li metal pouch cells are also demonstrated to show great potential for the practical application of IOPE. [ABSTRACT FROM AUTHOR]

Rechargeable magnesium‐ion batteries (RMBs) have garnered increasing research interest in the field of post‐lithium‐ion battery technologies owing to their potential for high energy density, enhanced safety, cost‐effectiveness, and material resourcefulness. Despite substantial advancements in RMB research, a number of intrinsic challenges remain unresolved, such as the strong Coulombic interaction between Mg2+ and the host crystal structure of cathode materials, sluggish Mg2+ diffusion kinetic, poor electrolyte compatibility, and the formation of passivation films on the Mg anode interface. These issues hinder the commercial applications of RMBs. This review provides a comprehensive overview of the progress in key areas of RMB research, including representative magnesium‐ion storage cathode/anode materials and magnesium‐ion conducting electrolytes. Additionally, recent developments in electrode‐electrolyte interface regulations and pouch‐cell fabrication are outlined, highlighting current challenges and the implementation of effective solutions. Finally, future research directions are proposed to guide the development of high‐performance RMBs with practical applications. [ABSTRACT FROM AUTHOR]

Two model substrates for the grafting to reaction are considered: not‐deglazed silicon, whose surface is coated by a thin oxide layer with reactive silanol groups on its surface; and deglazed silicon, where the oxide layer is removed by treatment with hydrofluoric acid. The reactive polymers are hydroxy‐terminated polystyrenes with molecular weights ranging from 3.9 to 13.9 kg mol⁻1. The grafting to reaction is carried out at different temperatures and for different periods of time on the two different substrates. The thickness and the thermal stability of the resulting brushes are evaluated. Furthermore, the grafting of a highly dispersed system is simulated by blending two polymers with different molecular weights. Although the brush thickness growth is found to be faster on deglazed silicon, the preferential grafting of short chains occurs with equal chain selection propensity on both substrates. [ABSTRACT FROM AUTHOR]

A facile synthesis of Pt-Rh 2 O 3 /CN x composite is reported for superior electrocatalytic hydrogen evolution and oxidation reaction (HER/HOR) in base. The HER/HOR performance of Pt-Rh 2 O 3 /CN x is ∼6/3.4 times better than commercial Pt/C. Both the hydrogen and hydroxyl binding energy are equal descriptors for alkaline HER/HOR. The hydrogen spillover from Pt to Rh 2 O 3 enhances the HER/HOR performance. The role of hydroxyl-metal-water species on alkaline HOR was also discussed. [Display omitted] • The Platinum/Rhodium Oxide-Nitrogen-Doped Carbon (Pt/Rh 2 O 3 -CN x) nanocomposite was prepared for bifunctional HER/HOR in base media. • The HOR/HER activities of Pt/Rh 2 O 3 -CN x are ∼ 3.5/6 times higher than commercial Pt/C. • Experimental, theoretical studies suggest H-spillover increases catalytic activity. • HBE and OHBE are responsible for alkaline HER/HOR; a bifunctional mechanism was proposed. • Interfaces, porosity, ECSA, and synergetic interactions also helped for high activity. The poor activity of Pt-based-catalysts for alkaline hydrogen oxidation/evolution reaction (HOR/HER) encourages scientific society to design an effective electrocatalyst to develop alkaline fuel cells/electrolyzers. Herein, platinum/rhodium oxide-nitrogen-doped carbon (Pt/Rh 2 O 3 -CN x) composite is prepared for alkaline HER and HOR inspired by hydrogen spillover. The HER performance of Pt/Rh 2 O 3 -CN x is ∼ 6 times higher than Pt/C. In HOR, Pt/Rh 2 O 3 -CN x possesses an exchange current density of 657.60 mA/mg metal , which is ∼ 3.4 times higher than Pt/C. Hydrogen and hydroxyl binding energy (HBE and OHBE) contribute equally to alkaline HOR/HER. The experimental and theoretical evidence suggests that the enhanced HER and HOR activity of Pt/Rh 2 O 3 -CN x may be due to hydrogen spillover from Pt to Rh 2 O 3. Small work function difference [0.08 eV] of the system suggested hydrogen-spillover is feasible, which has been justified by reaction-free energy calculations. We proposed that the dissociation of hydrogen (H 2) and water (H 2 O) occurs at Pt to form Pt-adsorbed hydrogen species (Pt-H ad). Then, some H ad moves to Rh 2 O 3 through hydrogen spillover and reacts with neighboring H ad or adsorbed hydroxyl species (OH ad) to form H 2 or H 2 O, which enhances the HER and HOR activity, respectively. The role of water-metal-hydroxyl species in the electrical double layer was also demonstrated on alkaline HOR/HER. This work may help to design the hydrogen-spillover-based catalysts for several renewable energy technologies. [ABSTRACT FROM AUTHOR]

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The cathode surface of sulfide‐based all‐solid‐state batteries (SBs) is commonly coated with amorphous‐LiNbO3 in order to stabilize charge–discharge reactions. However, high‐voltage charging diminishes the advantages, which is caused by problems with the amorphous‐LiNbO3 coating layer. This study has investigated the degradation of amorphous‐LiNbO3 coating layer directly during the high‐voltage charging of SBs. O2 generation via Li extraction from the amorphous‐LiNbO3 coating layer is observed using electrochemical gas analysis and electrochemical X‐ray photoelectron spectroscopy. This O2 leads to the formation of an oxidative solid electrolyte (SE) around the coating layer and degrades the battery performance. On the other hand, elemental substitution (i.e., amorphous‐LiNbxP1‐xO3) reduces O2 release, leading to stable high‐voltage charge–discharge reactions of SBs. The results have emphasized that the suppression of O2 generation is a key factor in improving the energy density of SBs. [ABSTRACT FROM AUTHOR]

All‐solid‐state potassium metal batteries have caught increasing interest owing to their abundance, cost‐effectiveness, and high energy/power density. However, their development is generally constrained by the lack of suitable solid‐state electrolytes. Herein, we report a new complex KCB9H10 ⋅ 2C3H4N2, synthesized by grinding and heating the mixture of potassium decahydrido‐monocarba‐closo‐decaborate (KCB9H10) and imidazole (C3H4N2) under mild conditions, to achieve the K‐ion superionic solid‐state electrolyte. The crystal structure was revealed as an orthorhombic lattice with the space group of Pna21 by FOX software. The diffusion properties for K+ in the crystal structure were calculated using the climbing image nudged elastic band (CI‐NEB) method. KCB9H10 ⋅ 2C3H4N2 exhibited a high ionic conductivity of 1.3×10−4 S cm−1 at 30 °C, four orders of magnitude higher than that of KCB9H10. This ionic conductivity is also the highest value of hydridoborate‐based K+ conductors reported. Moreover, KCB9H10 ⋅ 2C3H4N2 demonstrated a K+ transference number of 0.96, an electrochemical stability window of 1.2 to 3.2 V vs. K/K+, and good stability against the K metal coated by a layer of potassium imidazolate (KIm). These great performances make KCB9H10 ⋅ 2C3H4N2 a promising K‐ion solid‐state electrolyte. [ABSTRACT FROM AUTHOR]

In recent years, the electrocatalytic reduction of nitrate to ammonia (NRA) has garnered significant research attention. However, the complex multi-step proton–electron transfer process often results in various by-products, limiting NH3 production. Therefore, designing and developing highly active and selective electrocatalysts for efficient NRA is crucial. This study proposes a method to construct Cu/Cu2O nanosheet arrays with heterogeneous interfaces and oxygen vacancies on copper foam surfaces through electrochemical reduction. The interface coupling between Cu and Cu2O significantly optimizes the catalyst's surface electronic structure, providing sufficient active sites. In addition, the presence of oxygen vacancies in Cu/Cu2O can optimize the adsorption kinetics of intermediates in the NRA process and effectively inhibit the formation of by-products. The results show that Cu/CuO2 nanosheet arrays are superior NRA catalysts, achieving a Faradaic efficiency of up to 91.1%, a nitrate conversion of 96.25%, and an NH3 yield rate of 6.11 mg h−1 cm−2. [ABSTRACT FROM AUTHOR]

Thin buried magnetic layers ranging from thicknesses of a few atomic monolayers to several nanometers are omnipresent in the fields of magnetism and spintronics. For the functionality and fine tuning of devices build with such layers, exact knowledge of the depth dependent magnetic properties is essential. Especially the interfacial magnetic properties are important. Hence, understanding how magnetism is affected by structural variations, such as thickness or interface roughness, is mandatory. In this study, we use x-ray resonant magnetic reflectometry and magnetometry to study the high-resolution depth dependent magnetization profiles of thin magnetic transition metal layers sandwiched between an oxide and chromium layer. Compared to bulk materials, the room temperature saturation magnetization of these layers is reduced by up to 67%. These reductions are extremely sensitive to small structural variations. From the magnetic depth profiles, we disentangle different effects contributing to the magnetization reduction and the exact magnetic properties of the interface. [ABSTRACT FROM AUTHOR]

A set of direct shear tests was conducted to investigate the effects of sand mean grain size and geomembrane surface roughness on the shear behaviour of the sand–geomembrane interface. Four types of sands with different mean grain sizes were used and the interfaces included a smooth geomembrane (SGM) and four textured ones with different asperity characteristics. The samples were prepared in a direct shear box at five sedimentation angles. The experimental results showed that the peak friction angle of the soil–textured geomembrane interface was dependent on the mean grain size, inherent anisotropy and surface roughness of the geomembrane. The shear strength of sand–textured geomembranes was two to three times larger than that of the sand–SGM interface. The peak and residual friction angles of sand-SGM interface occurred at sedimentation angle of 72° while it was 108° for sand-TGM interfaces. An increase in mean grain size increased the shear strength of the sand–textured geomembrane interface; while a reverse condition occurred for the sand–SGM interface. The shear strength occurred at larger horizontal displacement as mean particle size increased and the effect of relative roughness on peak friction angle increased with increase in mean grain size. [ABSTRACT FROM AUTHOR]

The need for ceramic composites is increasing over a vast range of industrial applications, including energy and nuclear technology (structural materials for fission and fusion applications); space (thermal shields) or chemical sectors. Current finite element (FE) models are not able to reproduce the aleatory nature of crack generation and propagation through materials and interfaces. To tackle the shortcomings of FE models, a nonlocal bond‐based peridynamics model implemented in the Abaqus FE code has been updated to reproduce the behavior of interfaces between ceramic materials. Two‐ and three‐dimensional simulations have been used to simulate three‐point bend tests for a range of ceramic composites and compared with experiments available in the literature. The model reproduced most of the experimental failure loads, as well as correctly reproducing the failure modes and crack patterns. In particular, the model was able to predict two mechanisms for interface failure, cohesive failure, in which the two materials separate exactly at the interface, and cohesive failure of the substrate, in which a thin layer of the weaker material remains attached to the stronger material and a crack propagates in the weaker material, rather than at the interface. Both failure modes are experimentally observed and still difficult to reproduce with currently available FE simulations. [ABSTRACT FROM AUTHOR]

By combining the spectroscopic quality of a crystalline phase with the outstanding thermal and chemical stability of the matrix glass, nanocrystal‐in‐glass composites (NGCs) exhibit excellent optical properties. However, strong interfacial diffusion occurs during high‐temperature encapsulation, leading to the erosion of the nanocrystals and detrimental effects on the final performance. The control of interfacial diffusion has so far relied on intuition and experience, with the underlying physical mechanisms remaining largely unknown. In this study, through atomistic simulations and experimental verification, we have developed atomic models of NGCs, revealing the dynamic characteristics of the interface and elucidating how the glass structure can regulate the interface diffusion. Finally, we demonstrate how a tunable interface can be achieved through compositional adjustments of the glass matrix. [ABSTRACT FROM AUTHOR]

As perovskite photovoltaic devices can now compete with silicon technology in terms of efficiency, many strategies are investigated to improve their stability. In particular, degradation reactions can be hindered by appropriate device encapsulation, device architecture, and perovskite formulation. Mesoporous device architectures with a carbon electrode offer a plausible solution for the future commercialization of perovskite solar cells. They represent a low‐cost and stable solution with high potential for large‐scale production. Several studies have already demonstrated the potential of the mixed 2D/3D ammonium valeric acid iodide‐based MAPbI3 formulation to increase the lifetime of pure MAPbI3. They can however not describe the mechanisms responsible for the lifetime improvement. Using a full set of characterization techniques in the initial state and as a function of time during damp‐heat aging, new insights into the performance and degradation mechanisms may be observed. With (5‐AVA)0.05MA0.95PbI3, the solar cells are very stable up to 3500 h and the degradation of performances essentially results from the loss of electrical contacts mainly located at the interfaces. In contrast, for the neat MAPbI3, a poor stability is evidenced (T50 = 500 h) and the loss in performance results from the degradation of the bulk perovskite layer itself. [ABSTRACT FROM AUTHOR]

A directionally‐split volume‐of‐fluid (VOF) methodology for evolving interfaces under curvature‐dependent speed is devised. The interface is reconstructed geometrically and the volume fraction is advected with a technique to incorporate a topological volume conservation constraint. The proposed approach uses the idea that the role of curvature in a speed function V$$ \mathbf{V} $$ is analogous to the role of viscosity in the corresponding hyperbolic conservation law to propagate complex interfaces where singularities may exist. The approach has the advantage of simple implementation and straightforward extension to more complex multiphase systems by formulating the interface evolution problem using energy functionals to derive an expression for the interface‐advecting velocity. The numerical details of the volume‐of‐fluid based formulation are discussed with emphasis on the importance of curvature estimation. Finally, canonical curves and surfaces traditionally investigated by the level set (LS) method are tested with the devised approach and the results are compared with existing work in LS. [ABSTRACT FROM AUTHOR]