Heterogeneous Fenton-like catalysis is promising for dye-laden wastewater treatment, but practical application requires catalysts that are easily recoverable, pH-adaptable and mechanistically well supported. Herein, a quadripartite CrCoFeNi nanocomposite (qMNC) was synthesized by a solvothermal method and annealed at 600 °C to obtain qMNC@600. The catalyst exhibited high saturation magnetization (57.63 emu/g), enabling rapid magnetic separation and recycling. Using 0.12 % H2O2, qMNC@600 achieved > 95 % discoloration of five structurally diverse dyes (100 mg/L) within 12 h, with optimal performance at pH 2 for CBB, CV and MO and at pH 7 for AR and MG. Mixed-dye experiments further demonstrated pH-adaptable discoloration of binary and ternary dye systems. Scavenging results suggest that freely diffusing OH and O2− are unlikely to be the sole dominant oxidizing species, while metal-associated oxidizing intermediates and possible dye-derived alkoxyl/peroxyl-related intermediates may contribute to chromophore cleavage and oxidative fragmentation. Additional TOC and ICP-MS analyses revealed dye-dependent partial organic carbon removal or soluble intermediate accumulation, together with pH-dependent metal leaching, clarifying the trade-off among discoloration efficiency, organic carbon transformation and catalyst durability. qMNC@600 maintained high discoloration efficiency for AR and MG over 10 cycles under near-neutral conditions, but deactivated after three cycles at pH 2, consistent with Fe/Ni leaching, weakened surface Ni signal and magnetization loss after acidic treatment. From a chemical engineering perspective, this work demonstrates a magnetically recoverable and pH-responsive multi-metal catalyst and provides an integrated framework for evaluating heterogeneous Fenton-like systems through discoloration, TOC transformation, metal leaching and long-term stability.
In contrast to conventional neutron imaging by measuring the attenuation contrast, polarized-neutron imaging (PNI) has proved to be a powerful tool for investigating the spatial distribution of magnetic fields inside and around bulk samples owing to the intrinsic magnetic moment of neutrons. This technique benefits from the measurement of the cumulative precession of the neutron polarization passing through a magnetic field. We report the recent development of the PNI capability at the China Advanced Research Reactor (CARR), where two neutron imaging instruments (thermal and cold) have been established. To further develop and realize the PNI technique, a PNI facility consisting of a double-crystal pyrolytic graphite monochromator, supermirror polarizer with three parallel V-shaped cavities and an in situ optically pumped ^3 He neutron spin filter as a neutron spin analyzer was successfully developed and tested based on an established cold neutron imaging instrument. This setup will be beneficial for enhancing neutron imaging and neutron optics in CARR in the future.
Layered P2-type transition-metal oxides are promising cathode materials for sodium-ion batteries (SIBs) due to their high specific capacity and rapid Na+ diffusion, but their Na-deficient nature would induce high-voltage phase transitions and limit the quantity of active sodium ions in full cells, impeding the practical implementation of such materials. Herein, we report a P2-Na0.91Ni0.18Cu0.08Mn0.74O2 (H-Ni0.18) cathode with an ultrahigh Na content of 0.91 enabled by a "droplet-like" Na/vacancy ordering. This Na-layer superstructure ordering at such a high Na level, systematically confirmed by synchrotron X-ray techniques, neutron diffraction, and theoretical computations, effectively minimizes the electrostatic repulsion among Na ions and lowers the total system energy, thereby stabilizing the P2 framework during synthesis. Benefiting from this high-Na configuration, the H-Ni0.18 cathode demonstrates pure solid-solution reaction behavior within 2.0-4.3 V and excellent cycling performance in half-cells. More impressively, the H-Ni0.18 cathode can also act as an intrinsic self-sacrificial Na reservoir, enabling the assembled H-Ni0.18//hard carbon full cell to achieve a respectable cycling stability (82.8% capacity retention after 150 cycles), superior to its low-Na analogue. This unique ordering-structure engineering provides a new design paradigm for developing ultrahigh-Na-content P2-type cathode materials for high-performance SIBs.
Residual stress is one of the main factors affecting the high temperature mechanical properties of blades. At present, there is no publicly reported research on the accurate measurement of three-dimensional stress of nickel-based single crystal superalloy blades. In this study, a method which can accurately measure the three-dimensional stress of nickel-based single crystal superalloys by neutron diffraction was established. Based on the elasticity theory, the relationship between the lattice strain in the laboratory coordinate system and the macroscopic stress in the sample coordinate system was established according to the relationship between strain and stress in the single crystal coordinate system. By measuring the strain of multiple crystal planes, the method of multiple linear regression equation was used to calculate the three-dimensional stress of nickel-based single crystal superalloy. In-situ tensile experiments were designed to obtain the stress components of Nickel-based single crystal superalloys under different tensile forces. Comparing the known stress σ33′ with the measured stress σ33 it was found that the difference between the two was very small, which was within the allowable error range of the neutron diffraction experiment. This verified the reliability of the three-dimensional stress test method of neutron diffraction nickel-based single crystal superalloy. Finally, the influence of crystal plane combination on the stress test results was studied. This study provides an experimental basis for subsequent single crystal blade measurement.
The effect of grain boundaries on small-angle neutron scattering (SANS) was investigated for pure nickel. A series of annealed cold-rolled nickel samples were characterized by SANS, electron backscatter diffraction (EBSD), X-ray diffraction (XRD), and transmission electron microscopy (TEM). The experimental results indicate that the proportion of low-angle grain boundaries (LAGBs) has a noticeable influence on the scattering intensity. Cold-rolled samples exhibited a similar proportion of LAGBs, leading to only slight differences in scattering intensity. The scattering intensity was found to be dependent on annealing time and temperature. For samples with low degrees of recrystallization, a large number of LAGBs remained, resulting in high scattering intensity at low q. In contrast, samples with a high degree of recrystallization showed a significant reduction in LAGBs, which caused a noticeable decrease in SANS intensity.
15-15Ti austenitic stainless steel has high-temperature creep resistance and irradiation stability due to dispersed TiC nanoprecipitates in the material. In this study, we employ Small-Angle Neutron Scattering (SANS), Xray Diffraction (XRD), Transmission Electron Microscopy (TEM), Electron Backscatter Diffraction (EBSD), and Neutron Diffraction to investigate the evolution of TiC nanoprecipitates and dislocation density during creep (at 625 degrees C and 350 MPa) and heat treatment at the same temperature. The results reveal that during creep, TiC precipitates undergo rapid nucleation and growth, followed by a steady-state phase, and then a second rapid growth phase until creep fracture, with the final average diameter remaining below 10 nm. In contrast, during heat treatment, TiC precipitates also nucleate and grow rapidly but subsequently stabilize at a smaller average size than those observed in creep samples. Notably, a significant reduction in dislocation density during the tertiary creep stage is evidenced by a sharp drop in SANS data in the high-Q range, corroborated by TEM and XRD. This reduction was not observed during heat treatment. The regrowth of TiC precipitates during creep is closely associated with dislocation density reduction. These findings demonstrate that TiC precipitate regrowth is intrinsically linked to dislocation annihilation during creep deformation. The applied creep strain promotes dislocation motion, while the high binding energy between Ti/C solutes and dislocations facilitates efficient solute transport via dislocation migration. When these solute-laden dislocations interact with existing TiC precipitates, they become pinned, creating localized regions of Ti and C supersaturation that drive precipitate regrowth.
P'2-type manganese-based layered oxides (NaxMnO2, 0.5 < x < 0.8 usually) have emerged as promising cathode materials for sodium-ion batteries (SIBs), primarily due to their ability to deliver higher capacity compared to P2-type layered oxides. However, the underlying mechanism behind this high capacity still remains unclear, and the cycling stability has been a challenge. Given that distinct Na+ occupation environments (edge-shared Nae and face-shared Naf) in P-type cathodes have different electrochemical kinetics, this study establishes a direct correlation between the high capacity of the P'2 structure and the high Nae/Naf ratio. The theoretical simulation confirms that the P'2 structure can accommodate more Na+ at the Nae site, which features a lower migration energy barrier and enhanced migration. Guided by this insight, a dual-approach rational design─combining quenching treatment and Ti/Fe codoping─is proposed to harvest the high-capacity and high-stability P'2-Na0.67Ti0.1Fe0.05Mn0.85O2 cathode. Quenching enables the formation of P'2-structure with a high Nae/Naf ratio of 2.1 (compared to the typical ∼ 1.00), delivering a higher capacity of 190.3 mAh g-1 at 0.1 C between 2.0 and 4.0 V (the naturally cooled cathode only exhibits 130.2 mAh g-1 at 0.1 C); Furthermore, Ti4+ (3d0, unfilled) and Fe3+ (3d5, half-filled) are introduced into P'2-Na0.67MnO2 for suppressing Na+/vacancy ordering and stabilizing the structure, resulting in excellent cycle stability with 96.9% capacity retention after 350 cycles at 5 C. This strategy provides a pathway to improve the reversible capacity of Mn-based layered cathodes for sodium-ion batteries.
This study comprehensively evaluates a non-weldable nickel-cobalt-based superalloy fabricated using laser powder bed fusion (LPBF) technology. The investigation systematically examined the impact of heat treatment, specifically solution treatment and solution treatment followed by aging treatment, on the microstructural characteristics and the evolution of residual stress within the alloy. The findings indicated that the as-built Ni-Co-based superalloy predominantly consists of equiaxed crystals and epitaxial columnar crystals, with no formation of the γ′ phase observed. After the solution treatment, the alloy experienced equiaxed columnar crystallization, recrystallization, and grain refinement. Additionally, a significant quantity of γ′ phases within the alloy exhibited a specific arrangement and precipitation. Following the aging treatment, there was an observed increase in the average dimensions of both the γ′ phase and the grains within the alloy. The evolution of residual stress distribution perpendicular to the construction direction in the alloy, both before and following heat treatment, was assessed using the contour method. The results showed that heat treatment progressively diminished the residual stress levels within the alloy. Furthermore, this study discusses the interrelationship between residual stress and the microstructural evolutions of nickel-cobalt-based superalloys throughout the heat treatment process.
Mn-based kagome Materials have garnered extensive attention due to their unique topological electronic structures and remarkable electromagnetic transport responses. In this work, we present a comprehensive study of the magnetic and electrical transport properties of the kagome ferromagnet Mn4.2Ga2.47Sn0.33. We demonstrate that Mn4.2Ga2.47Sn0.33 adopts the hexagonal Fe6.5Ge4-type structure and exhibits an easy-axis ferromagnetic structure with distinct magnetic anisotropy below the Curie temperature T-C similar to 365 K. The electrical resistivities in two crystallographic directions features a shallow hump-like characteristic near T-C. The magnetoresistance is positive at low temperatures and turns negative above 60 K for the H // ab plane and H // c axis. Notably, the magnetoresistance shows nearly linear dependence without saturation up to 5 T for both configurations. A significant anomalous Hall effect dominated by the skew scattering mechanism is observed in Mn4.2Ga2.47Sn0.33, which is attributed to the asymmetric scattering of impurity atoms. This finding expounds the importance of the skew scattering mechanism in anomalous Hall effect of Mn-based kagome ferromagnets.
Full-manganese (Mn) Li-rich materials have gained attention owing to the limited availability of cobalt- or nickel-based cathodes commonly used in batteries, which greatly restricts their potential for large-scale application. However, their practical implementation is hindered by the rapid voltage/capacity decay during cycling and the long-standing problem of redox kinetics due to their poor ionic conductivity based on the ordered honeycomb structure. In this study, the kinetic and thermodynamic properties of intralayer disordered and ordered Li-rich full-Mn-based cathode materials were compared, demonstrating that the disordered R 3 m $R\bar{3}{m}$ Li0.6[Li0.2Mn0.8]O2 (D-LMO) delivers a significant advantage of rate capability over the ordered C 2 / m $C2/m$ Li0.6[Li0.2Mn0.8]O2 (O-LMO). Meanwhile, the D-LMO keeps superior capacity retention of up to 99% after 50 cycles under 25 mA g-1. In comparsion, the capacity retention of the O-LMO drops to just 70%, and its average discharge voltage is 0.2 V lower than that of the D-LMO. Herein, we conducted systematic density functional theory (DFT) simulations, focusing on the electronic structure modulation governing the voltage platform between the ordered and disordered phases. The ab initio molecular dynamics (AIMD) results indicated that the energy of the intralayer disordered structure fluctuates around the equilibrium position without any abrupt drops, demonstrating excellent stability. This study enhances the understanding of intralayer disordered full-Mn Li-rich material and provides insights into the design of low-cost, high-performance cathode materials for Li-ion batteries.
This study establishes a robust small-angle neutron scattering (SANS) methodology for the quantitative characterization of γ matrix channel widths in the nickel-based single-crystal superalloy DD10. By combining SANS with TEM analyses and modeling the one-dimensional SANS data via a polydisperse lamellar model, we accurately determined the channel width distribution across macroscopic sample volumes. In the virgin state, the mean channel widths were nearly isotropic, measuring 17.8 ± 0.1 nm along [002] and 20.5 ± 0.1 nm along [020]. After standard heat treatment (solution and two-step aging), significant anisotropic coarsening was observed, with widths increasing to 36.8 ± 0.2 nm along [002] and 28.0 ± 0.1 nm along [020], indicating stress-free rafting. Elemental mapping revealed substantial redistribution of key alloying elements: Al content in γ′ precipitates increased by 2.6 at.%, while Cr in the γ channels rose by 5.9 at.%. These quantitative results demonstrate that SANS provides reliable, bulk-statistical insights into nanoscale channel geometry, highlighting its critical role in influencing elemental diffusion kinetics and microstructural evolution during thermal exposure.
O3-type layered oxides have attracted wide attention as cathode materials for Na-ion batteries owing to high theoretical specific capacity and easy preparation process. However, O3-type layered oxides suffer generally complex phase transitions during charge-discharge process, which adversely influences the structural reversibility and electrochemical performance. To solve these issues, we applied a high-entropy strategy to design an O3-type Na0.94Ni0.24Cu0.1Zn0.05Fe0.1Al0.06Mn0.30Ti0.15O2 layered oxide that not only integrates the advantages and functionalities of different components, but also provides entropic stabilization to enhance the stability of crystal structure during the charge-discharge course. As a result, this as-prepared O3-type material shows a highly reversible phase transition behavior of O3-P3-P3' upon deintercalation and intercalation of sodium ion, which results in the enhanced structural reversibility and cycling stability. Therefore, this material delivers superior cycling stability (more than 75 % of capacity retention after 900 cycles), as well as rate capability with the capacity retention of 78 % at 5C rate. These investigations provide new insights into the development of advanced layered oxide cathodes with multiple components.
In this study, the structure and exchange interaction of Ni2In type (P63/mmc) (Mn, Co)2Sn single crystals were investigated using neutron diffraction, bulk magnetization, and the first-principle calculation. In Mn1.8Co0.2Sn, Co occupies only the 2d site and the magnetic cell is doubled along the c axis below Tt. Although the Ms, Tc, Tt, -Delta SM max, and RCP of Mn1.8Co0.2Sn are lower than that of Mn2Sn, Mn1.8Co0.2Sn enhances the magnetocrystalline anisotropy and coercivity. The critical exponents and Tc were determined (beta = 0.417, gamma = 1.189, delta = 3.852, Tc = 232 K for Mn2Sn. beta = 0.532, gamma = 1.387, delta = 3.607, Tc = 130 K for Mn1.8Co0.2Sn). The critical behaviors indicate that Co doping improves the spin dimensionality and enlarges the range of spin interactions. The results of firstprinciple calculations show that there is a strong positive exchange interaction between the 3d electrons of Mn1 and Co.
In this paper, the texture evolution of Ti3V2Hf2.5Ta2.5 refractory multicomponent alloy under various processing conditions were systematically studied using neutron diffraction. Besides, the electron backscattering diffraction was performed to discuss the mechanisms of texture formation. The results show that after cold rolling with a thickness reduction of 20 %, 50 % and 85 %, respectively, the texture intensity increases continuously with the increase in the thickness reduction. Stable deformation components of alpha and gamma fiber orientations {001} <110>, {111} <110>, {111} <112> and {111} <231> are formed in the alloy through the joint mechanism of {112} <111> slip system activation and deformation twins. Meanwhile, the weak texture component of eta fiber orientation {001} <100> appears attributing to shear stress. After annealing under different conditions, texture intensity decreases significantly with the increases in annealing time or annealing temperature. Partial deformation texture components are remained, while new texture components such as {113} <110> and {112} <110> appear, as a result of recrystallization and recovery existing simultaneously, selective growth and oriented nucleation mechanisms competing with each other. Moreover, under the same annealing conditions, sample with larger cold rolling deformation exhibits stronger texture.
Eutectic high entropy alloy (EHEA) has attracted much attention due to its outstanding properties, which are commonly fabricated through conventional manufacturing methods. Additive manufacturing (AM) techniques that can create near-net components provide opportunities for rapid prototyping EHEAs. This study elucidated the microstructural evolution mechanisms of Fe36Ni35Al17Cr10Mo2 EHEA fabricated by directed energy deposition (DED) via XRD, SEM, and EBSD. The dual-phase dendrite structure, micro-scale heterogeneous grains, and nano-scale BCC phases collectively formed the hierarchical microstructure in the DEDed alloy. We used neutron diffraction to demonstrate texture components and their relation to mechanical behaviors. {013}<100> texture possesses the highest Schmid factor compared to other textures, causing texture-induced softening of the FCC and B2 phases during tension. {233}<0 <(1)over bar> 1> texture exhibits the low SF and hard orientation for the B2 phase. Due to the synergistic plastic deformation between FCC and B2 phases and precipitation strengthening from the BCC phases, the DEDed Fe36Ni35Al17Cr10Mo2 exhibits an ultimate strength of similar to 1267 MPa with an elongation of similar to 20.1 % at room temperature. Moreover, the elevated-temperature tensile testing and crack analysis were employed to indicate the elevated-temperature fracture behaviors. We found that the nucleation and propagation of microcracks were suppressed at the phase boundary at elevated temperatures, avoiding brittleness and achieving excellent high-temperature mechanical properties. These results are expected to open ever-bright prospects for additive manufacturing Co-free high-performance EHEAs.
Altermagnetism has been proposed as a distinct class of antiferromagnets exhibiting momentum-dependent spin splitting band structures without requiring spin-orbit coupling. Recently, KV2Se2O has been identified as a metallic room-temperature altermagnet with d-wave spin-momentum locking. Here, we investigate the magnetic structure of KV2Se2O in both polycrystalline and single-crystal samples using neutron diffraction techniques. The system exhibits G-type antiferromagnetic structure with a N & eacute;el temperature TN approximate to 400 K. Notably, substantial broadening of magnetic peaks was observed along L at low temperatures in single crystals, consistent with the coexistence of G-type AFM order and a c-axis spin density wave. These results demonstrate that bulk KV2Se2O cannot host altermagnetism.
Two novel out-of-plane ordered quaternary borides M'4 VSiB2 (M' = Nb and Mo) have been synthesized. The out-of-plane ordered characteristic has been confirmed by the X-ray diffraction, the neutron powder diffraction and the scanning transmission electron microscopy with high-angle angular dark field images. By adjusting the stoichiometric ratio of Mo and V, the 16 l site preferentially occupied by relatively larger atom and 4 c site by relatively smaller atom have been confirmed. The further first-principle calculation demonstrates the dynamical and thermodynamical stability of Mo4 VSiB2 o -T2 phase. This work confirms the transition metal occupation strategy of o -T2 phase and enriches the out-of-plane ordered laminated borides family. (c) 2025 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
Residual stress plays a critical role throughout the lifecycle of high-speed wheels, from manufacture to service. To prevent residual stress from becoming an uncertain factor affecting the safety of service, it is essential to attain a comprehensive understanding of the residual stresses present and its development during the service lifecycle within the wheel. This investigation integrates neutron and X-ray diffraction techniques to comprehensively characterize the residual stresses evolution in the railway wheels during service. Our findings reveal that in-service condition induce negliglible modifications to surface stresses at typical crack initiation sites, instead, the evolution of residual stresses primarily occurs in the subsurface and deeper regions. Specifically, for the rim, service leads to a reduction in compressive stress in the deeper areas, which correlates with lower crack propagation resistance; however, cracks are rarely observed in this region. In contrast, for the web, service markedly increases the tensile stresses in the subsurface, with radial tensile stresses escalating to 250 MPa, necessitating serious consideration of their potential impact on service performance. Additionally, the balance of residual stresses reveals that the radial tensile stresses in the web are the predominant contributors to the rim's compressive stresses. Notably, the increase in rim compressive stress is only half of the increase observed in web tensile stress, and the stress augmentation in the rim is primarily concentrated in the deeper region. Consequently, the design of residual stresses in the wheel should account for both stress equilibrium and the stress evolution induced by service. This study is grounded in diffraction data and aims to promote the optimization of wheel design from a residual stress perspective.
In this study, manganese vacancy and Li-ion are introduced into Na2/3[Ni1/6Mn5/6]O2 to tailor the relationship between the structure and property. Neutron and X-ray diffraction confirm a structural transition from disordering to ordering in the transition-metal layers to form an in-plane honeycomb structure in the designed Na5/ 6[Ni1/6Li1/6 square 1/18Mn2/3]O2 (V-NNM, square = Mn vacancy) material, which, for the first time, benefits from the Mn vacancies in transition-metal sites. Besides, neutron diffraction also uncovers that V-NNM adopts the P2 structure with the P63 space group, different from the P63/mmc space group by X-ray diffraction (XRD), and doped Li ions mainly enter the transition-metal sites in V-NNM. Electrochemical measurements demonstrate that V-NNM delivers a reversible specific capacity close to the theoretical value and long-term cycling stability (71.6% capacity retention after 1000 cycles). V-NNM also exhibits the excellent high-rate performance, such as the reversible capacities of 72.5%, 63.7%, 57.1% and 50.5% relative to the theoretical value at 10 C, 15 C, 20 C and 25 C, respectively, indicating the fast Na-storage. Theoretical calculations and molecular dynamics simulations further validate the structural disorder-to-order transformation, decreased band gap and enhanced Na+ diffusion kinetics in V-NNM, which are responsible for the electrochemical performance. In addition, in situ XRD experiments disclose a complete solid-solution reaction layered cathode accompanied by near zero-strain characteristic upon charging and discharging, ensuring the structural integrity and stability, as well as the resulting electrochemical performance. This work paves the way for comprehending and optimizing the structure-property relationship of layered materials for sodium-ion batteries.
Full‐manganese (Mn) Li‐rich materials have gained attention owing to the limited availability of cobalt‐ or nickel‐based cathodes commonly used in batteries, which greatly restricts their potential for large‐scale application. However, their practical implementation is hindered by the rapid voltage/capacity decay during cycling and the long‐standing problem of redox kinetics due to their poor ionic conductivity based on the ordered honeycomb structure. In this study, the kinetic and thermodynamic properties of intralayer disordered and ordered Li‐rich full‐Mn‐based cathode materials were compared, demonstrating that the disordered Li 0.6 [Li 0.2 Mn 0.8 ]O 2 (D‐LMO) delivers a significant advantage of rate capability over the ordered Li 0.6 [Li 0.2 Mn 0.8 ]O 2 (O‐LMO). Meanwhile, the D‐LMO keeps superior capacity retention of up to 99% after 50 cycles under 25 mA g −1 . In comparsion, the capacity retention of the O‐LMO drops to just 70%, and its average discharge voltage is 0.2 V lower than that of the D‐LMO. Herein, we conducted systematic density functional theory (DFT) simulations, focusing on the electronic structure modulation governing the voltage platform between the ordered and disordered phases. The ab initio molecular dynamics (AIMD) results indicated that the energy of the intralayer disordered structure fluctuates around the equilibrium position without any abrupt drops, demonstrating excellent stability. This study enhances the understanding of intralayer disordered full‐Mn Li‐rich material and provides insights into the design of low‐cost, high‐performance cathode materials for Li‐ion batteries.