Carbon nitride (CN), a promising polymeric semiconductor and photocatalyst, exhibits photocatalytic activity that is notably influenced by the synthesis temperature. In this work, a series of I, K co-doped carbon nitrides (KICNT) were fabricated under various pyrolysis temperature (450, 500, 550, 600 and 650 °C) conditions and an N2 atmosphere, which were then subsequently applied to catalytic hydrogen peroxide (H2O2) production and tetracycline (TC) degradation. Both oxygen adsorption capacity and photocatalytic activity exhibited an initial increase followed by a decline with rising pyrolysis temperature. The KICN600 sample simultaneously exhibits the highest photocatalytic activity for both H2O2 production and photodegradation capability for TC. KICN600 achieved a H2O2 yield of 4382.1 μmol L-1via a two-step oxygen reduction process in air after 2 h and 11 013.8 μmol L-1 under an oxygen atmosphere and visible light irradiation. Furthermore, the TC degradation over this state-of-the-art KICN600 photocatalyst can reach 83.9% within only 2 h under ambient air conditions. The characterizations results showed that the exceptional photocatalytic activity of KICN600 can be attributed to the high concentration of K-bridged channels and abundant carbon vacancies. These structural features collectively enhance the oxygen reduction capability and charge carrier separation efficiency.
A novel Al-5Ti-0.25C-4Sr master alloy was synthesized sustainably from Al/Ti machining chips to overcome Si poisoning in A356 alloys. The master alloy exhibited synergistic alpha-Al grain refinement and eutectic Si modification in A356 alloy. The optimal addition (1.2 wt%) effectively reduced the average alpha-Al grain size and eutectic Si were reduced by 46.5% and 69.3%, leading to a 53.1% enhancement in ultimate tensile strength (150 MPa) compared to the unmodified alloy. Microstructural analysis revealed that the refinement stems from heterogeneous nucleation on TiAl3, TiC, and Ti2Al20Sr particles. The modification was attributed to Sr-induced twinning, which was further elucidated by first-principles calculations showing strong Sr adsorption on the Si (100) surface. This work provides a cost-effective and eco-friendly strategy for high-performance Al-Si alloy production.
Magnesium rare earth (Mg-RE) alloys generally exhibit insufficient strength and ductility because of their coarse grains, which restricts their engineering applications. Grain refinement can be effectively achieved by adding Al. This study investigates the effect of Al addition on grain refinement and the mechanical properties of a Mg-6Gd-3Y alloy. Mg-6Gd-3Y alloys containing different Al contents (0, 0.5, 1.0, 1.5, 2.0, and 3.0 wt.
The electronic and thermal transport properties of Al2Cu and Al-Fe-Si intermetallic compounds were investigated through first-principles calculations based on density functional theory. The electronic structures, including the energy bands and density of states (DOS), were analyzed, which revealed metallic characteristics for Al2Cu, Al2Fe3Si4, Al8Fe2Si and Al5FeSi, while Al2Fe3Si3 exhibits semiconducting behavior. Phonon spectra and phonon DOS were calculated to evaluate lattice dynamics, confirming the dynamic stability of all compounds and identifying the dominant vibrational contributions of Fe and Si atoms. The electrical conductivities were calculated using Boltztrap2 code, and the electronic thermal conductivities were derived from the Wiedemann-Franz law. Lattice thermal conductivities were determined by the ShengBTE code, with Al2Fe3Si3 exhibiting the highest lattice thermal conductivity among the investigated compounds. The comprehensive analysis provides valuable insights for optimizing the composition of aluminum alloys for enhanced thermal properties, thus supporting the development of advanced aluminum-based materials for various industrial applications.
Aluminum alloys contain three typical matrix-precipitate interfaces: Al-Al2Cu, Al-Mg2Si, and Al-Al5Cu2Mg8Si6. A first-principles computational approach was systematically employed to investigate the atomic-scale structures and properties of these three representative interfaces. We focused on key parameters including interfacial energy, work of adhesion, and electronic structure, and constructed five distinct interface models: Al-Al(001)/Al2Cu(001), Cu-Al(001)/Al2Cu(001), Mg-Al(111)/Mg2Si(111), Si-Al(111)/Mg2Si(111), and Al(111)/Al5Cu2Mg8Si6(001), aiming to elucidate the underlying mechanisms by which charge density distribution and electronic band structure govern interfacial bonding. Results demonstrate that the Si-Al(111)/Mg2Si(111) interface exhibits the highest thermodynamic stability and work of adhesion, while the Al(111)/Al5Cu2Mg8Si6(001) interface shows the lowest thermodynamic stability. The thermodynamic stability of the interfaces is ranked in descending order as follows: Si-Al(111)/Mg2Si(111) > Al-Al(001)/Al2Cu(001) > Cu-Al(001)/Al2Cu(001) > Mg-Al(111)/Mg2Si(111) > Al(111)/Al5Cu2Mg8Si6(001). This work addresses the limitations of traditional experimental methods for atomic-scale characterization, contributes to filling the research gap in the systematic comparison of typical precipitation-strengthening phase interfaces, and provides a theoretical foundation for interface design and property optimization of high-strength aluminum alloys.
Periprosthetic joint infection (PJI) is sustained by implant-associated biofilms, ineffective immune activation, oxidative stress, and impaired osseointegration, and therefore requires more than local bacterial killing alone. Hydrogel-based therapies have attracted growing attention, but their biological effects are often attributed indiscriminately to the hydrogel even when they are primarily produced by incorporated antibiotics, antimicrobial peptides, enzymes, nanoparticles, growth factors, or cells. This narrative review develops a material-centered framework that distinguishes three sources of therapeutic activity: matrix-intrinsic functions, payload-derived biological effects, and hydrogel-enabled effects. We summarize the interface-specific pathophysiology of PJI and analyze the hydrogel properties most relevant to peri-implant treatment, including local retention, injectability, conformability to irregular dead space, wet-surface and implant-interface adaptation, tunable degradation, controlled or stimuli-responsive release, and extracellular matrix-like support. Representative antibacterial, antibiofilm, redox-regulating, immunomodulatory, angiogenic, and osteogenic systems are assessed according to their material composition, payload, release mechanism, experimental model, and direct relevance to true PJI. Hydrogels are also compared with polymethylmethacrylate cement, calcium sulfate carriers, nanoparticles or microspheres, electrospun scaffolds, and conventional implant coatings to clarify their scenario-specific advantages and limitations. The available evidence indicates that hydrogels are most valuable when they improve spatial retention, temporal sequencing, interface contact, or compatibility with labile therapeutics; they are not universally superior when mechanical support, established surgical familiarity, or long-term structural stability is required. Translation will depend on clinically representative implant-associated models, standardized reporting, sterilization and storage compatibility, reproducible manufacturing, surgical usability, and proportionate regulatory complexity. This hydrogel-enabled perspective supports indication-driven design and more rigorous evaluation of local biomaterial strategies for PJI.
L12-TiAl3 is a common phase in aluminum alloys, known for its reliable (010) bonding with Al, yet the intrinsic origin of this interfacial strength remains elusive. Here, first-principles calculations are employed to investigate the L12-TiAl3/Al (010) interface, aiming to elucidate the essential mechanism of interfacial strengthening. The results reveal that (Al + Ti)-terminated slabs yield positive interface energies of 4.83-4.34 J/m2 (top), 4.25-3.76 J/m2 (bridge), and 3.52-3.03 J/m2 (hollow), while Al-terminated slabs give negative values of-6.76 to-6.27 J/ m2 (top),-6.57 to-6.07 J/m2 (bridge), and-6.29 to-5.79 J/m2 (hollow). Notably, the top site configuration of the Al-terminated slab yields the most negative interface energy, indicating spontaneous interfacial bonding. This negative interface energy is identified as the fundamental origin of the high interfacial strength of the L12-TiAl3/Al (010) heterogeneous interface, a conclusion further corroborated by calculations of the work of adhesion. Subsequent electronic structure analysis reveals that (Al + Ti)-terminated interfaces exhibit stronger antibonding characteristics compared to the Al-terminated counterparts, accounting for their relatively lower interface strength. Moreover, significant electronic rearrangement is observed at the Al-terminated interfaces, enhancing the covalent bond character while reducing the metallic bond contribution. This chemical bonding transition imparts the interface with superior bulk-like mechanical strength.
In situ TiB₂ particles provide effective strengthening in A356 alloy, but their high local electrochemical nobility can intensify chloride-induced localized corrosion, especially when particle agglomeration occurs. This work examines the effect of 0.5 wt.% Cr microalloying on the microstructure, local Volta potential, and corrosion behavior of A356 alloy and A356-5 vol.% TiB 2 composites. Salt-spray exposure, electrochemical testing, mass-loss measurements, and multiscale microstructural characterization were used to relate secondary-phase chemistry to local electrochemical activity and corrosion damage. TiB 2 particles formed clusters and exhibited the largest Volta-potential difference from the α-Al matrix. They therefore acted as strong microcathodes and accelerated dissolution of the surrounding matrix, which promoted pit initiation and subsequent growth. Cr addition led to the formation of elongated Al 13 Cr 4 Si 4 intermetallics. Their potential difference from α-Al was markedly lower than those of TiB 2 and Si. The Cr-containing alloys consequently showed higher low-frequency impedance, greater pit resistance, more positive corrosion and pitting potentials, lower corrosion current density, and reduced mass loss. After 240 h of salt-spray exposure, Cr decreased the maximum pit depth of the TiB₂ composite from 22.66 to 15.53 µm and reduced the apparent corrosion-rate coefficient from 1.51E-5 to 9.05E-6 cm h − 1 . These results demonstrate that Cr microalloying mitigates TiB 2 -induced micro-galvanic corrosion by reducing the local galvanic intensity and redistributing the corrosion response toward a less localized mode.
In response to the urgent demand for lightweight, high-strength, and high-conductivity materials in power transmission engineering, deep cryogenic rolling was applied to the Al-Mg-Si-0.2La alloy, and the effects of rolling reduction on its microstructure, mechanical properties, and electrical conductivity were systematically investigated. Experimental results demonstrate that the cryorolled Al-Mg-Si-0.2La alloy exhibits a typical deformed structure with a prominent rolling texture, while recovery and recrystallization are effectively inhibited owing to the cryogenic environment. Concurrently, the coarse second phases (AlFeSi and Al11La3 phases) are fragmented into fine, uniformly dispersed particles by the severe plastic deformation induced during deep cryogenic rolling. With increasing rolling reduction, massive dislocations are generated and accumulated within the alloy, ultimately facilitating the formation of ultra-fine grains. This microstructural evolution enables the simultaneous enhancement of mechanical properties and electrical conductivity. At a rolling reduction of 75 %, the alloy achieves optimal comprehensive performance with an UTS of 231.1 MPa, YS of 182.6 MPa, hardness of 75.9 HV, and electrical conductivity of 53.48 %IACS. Compared to the homogenized annealed alloy, these properties are improved by 99.1 %, 355.4 %, 84.7 %, and 3.6 %, respectively. Furthermore, relative to the as-cast alloy, the corresponding increments reach 35.9 %, 107.5 %, 13.45 %, and 21.7 %. It is reveals that the enhanced mechanical properties are predominantly governed by the dislocation strengthening, as well as grain refinement strengthening and second-phase dispersion strengthening. Meanwhile, the improved electrical conductivity is attributed to the synergistic effect of second-phase refinement and dynamic evolution of dislocations.
Thermal runaway and interfacial instability remain major barriers to the safe deployment of high energy density lithium-ion batteries (LIBs). The separator plays a pivotal role in both safety and electrochemical performance, yet commercial polyolefin separators exhibit poor thermal stability and limited electrolyte wettability. Here we report a biomass-derived composite ceramic separator (BCC) comprising cellulose nanofibrils (CNF) and hydroxyapatite nanowires (HAP NW). Through biomimetic multimodal interfacial interactions, including hydrogen bonding, coordination bonding, and electrostatic attraction. These components self-assemble into a highly integrated hierarchical network. This architecture endows the BCC separator with exceptional thermal tolerance, enabling it to maintain structural integrity when exposed to an open flame at 600 degrees C. The separator also demonstrates ultrarapid electrolyte affinity, achieving complete wetting in less than 10 s. Relative to conventional polypropylene separators, the BCC separator substantially reduces interfacial impedance and promotes uniform Li+ flux, resulting in an initial Coulombic efficiency of 84.6%, excellent rate capability, and stable cycling for over 1000 cycles. In full cells operated at 80 degrees C, it delivers 92% capacity retention. By integrating sustainability, scalability, and superior performance, this biomass-derived ceramic separator offers a promising pathway toward next generation high safety, energy density LIBs.
ZrAlNiCu multi-principal element alloys (MPEAs) exhibit considerable potential for marine applications. In this work, the effect of Y micro-alloying on the microstructure and corrosion behavior of (ZrAlNiCu)100 −xYx alloys with x = 0, 1, and 3 at% (denoted as Y0, Y1, and Y3, respectively) was systematically investigated. Microstructural characterization reveals that Y addition refines the matrix and promotes second-phase precipitation. However, excessive Y leads to the coarsening of Y-rich phases. Electrochemical Workstation confirm that Y1 exhibits optimal corrosion resistance, with a corrosion rate of only 0.48 mm/y, compared to 2.94 mm/y for Y0 and 1.37 mm/y for Y3. This improved performance is mainly attributed to the formation of a compact and continuous passive film enriched in ZrO2 and Al2O3. In addition, the corrosion process of the Y1 alloy shows a more pronounced diffusion-limited characteristic. These results suggest that precise Y addition is an effective strategy for optimizing passivation behavior and corrosion resistance in Zr-Al-Ni-Cu-based MPEAs.
Tailoring the morphology and distribution of intermetallic compounds dictates the mechanical performance of magnesium alloys. However, the synergistic and competitive roles of multi-rare-earth additions remain elusive. Here, we investigate the co-addition of Y and La in the AZ91 alloy, revealing a synergistic toughening mechanism that shifts the fracture mode from brittle cleavage to ductile failure. Specifically, La addition refines the coarse Al2Y phase, thereby delaying micro-void initiation. Concurrently, Y triggers a distinct morphological transition in the Al11La3 phase, converting it from an intrinsic high-aspect-ratio needle to a coarsened rod structure. By coupling transmission electron microscopy with first-principles calculations, we trace the atomic-scale origin of this transition to dual-site occupancy mechanism. During the growth of the Al11La3 phase, Y occupation at Al sites on the lateral (0 1 0) facets induces severe localized lattice expansion, which destabilizes the facet and creates more Al atom adsorption sites, thereby leading to irregular lateral coarsening. Conversely, along the [0 0 1] growth axis, Y possesses a stronger adsorption energy and a concentration advantage, allowing it to preferentially occupy La sites during the growth process. This triggers lattice contraction of Al11RE3 and a strong solute drag effect, kinetically suppressing longitudinal elongation. Ultimately, this work provides fundamental insights into the strength-toughness synergy in Mg-Al-RE systems and highlights a promising pathway for tailoring intermetallic anisotropy via atomic-scale solute-lattice coupling.
To gain a deeper understanding of how diverse microstructures influence the thermal conductivity of Al-Si alloys, the mechanism governing thermal conductivity variations in ADC12 alloy was elucidated through directional solidification and subsequent heat treatment processes. The contributions of grain boundaries, second phases, and solid-solution atoms to thermal conductivity were qualitatively evaluated. Results show that directional solidification substantially eliminates transverse grain boundaries, and the thermal conductivity reaches 189.59 W·m−1·K−1. After 24 h solid solution treatment, the average grain size decreases from 57.10 µm (as-cast) to 21.65 µm and the aspect ratio of eutectic Si reduces from 8.94 to 4.52. However, the extensive solid solution of Cu in the α-Al matrix induces severe lattice distortion, significantly reducing the thermal conductivity to 135.40 W·m−1·K−1. The achievement of high thermal conductivity is attributed to the substantial elimination of grain boundaries, which serves as a critical mechanism for thermal conductivity enhancement of ADC12 alloy. These findings provide novel strategies and theoretical insights for achieving excellent thermal conductivity in aluminum alloys by customizing their microstructures.
To overcome the restriction that the solid-state recycled processes can only be performed for the single brand of aluminium alloy chips, the feasibility of solid-state recycling of ADC12 and 6005A aluminium chips at varying ratios was investigated. The chips were first mixed by ball milling and then hot compacted before hot extrusion. The results revealed that ball milling can effectively mix and refine the chips, the chips gradually refined as the milling speed increased, in contrast, the milling time and the ratio of mixed chips had little effect on the morphology and average size of the chips. Microscopic examination showed that the recycled alloy with a mixing ratio of 9:1 between ADC12 and 6005A alloy achieved the best bonding quality, with the oxide layer and Fe-rich phases crushed and dispersed in the Al matrix, which improved the strength of the recycled alloy through the dispersion strengthening mechanism. The tensile test results also showed that the recycled alloy with the ratio of 9: 1 between ADC12 and 6005A alloy has prominent mechanical properties, with the ultimate tensile strength, yield strength, and elongation of 271 and 151 MPa, and 12 % respectively. The investigation in this work provides a novel and effective method for the recycling of aluminium alloy chips and contributes to the sustainable resource utilization of the aluminium industry.
A novel mechanical stirring method integrating homogeneous A356 internally cooled blocks is developed for A356 semi-solid slurry fabrication. A thermal-flow-phase change multiphysics model is established to investigate the effects of stirring rate and cooling block to melt mass ratio on the evolution of multiphysics fields. The optimal parameters (10% cooling block to melt mass ratio, 2000 r/min) yield the most uniform temperature and solid phase fraction distribution, which is confirmed by both metallographic characterisation and quantitative temperature validation.
Intermediate-temperature latent heat energy storage using phase change materials (PCMs) represents an effective solution for large-scale thermal storage systems and passive thermal management in aerospace and electronic devices. However, conventional intermediate-temperature PCMs (100–220 °C) suffer from three long-standing bottlenecks, including inherently low thermal conductivity, insufficient latent heat and liquid leakage, which restrict their practical applications. Herein, we propose a strategy to prepare advanced intermediate-temperature phase change composites (PCCs) with high thermal conductivity, high latent heat and leakage-proof performance. The PCC block employs a trimodal thermal energy storage material (eutectic boric/succinic acid) as the phase change component, combined with modified expanded graphite (MEG) as the affinity-enhanced thermally conductive framework that also offers the porous encapsulation structure. Moreover, two-step melting is employed to further improve the homogeneity of the PCC block, while pressure-induced compression is applied to construct the oriented thermal conductive network inside the composite. Experimental results demonstrate that the PCC block has both high thermal conductivity of 12.13 W m−1 K−1 and high reversible phase change enthalpy of 307 J g−1. Furthermore, the PCC blocks exhibit excellent cyclic stability and leakage-proof performance. Our strategy achieves the synergistic optimization of thermal conductivity, latent heat and leakage-proof for PCC blocks, making it promising for diverse intermediate-temperature thermal energy storage applications.
A novel series of MoNbTiVxZrSi (x = 0.25, 1.0) lightweight refractory high-entropy alloys (RHEAs) was designed by tuning V content. Phase formation was predicted using key thermodynamic parameters (Delta H mix, Delta S mix, delta, VEC), and correlated with microstructure and mechanical properties. The results indicate that both alloys exhibit a hyper-eutectic structure, consisting of primary M5Si3 and a (body-centered cubic (BCC) + M5Si3) eutectic structure. With increasing V from 0.25 to 1.0, the BCC phase fraction increases from 43.36% to 48.91%, simultaneously refining M5Si3 morphology and eutectic spacing. Performance tests indicate that this alloy system exhibits exceptional strength at both room and elevated temperatures. At room temperature, the alloy achieves hardness as high as 812.8 and 745.1 HV, significantly surpassing those of most reported RHEAs. Compression tests reveal that the R0.25 and R1.0 alloys exhibit high room-temperature yield strengths of 1583 and 1667 MPa, respectively, while achieving fracture strains of 14.2% and 20.8%. At 873 K, these alloys maintain excellent strength, with yield strengths reaching 1392 and 1552 MPa, demonstrating significant potential for high-temperature applications. The fine eutectic structure not only enhances the alloy's performance, enabling it to outperform similar dual-phase systems, but also provides valuable insights for designing silicide-reinforced RHEAs with outstanding properties.
The solid-state synthesis of H2TiO3 (HTO) lithium ion-sieves is highly sensitive to the particle size of the TiO2 precursor, which governs both structural properties and ultimate adsorption performance. This study reveals a striking morphological convergence during the synthesis of Li2TiO3 (LTO) intermediates: despite employing TiO2 precursors spanning 15-40 nm, the resulting LTO particles consistently exhibited a narrow size range of 28-32 nm, indicating a distinctive size-regulation mechanism in the solid-state reaction. In contrast, precursors >= 60 nm led to fragmented structures with reduced crystallinity. Leveraging this finding, we identified 40 nm as a critical precursor size for crafting optimal HTO adsorbents. The 40 nm-derived HTO (40-HTO) delivered a superior equilibrium Li+ adsorption capacity of 58.02 mg g(-1), a pseudo-second-order rate constant 2.3-fold higher than that of its 150 nm-derived counterpart, and exceptional cyclic stability (<0.15 % Ti dissolution over 10 cycles). Importantly, in a simulated concentrated brine with a high Mg2+/Li+ mass ratio of 20, 40-HTO maintained a high Li+ uptake of 36.5 mg g(-1) and exhibited exceptional selectivity, with a separation factor as high as 780. This work underscores precursor size engineering, targeting a critical size threshold, as a vital strategy for developing high-efficiency lithium ion-sieves.
The electromagnetic stirring method has become one of the important methods for producing semi-solid slurries. Researchers typically use numerical models based on constant thermophysical parameters to predict the desired metrics. However, due to the fact that thermophysical parameters vary with temperature, this model leads to deviations in simulation results. Consequently, in this study, a three-dimensional model based on dynamic thermophysical parameters was constructed to simulate the electromagnetic field-velocity field-temperature field during the electromagnetic stirring of semi-solid aluminum alloy melt. Furthermore, the results were compared with those a constant-parameter model. The simulation model was verified through experiments such as magnetic induction strength measurement, temperature measurement, and metallurgical morphology analysis. The results reveal that the fluctuation trend of velocity at monitoring points obtained from the dynamic thermophysical parameters model exhibits better consistency with the actual situation during three-phase alternating-current electromagnetic stirring. Meanwhile, the temperature distribution trend predicted by the dynamic parameter model aligns more closely with the measured data. In addition, at the monitoring points, the simulated curve based on the dynamic thermophysical parameter model demonstrates superior agreement with the experimental measured values.
Titanium niobium oxide (TiNb2O7, TNO) holds great promise as an anode material for lithium-ion batteries but is hindered by insufficient intrinsic capacity and sluggish Li+ diffusion kinetics in practical applications. Herein, we report a high-performance TNO-based nanocomposite fabricated via a synergistic strategy integrating Pr3+ doping and encapsulation in a N/O/S tri-doped honeycomb-like porous carbon framework. Pr3+ ions with a large ionic radius (1.126 & Aring;) are incorporated into TNO nanospheres (100-200 nm), inducing oxygen vacancies and lattice expansion to broaden ion diffusion pathways and accelerate Li+ transport. Simultaneously, the tri-doped honeycomb carbon serves as a three-dimensional conductive network, efficiently buffers volume variations during cycling, and constructs robust Ti-O-C heterointerfaces, which collectively reduce Li+ diffusion barriers. Benefiting from these synergistic effects, the optimized composite exhibits exceptional electrochemical performance: the half-cell delivers a specific capacity of 205.61 mAh g(-1) at 20C and retains 174.79 mAh g(-1) after 2000 cycles (retention rate > 85%), whereas the full-cell assembled with a LiFePO4 cathode maintains 115.39 mAh g(-1) after 2000 cycles at 10C. This work highlights that the synergistic integration of Pr3+ doping and carbon heterointerface engineering significantly enhances the lithium storage kinetics and structural stability of TNO-based anodes, offering a promising strategy for the development of advanced high-performance lithium-ion battery electrodes.