Search Results (398)

Hydrogen, as the smallest atom and a key component of water, can penetrate minerals in various forms (e.g., atoms, molecules), significantly influencing their properties. The hydrogen diffusion behavior in corundum (α-Al₂O₃) under high pressure was systematically investigated using the DFT + NEB method. The results indicate that H atoms tend to aggregate into H₂ molecules within corundum under both ambient and high-pressure conditions. However, hydrogen predominantly migrates in its atomic form (H) under both low- and high-pressure environments. The energy barriers for H and H₂ diffusion increase with pressure, and hydrogen diffusion weakens the chemical bonds nearby. Using the Arrhenius equation, we calculated the diffusion coefficient of H in corundum, which increases with temperature but decreases with pressure. On geological time scales, hydrogen diffusion is relatively slow, potentially resulting in a heterogeneous distribution of water in the lower mantle. These findings provide novel insights into hydrogen diffusion mechanisms in corundum under extreme conditions, with significant implications for hydrogen behavior in mantle minerals at high pressures. Full article

This study presents the design and microstructural investigation of a single-crystal (SX) Re-bearing high-entropy superalloy (HESA-X1) featuring a thermally stable γ–γ′–γ hierarchical microstructure. The alloy exhibits FCC γ nanoparticles embedded within L1₂-ordered γ′ precipitates, themselves distributed in a γ matrix, with the suppression of detrimental topologically close-packed (TCP) phases. To elucidate solidification behavior and phase stability, Scheil–Gulliver and TC-PRISMA simulations were conducted alongside SEM and XRD analyses. Near-atomic scale analysis in 3D using Atom Probe Tomography (APT) revealed pronounced elemental partitioning, with Re strongly segregating to the γ matrix, while Al and Ti were preferentially enriched in the γ′ phase. Notably, Re demonstrated a unique partitioning behavior compared to conventional superalloys, facilitating the formation and stabilization of γ nanoparticles during two-step aging (Ag-2). These γ nanoparticles significantly contribute to improved mechanical properties. Long-term aging (up to 200 h) at 750–850 °C confirmed exceptional phase stability, with minimal coarsening of γ′ and retention of γ nanoparticles. The coarsening rate constant K of γ′ at 750 °C was significantly lower than that of Re-free HESA, confirming the diffusion-suppressing effect of Re. These findings highlight critical roles of Re in enhancing microstructural stability by reducing atomic mobility, enabling the development of next-generation HESAs with superior thermal and mechanical properties for high-temperature applications. Full article

Recycling plastics waste into concrete represents one of the possible approaches for its valorization, offering both economic and environmental benefits. Although numerous studies have explored the mechanical properties of concrete with plastics waste, its durability performance remains largely unexplored. In this context, this study aims to assess the electrochemical behavior of rebars embedded in reinforced concrete modified by partially replacing natural aggregates with recycled plastics, comparing their behavior to that of conventional concrete. The corrosion of reinforcing steel bars was evaluated by wet and dry cycles (w/d) in calcium chloride solutions, monitoring corrosion potential and potentiostatic polarization resistance, and recording electrochemical impedance spectroscopy (EIS) and polarization curves. In addition, the chloride diffusion tendency and the mechanical performances were assessed in unreinforced samples. The findings indicate that in environments with lower chloride concentrations, concrete with plastic granules provides good protection against rebar corrosion. Although the mechanical results of the studied mixes confirmed that incorporating plastic granules as aggregates in the concrete matrix causes a reduction in compressive strength, as known in the literature, the modified concrete also exhibits improved post-cracking behavior, resulting in enhanced ductility and fracture toughness. Full article

Aluminum (Al) alloys exhibit exceptional mechanical properties, seeing widespread use in various industrial fields. Here, we use a multiscale simulation method combining phase field method, dislocation dynamics, and crystal plasticity finite element method to reveal the evolution law of precipitates, the interaction mechanism between dislocations and precipitates, and the grain-level creep deformation mechanism in 7A09 Al alloy under creep loading. The phase field method indicates that Al alloys tend to form fewer but larger precipitates during the creep process, under the dominant effect of stress-assisted Ostwald ripening. The dynamic equilibrium process of precipitate is not only controlled by classical diffusion mechanisms, but also closely related to the local strain field induced by dislocations and the elastic interaction between precipitates. Dislocation dynamics simulations indicate that the appearance of multiple dislocation loops around the precipitate during the creep process is the main dislocation creep deformation mechanism. A crystal plasticity finite element model is established based on experimental characterization to investigate the macroscopic creep mechanism. The dislocation climb is hindered by grain boundaries during creep, and high-density dislocation bands are formed around specific grains, promoting non-uniform plastic strain and leading to strong strain gradients. This work provides fundamental insights into understanding creep behavior and deformation mechanism of Al alloy for deep-sea environments. Full article

This study presented a novel antimicrobial packaging PVA/xanthan gum film decorated with green-synthesized silver nanoparticles (AgNPs) derived from Myrica rubra leaf extract (MRLE) for the first time. Montmorillonite (MMT) was used to improve its dispersion (AgNPs@MMT). The synthesis time, temperature, and concentration of AgNO₃ were considered using a central composite design coupled with response surface methodology to obtain the optimum AgNPs (2 h, 75 °C, 2 mM). Analysis of substance concentration changes confirmed that the higher phenolic and flavonoid content in MRLE acted as reducing agents and stabilizers in AgNP synthesis, participating in the reaction rather than adsorbing to nanoparticles. TEM, XRD, and FTIR images revealed a spherical shape of the prepared AgNPs, with an average diameter of 8.23 ± 4.27 nm. The incorporation of AgNPs@MMT significantly enhanced the mechanical properties of the films, with the elongation at break and shear strength increasing by 65.19% and 52.10%, respectively, for the PAM2 sample. The films exhibited strong antimicrobial activity against both Escherichia coli (18.56 mm) and Staphylococcus aureus (20.73 mm). The films demonstrated effective food preservation capabilities, significantly reducing weight loss and extending the shelf life of packaged grapes and bananas. Molecular dynamics simulations reveal the diffusion behavior of AgNPs in different matrices, while the measured silver migration (0.25 ± 0.03 mg/kg) complied with EFSA regulations (10 mg/kg), confirming its food safety. These results demonstrate the film’s potential as an active packaging material for fruit preservation. Full article

Aminotris(methylene phosphonic acid) (ATMP) and poly(acrylic acid) sodium salt (PAA) have shown favorable results in the treatment of porous building materials against weathering damage, showing promising potential as mixed-in additives during the production of lime-based mortars. This study investigates the impact of these additives on microstructure and mechanical properties. Additives were introduced in various concentrations to assess their influence on CaCO₃ crystallization, porosity, strength, and carbonation behavior. Results revealed significant modifications in the morphology of CaCO₃ precipitates, showing evidence of nanostructured CaCO₃ aggregates and vaterite stabilization, thus indicating a non-classical crystallization pathway through the formation of amorphous CaCO₃ phase(s), facilitated by organic occlusions. These nanostructural changes, resembling biomimetic calcitic precipitates enhanced mechanical performance by enabling plastic deformation and intergranular bridging. Increased porosity and pore connectivity facilitated CO₂ diffusion towards the mortar matrix, contributing to strength development over time. However, high additive concentrations resulted in poor mechanical performance due to the excessive air entrainment capabilities of short-length polymers. Overall, this study demonstrates that the optimized dosages of ATMP and PAA can significantly enhance the durability and mechanical performance of lime-based mortars and suggests a promising alternative for the tailored manufacturing of highly compatible and durable materials for both the restoration of cultural heritage and modern sustainable construction. Full article

Fluid dispersion directly influences the transport, mixing, and efficiency of hydrogen storage in depleted gas reservoirs. Pore structure parameters, such as pore size, throat geometry, and connectivity, influence the complexity of flow pathways and the interplay between advective and diffusive transport mechanisms. Hence, these factors are critical for predicting and controlling flow behavior in the reservoirs. Despite its importance, the relationship between pore structure and dispersion remains poorly quantified, particularly under elevated flow conditions. To address this gap, this study employs pore network modeling (PNM) to investigate the influence of sandstone and carbonate structures on fluid flow properties at the micro-scale. Eleven rock samples, comprising seven sandstone and four carbonate, were analyzed. Pore network extraction from CT images was used to obtain detailed pore structure parameters and their statistical measures. Pore-scale simulations were conducted across 60 scenarios with varying average interstitial velocities and water as the injected fluid. Effluent hydrogen concentrations were measured to generate elution curves as a function of injected pore volumes (PV). This approach enables the assessment of the relationship between the dispersion coefficient and pore structure parameters across all rock samples at consistent average interstitial velocities. Additionally, dispersivity and n-exponent values were calculated and correlated with pore structure parameters. Full article

By applying different heat treatment processes (furnace cooling, air cooling, and water cooling), the stress–strain behavior of the localized interfacial region in weathering steel–stainless steel clad plates was investigated using nanoindentation, along with an analysis of interfacial microstructure formation and strengthening mechanisms. The results show that samples in the as-rolled (R), furnace-cooled (FC), air-cooled (AC), and water-cooled (WC) conditions exhibit distinct interfacial morphologies and local mechanical properties. A well-defined interfacial layer forms between the base and cladding materials, where a high density of dislocations, grain boundaries, precipitates, and nanoscale oxides significantly enhances interfacial strength, resulting in a yield strength (R_p0.2) much higher than that of either adjacent metal. Across the transition from weathering steel to stainless steel, the interfacial region consists of ferrite—interfacial layer—“new austenite”—stainless steel austenite. Its formation is predominantly governed by element diffusion, which is strongly influenced by the applied heat treatment. Variations in diffusion behavior significantly affect the microstructural evolution of the dual-phase transition zone at the interface, thereby altering the local mechanical response. Full article

The current study focuses on the manufacturing and characterization of various forms of Ecoflex and their composites to improve the mechanical properties and surface texture, specifically for use in wearable sensors and electronic skin applications. Various types of Ecoflex elastomers were mixed to form blended composite materials, which could be used to tune the mechanical properties. Experimental and simulation methods were conducted to understand the mechanical behavior and material properties of the manufactured samples under large deformation (1200% strain) by various dynamic loading conditions. Further, the surface conditions of specimens were analyzed and evaluated using scanning electron microscopy and contact angle goniometer. The Yeoh model reasonably predicts the viscoelastic and hysteresis behavior of Ecoflex and its composites in accordance with the experimental data for small and large strain. The surface smoothness and moisture-resistant properties of the material surface were enhanced up to a contact angle of 127° (maximum) by adding x = 15 wt% of surface tension diffusers, with a slight compromise in stretchability. This comprehensive investigation and database of Ecoflex–Ecoflex composite can guide and help researchers in selecting and applying the most appropriate Ecoflex/blended solutions for a specific application, while providing insight into the mechanics of materials of blended materials. Full article

This work presents a comprehensive investigation into the interfacial charge storage mechanisms and lithium-ion transport behavior of Li-metal all-solid-state batteries (ASSBs) employing LiFePO₄ (LFP) cathodes fabricated via alternating current electrophoretic deposition (AC-EPD) and Li_1.3Al_0.3Ti_1.7(PO₄)₃ (LATP) as the solid-state electrolyte. We demonstrate that optimal sintering improves the LATP–LFP interfacial contact, leading to higher lithium diffusivity (~10⁻⁹ cm²∙s⁻¹) and diffusion-controlled kinetics (b ≈ 0.5), which directly translate to better rate capability. Structural and electrochemical analyses—including X-ray diffraction, scanning electron microscopy, cyclic voltammetry, and rate capability tests—demonstrate that the cell with LATP sintered at 900 °C delivers the highest Li-ion diffusivity (~10⁻⁹ cm²∙s⁻¹), near-ideal diffusion-controlled behavior (b-values ~0.5), and superior rate capability. In contrast, excessive sintering at 1000 °C led to reduced diffusivity (~10⁻¹⁰ cm²∙s⁻¹). The liquid electrolyte system showed higher b-values (~0.58), indicating the inclusion of surface capacitive behavior. The correlation between b-values, diffusivity, and morphology underscores the critical role of interface engineering and electrolyte processing in determining the performance of solid-state batteries. This study establishes AC-EPD as a viable and scalable method for fabricating additive-free LFP cathodes and offers new insights into the structure–property relationships governing the interfacial transport in ASSBs. Full article

This study presents the results of investigations into the properties of a composite made from the commercial biopolymer with varying concentrations of ground coffee husks (CH) at 10, 30, and 50 wt%. Thermal, thermomechanical, physical, and mechanical properties were determined for the composites. Results indicate that the inclusion of CH into the polymer matrix significantly enhances the thermomechanical properties of the obtained composites, particularly in terms of storage modulus at 30 °C. The addition of coffee filler did not alter the characteristic thermal curves. Still, it reduced the thermal resistance of the composites, lowering the degradation temperature by approximately 40 °C compared to the pure polymer. Furthermore, the incorporation of CH introduced an additional stage of mass loss on the thermogravimetric curves, associated with the thermal decomposition of CH. The physico-mechanical properties of the composite depend on the content of the filler. Increasing the coffee content increases the dynamics of water absorption by the composite. It also increases the composite’s stiffness while reducing its tensile and flexural strength. The obtained results suggest that biopolymer-based composites filled with ground CH can be effectively used for manufacturing biodegradable products, with the moisture diffusion behavior indicating susceptibility to degradation that is modulated by the CH content. Full article

Synthetic ester insulating oils are extensively utilized in power transformers due to their exceptional insulating properties, thermal stability, and environmental compatibility. The dissolved gas analysis (DGA) technique, which is employed to diagnose internal faults in transformers by monitoring the concentration and composition of dissolved gases in oil, is thought to be effective in detecting typical faults such as overheating and partial discharges in synthetic esters. However, owing to the significant differences in the properties of traditional mineral oil and synthetic esters, the existing DGA-based diagnostic methods developed for mineral oils cannot be directly applied to synthetic esters. A deep understanding of the microscopic processes occurring during the gas generation and diffusion of synthetic esters is an urgent necessity for DGA applications. Therefore, in this study, we systematically investigated the diffusion behavior of seven typical fault gases in synthetic ester insulating oils within a temperature range of 343–473 K using molecular dynamics simulations. The results demonstrate that H₂ exhibits the highest diffusion capability across all temperatures, with a diffusion coefficient of 33.430 × 10⁻⁶ cm²/s at 343 K, increasing to 402.763 × 10⁻⁶ cm²/s at 473 K. Additionally, this paper explores the microscopic mechanisms underlying the diffusion characteristics of these characteristic gases by integrating the Free-Volume Theory, thereby providing a theoretical foundation for refining the fault gas analysis methodology for transformer insulating oils. Full article

In Gen-IV nuclear reactors, structural materials must endure unprecedented levels of neutron irradiation and hydrogen exposure, posing significant challenges for traditional Ni-based alloys. This study evaluates Ni–graphene nanocomposites (NGNCs) as a promising solution, leveraging their inherent radiation tolerance and hydrogen diffusion suppression. Using molecular dynamics simulations, we investigate how Ni/graphene interfaces influence mechanical properties under combined hydrogen permeation and displacement damage. Key parameters, such as hydrogen concentration, displacement damage level, strain rate, and temperature, are systematically varied to assess their impact on stress–strain behavior (including Young’s modulus and tensile strength), with comparisons to single-crystal nickel. Our findings reveal that NGNCs exhibit distinct mechanical responses characterized by serrated stress–strain curves due to interfacial slip. Hydrogen and irradiation effects are complex: low hydrogen levels can increase Young’s modulus, while higher concentrations and irradiation generally degrade strength, with NGNCs being more affected than single-crystal nickel. Additionally, NGNCs show enhanced thermal stability but increased strain rate sensitivity. These results provide critical insights for designing materials that balance reinforcement with environmental resilience in nuclear applications. Full article

This study explores the effects of Tricholoma matsutake-derived insoluble dietary fiber (TMIDF) on the pasting behavior, structural properties, and in vitro digestibility of rice flour. The incorporation of 5% TMIDF significantly increased the peak viscosity (from 2573.21 to 2814.52 mPa·s) by competitively adsorbing water and forming a dense transient network, while simultaneously reducing the final viscosity (from 1998.27 to 1886.18 mPa·s) by inhibiting amylose recrystallization. Multi-scale structural analyses revealed that TMIDF enhanced V-type crystallinity and limited enzyme access via a porous fibrous matrix. Fourier-transform infrared spectroscopy and low-field nuclear magnetic resonance analyses confirmed that hydrogen bonding and water redistribution were key interaction mechanisms. TMIDF significantly lowered in vitro starch digestibility and increased resistant starch content by 16% (from 14.36% to 30.94%) through synergistic effects, including physical encapsulation of starch granules, formation of enzyme-resistant amylose-lipid complexes, and α-amylase inhibition (31.08%). These results demonstrate that TMIDF possesses a unique multi-tiered modulation mechanism, involving structural optimization, enzyme suppression, and diffusion control, which collectively surpasses the functional performance of conventional plant-derived insoluble dietary fibers. This research establishes a theoretical basis for applying fungal insoluble dietary fibers to develop low glycemic index functional foods, highlighting their dual role in improving processing performance and nutritional quality. Full article

Composite materials have the advantages of high strength and low weight, and are therefore used in many areas. However, in humid and marine environments, mechanical properties may deteriorate due to moisture diffusion, especially in glass fiber reinforced polymers (GFRP) and carbon fiber reinforced polymers (CFRP). This study investigated the damage formation and changes in mechanical properties of single-layer adhesive-bonded GFRP and CFRP connections under the effect of sea water. In the experiment, 0/90 orientation, twill-woven GFRP (7 ply) and CFRP (8 ply) plates were produced as prepreg using the hand lay-up method in accordance with ASTM D5868-01 standard. CNC Router was used to cut 36 samples were cut from the plates produced for the experiments. The samples were kept in sea water taken from the Aegean Sea, at 3.3–3.7% salinity and 23.5 °C temperature, for 1, 2, 3, 6, and 15 months. Moisture absorption was monitored by periodic weighings; then, the connections were subjected to three-point bending tests according to the ASTM D790 standard. The damages were analyzed microscopically with SEM (ZEISS GEMINI SEM 560). As a result of 15 months of seawater storage, moisture absorption reached 4.83% in GFRP and 0.96% in CFRP. According to the three-point bending tests, the Young modulus of GFRP connections decreased by 25.23% compared to dry samples; this decrease was 11.13% in CFRP. Moisture diffusion and retention behavior were analyzed according to Fick’s laws, and the moisture transfer mechanism of single-lap adhesively bonded composites under the effect of seawater was evaluated. Full article