Mechanical Stability Research Articles

Breaking new ground in metal-ion battery anodes: First principles design of Dirac nodal line semimetallic carbon materials

With the rapid development of electronic devices, the demand for batteries has gradually increased, and existing batteries can no longer satisfy it. In this paper, a three-dimensional honeycomb carbon material is designed and termed pmma-C32. The mechanical stability, dynamic stability, thermal stability, and mechanical stability were investigated through first-principles molecular dynamics, phonon spectrum, and the Born-Huangkun criterion. The calculation results show that pmma-C32 not only has good thermodynamic stability, but also has static stability. Similar to graphene, pmma-C32 exhibits semi-metallic characteristics, featuring two Dirac node lines with high Fermi velocity, indicating a high capacity for electron transport. As a metal-ion battery material, pmma-C32 exhibits higher theoretical capacity(836.8, 732.2, and 418.4 mA h/g for Li, Na, and K), lower diffusion barrier (0.06–0.12 eV for Li, 0.10–0.11 eV for Na, and 0.05–0.06 eV for K), and lower open circuit voltage (0.34 V for Li, 0.37 V for Na, and 0.74 V for K). These remarkable properties endow semimetallic pmma-C32 as a promising anode material for metal-ion batteries, providing fast charge and discharge rates. This research not only broadens the family of three-dimensional carbon materials, but also greatly improves the performance for universal metal-ion battery anode materials through material structure design.

Fluorine-Rich Electrolyte Additive for Achieving Dendrite-Free Lithium Anodes at Low Temperatures.

The practical application of lithium metal anodes is significantly impeded by poor interfacial stability and uncontrolled dendrite growth. Herein, we introduce methyl trifluoroacetate (MTFA), a low-melting-point small molecule, as an electrolyte additive in an ether-based electrolyte. This additive facilitates the formation of an in situ composite solid electrolyte interphase (SEI) layer that is rich in LiF and features an ester-based flexible matrix. The resulting composite layer exhibits high ionic conductivity and mechanical stability, effectively regulating the lithium deposition behavior over a broad temperature range and inhibiting dendrite formation. Based on MTFA, the Li||Li symmetrical cell achieves a lifespan exceeding 5000 h at room temperature and 800 h at -20 °C, both with ultralow overpotential and exceptional cycling stability. In Li||LiFePO4 full cells with a high-area loading (10.52 mg cm-2) and an N/P ratio of 1.68, an average capacity decay of merely 0.096% per cycle is observed over 200 cycles. Even at -20 °C, the Li||LiFePO4 cell shows a CE of over 99% and maintains stable cycling performance. This work provides an innovative approach for optimizing lithium metal anode interfaces and enhancing low-temperature operation capabilities through the use of electrolyte additives.

An artificial layer enables in situ generation of a homogeneous inorganic/organic composite solid electrolyte interphase for stable lithium metal batteries.

Lithium (Li) metal anodes are considered one of the most promising anodes for high-performance batteries with ultra-high specific energy density. However, uncontrolled dendrite growth and the unsuitability of common systems for high voltage hinder the development of Li metal batteries with long cycle life. Herein, we report a rationally designed artificial solid electrolyte interphase (SEI) for Li metal anodes, incorporating LiNO3 and lithium difluoro(oxalato)borate (LiDFOB) as additives within a porous poly (vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) polymer skeleton (referred to as PNF). LiNO3 and LiDFOB can release and synergistically react at the electrode surface, leading to the in situ generation of a homogeneously distributed inorganic/organic SEI during the electrochemical process. This SEI improves homogeneity, ionic conductivity and mechanical stability, contributing to the suppression of electrolyte side reactions and Li dendrite growth. Moreover, a uniform CEI with high Li+ conductivity can be constructed on the NCM811 particles, further enhancing the structural integrity of the NCM811 cathode. As a result, the artificial SEI layer on Li metal anodes enables stable cycling of Li-Cu half cells in an ester-based electrolyte and Li-LiNi0.8Mn0.1Co0.1O2 full cell even at a high voltage of 4.5 V. This work provides new insights into designing homogeneous SEIs for Li metal batteries.

Computational insight on K2AuBiX6 (X = F, Cl, Br, I) double perovskites to comprehensively investigate mechanical, optoelectronic, and thermoelectric features for green energy applications

In this article, we investigated the structural, elastic, electronic, optical, and thermoelectriccharacteristics of K2AuBiX6 (X = F, Cl, Br, and I) using density functional theory (DFT). To verify the stability of the cubic structure tolerance, octahedral factors, and formation energy have been determined. The mechanical stability has been governed by Born stability criteria. These parameters ensure its strength, ductility, brittleness, and anisotropy. The bandgaps of K2AuBiF6, K2AuBiCl6, K2AuBiBr6, and K2AuBiI6 have been determined using the TB-mBJ potential. The calculated values of energy band gaps are 2.88, 2.02, 1.38, and 0.95 eV, respectively. These materials exhibit a broad absorption in visible regions, a refractive index range of around 1–3, and low light scattering, which makes them ideal for optoelectronic applications. In addition, the figure of merit (ZT) values for these compounds at room temperature are 0.76, 0.78, 0.77, and 0.80, ensuring their suitability for use in thermal devices.

Ultralight M5 aerogels with superior thermal stability and inherent flame retardancy.

Ultra-lightweight materials often face the formidable challenge of balancing their low density, high porosity, high mechanical stiffness, high thermal and environmental stability, and low thermal conductivity. This study introduces an innovative method for synthesizing high-performance polymer aerogels to address the challenge. Specifically, we detail the production of poly (2,5-dihydroxy-1,4-phenylene pyridine diimidazole) (PIPD or M5) aerogels. This process involves chemically stripping M5 "super" fibers into nanofibers, undergoing a Sol-Gel transition, followed by freeze-drying and subsequent thermal annealing. The M5 aerogels excel beyond existing polymer aerogels, boasting an ultralight density of 6.03 mg cm-3, superior thermal insulation with thermal conductivity at 32 mW m-1 K-1, inherent flame retardancy (LOI = 50.3%), 80% compression resilience, a high specific surface area of 462.1 m2 g-1, and outstanding thermal stability up to 463 °C. These multi-faceted properties position the M5 aerogel as a front-runner in lightweight insulation materials, demonstrating the strategic use of high-performance polymer assembly units in aerogel design.

Effects of Porous Supports and Binary Gases on Hydrogen Permeation in Pd-Ag-Y Alloy Membrane

This study investigates the effects of various porous supports and the presence of additional gases in the feed on hydrogen permeation using an unsupported Pd82-Ag15-Y3 membrane. The pore sizes and thicknesses of metallic supports varied from 1 to 270 μm and 50 to 3000 μm, respectively. The membrane was unsupported, synthesized by cold-rolling, and characterized by a thickness of 38 μm. The tests were performed at 400 °C with pressures ranging from 1.4 – 3 bar. Results showed that the unsupported Pd82-Ag15-Y3 membrane reached 12% and 267% higher hydrogen permeation than the supported membrane by 1 μm pore size and 50 μm thick woven mesh, and 1 μm pore size and 3 mm thick of porous stainless steel (PSS), respectively. The unsupported Pd82-Ag15-Y3 membrane showed one of the highest hydrogen permeability in the literature (7.5 10-8 mol.m-1.s-1.Pa-0.5 at 400 °C). However, the presence of porous supports used to enhance the mechanical stability of the membrane negatively affected the hydrogen permeation due to mass transfer limitation. In addition, the presence of supports induced an unreal ‘n’ value for the Pd-based membrane, where the ‘n’ value is the exponent of the driving force in the equation of hydrogen transport, varying between 0.5 and 1. In particular, for the unsupported membrane, the ‘n’ value was 0.6, but it increased to 0.7 and 0.8 when supports with 1 μm pore size and 50 μm thick and 5 μm and 80 μm thick were utilized. Binary hydrogen permeation tests were also performed in the presence of N2, CH4, CO2, and CO at 400 °C by using unsupported and supported membranes to investigate the reduction in hydrogen permeation flux due to the effect of the supports plus the effect of the presence of other gas. The results revealed that CO had the highest inhibition effect for all the unsupported and supported membranes tested due to competitive adsorption on the surface. No superficial adsorption on the membrane was observed for N2, CH4, and CO2 during permeation, and they inhibited hydrogen permeation mainly due to depletion, dilution, and concentration polarization. The PSS_1-3000 indicated the lowest hydrogen permeation between the gas mixture and the porous support, whereas the presence of 40% of the binary gas mixture had lower hydrogen permeation than porous support except for the PSS.

A three filament mechanistic model of musculotendon force and impedance

The force developed by actively lengthened muscle depends on different structures across different scales of lengthening. For small perturbations, the active response of muscle is well captured by a linear-time-invariant (LTI) system: a stiff spring in parallel with a light damper. The force response of muscle to longer stretches is better represented by a compliant spring that can fix its end when activated. Experimental work has shown that the stiffness and damping (impedance) of muscle in response to small perturbations is of fundamental importance to motor learning and mechanical stability, while the huge forces developed during long active stretches are critical for simulating and predicting injury. Outside of motor learning and injury, muscle is actively lengthened as a part of nearly all terrestrial locomotion. Despite the functional importance of impedance and active lengthening, no single muscle model has all these mechanical properties. In this work, we present the viscoelastic-crossbridge active-titin (VEXAT) model that can replicate the response of muscle to length changes great and small. To evaluate the VEXAT model, we compare its response to biological muscle by simulating experiments that measure the impedance of muscle, and the forces developed during long active stretches. In addition, we have also compared the responses of the VEXAT model to a popular Hill-type muscle model. The VEXAT model more accurately captures the impedance of biological muscle and its responses to long active stretches than a Hill-type model and can still reproduce the force-velocity and force-length relations of muscle. While the comparison between the VEXAT model and biological muscle is favorable, there are some phenomena that can be improved: the low frequency phase response of the model, and a mechanism to support passive force enhancement.

Boosting Zinc‐Ion Storage Capability in Longitudinally Aligned MXene Arrays with Microchannel Architecture

AbstractFlexible Zn2+ ion hybrid capacitors (ZHCs) will play a crucial role in developing next‐generation wearable products, which demand portability, durability, and environmental adaptability. To further meet these requirements, Ti3C2Tx MXene with exceptional conductivity and robust mechanical properties can be utilized as cathodes, except for challenges such as the dense stacking of Ti3C2Tx nanosheets. In this study, a novel MXene cathode architecture has been developed with the facilitation of an ice template, which creates longitudinally aligned Ti3C2Tx arrays with microchannels. The introduction of hydrochloric acid to the Ti3C2Tx slurry induces a crumpled morphology, increasing active sites and enhancing ion transport with expanded interlayer spacing. Interestingly, experimental results and COMSOL simulations verify that the cathode structure also has effective impacts on the Zn anode with a weakened ion concentration gradient and suppressed dendrite formation. Consequently, the ZHCs exhibit enhanced electrochemical performance with excellent rate performance and long‐term cycling stability (enduring over 50 000 cycles at 5 A g−1) and further deliver a reliable low‐temperature operation by applying an anti‐freezing electrolyte. Moreover, flexible ZHCs assembled with gel electrolytes demonstrate excellent flexibility, improved rate performance, and mechanical stability, making them well‐suited for flexible electronics that power flexible LED panels.

A three filament mechanistic model of musculotendon force and impedance.

The force developed by actively lengthened muscle depends on different structures across different scales of lengthening. For small perturbations, the active response of muscle is well captured by a linear-time-invariant (LTI) system: a stiff spring in parallel with a light damper. The force response of muscle to longer stretches is better represented by a compliant spring that can fix its end when activated. Experimental work has shown that the stiffness and damping (impedance) of muscle in response to small perturbations is of fundamental importance to motor learning and mechanical stability, while the huge forces developed during long active stretches are critical for simulating and predicting injury. Outside of motor learning and injury, muscle is actively lengthened as a part of nearly all terrestrial locomotion. Despite the functional importance of impedance and active lengthening, no single muscle model has all these mechanical properties. In this work, we present the viscoelastic-crossbridge active-titin (VEXAT) model that can replicate the response of muscle to length changes great and small. To evaluate the VEXAT model, we compare its response to biological muscle by simulating experiments that measure the impedance of muscle, and the forces developed during long active stretches. In addition, we have also compared the responses of the VEXAT model to a popular Hill-type muscle model. The VEXAT model more accurately captures the impedance of biological muscle and its responses to long active stretches than a Hill-type model and can still reproduce the force-velocity and force-length relations of muscle. While the comparison between the VEXAT model and biological muscle is favorable, there are some phenomena that can be improved: the low frequency phase response of the model, and a mechanism to support passive force enhancement.

Synergistically improved strength and electrical conductivity of Cu-3.3 wt%Ti alloy via coupling control of dislocation and multi-scale precipitates

Cu-Ti alloys exhibit outstanding mechanical properties and thermal stability at high temperatures, but suffer from low electrical conductivity (<15 % IACS), which severely limits their practical application. In this study, we successfully achieved large electrical conductivity of >20 % IACS, along with high strength of >1076 MPa in the Cu-3.3 wt%Ti alloy via coupling control of dislocation and multi-scale precipitates. It was revealed that compared with the traditional treatment methods, such as, aging, deformation + aging, or deformation + aging + deformation + aging, the novel method of pre-aging + cold rolling + aging, not only can greatly improve the uniform distribution level of dislocation formed during cold rolling, but can also significantly improve the formation of multi-scale precipitates and their coupling distribution with dislocations, which effectively enhance the electrical conductivity and strengthening contribution of precipitates and dislocation simultaneously. Our findings shed light on the understanding of related mechanisms in Cu-Ti alloys, certainly also provide a useful route for high strength and high conductivity of Cu alloys.

3D printed SiOC architecture towards terahertz electromagnetic interference shielding and absorption

Electromagnetic interference (EMI) shielding and absorption materials can effectively mitigate the undesired pollution or noise caused by terahertz (THz) waves. The development of THz EMI shielding materials that are primarily based on absorption mechanisms to avoid secondary pollution caused by reflection is still in big demand. Herein, an absorption-dominated precursor-derived SiOC ceramic (PDC-SiOC) architecture for THz wave EMI shielding and absorption was reported. The EMI shielding properties of the bulk SiOC ceramic were studied. More than 93 % of THz EM waves were absorbed by the synthesized SiOC ceramic from 1.2 to 1.6 THz. Furthermore, lightweight honeycomb-structured SiOC architecture which was inspired by the wings of moth was fabricated by vat photopolymerization 3D printing combined with following pyrolysis. The EMI shielding properties and mechanism of the honeycomb SiOC architecture in THz bands were also discussed. The highest shielding effectiveness (SE) of the honeycomb SiOC architecture was up to 64.1 dB, and the transmissivity was below 1.4 % from 0.2 to 1.6 THz. In addition, more than 97–99.8 % of THz waves were absorbed in 0.8–1.6 THz. The excellent EMI shielding performance of the architecture was mainly attributed to its outstanding THz EM wave absorption ability. Finally, the mechanical properties and thermal stability of the architecture were further studied. The compressive and flexural strength of honeycomb architecture was 1.2 and 16.5 MPa, respectively. The result also proved that the honeycomb SiOC architecture was resistant to high temperatures up to 1100 °C under inert atmosphere. This work provides promising high-efficiency architecture towards THz EMI shielding and absorption.

Exploring the Adaptability of 4D Printed Shape Memory Polymer Featuring Dynamic Covalent Bonds.

4D printing (4DP) of high-performance shape memory polymers (SMPs), particularly using digital light processing (DLP), has garnered intense global attention due to its capability for rapid and high-precision fabrication of complex configurations, meeting diverse application requirements. However, the development of high-performance dynamic shape memory polymers (DSMPs) for DLP printing remains a significant challenge due to the inherent incompatibilities between the photopolymerization process and the curing/polymerization of high-strength polymers. Here, a mechanically robust DSMP compatible is developed with DLP printing, which incorporates dynamic covalent bonds of imine linking polyimide rigid segments, exhibiting remarkable mechanical performance (tensile strength ≈41.7MPa, modulus ≈1.63GPa) and thermal stability (Tg ∼ 113°C, Td ∼ 208°C). More importantly, benefiting from the solid-state plasticity conferred by dynamic covalent bonds, 4D printed structures demonstrate rapid network adaptiveness, enabling effortless realization of reconfiguration, self-healing, and recycling. Meanwhile, the extensive π-π conjugated structures bestow DSMP with an intrinsic photothermal effect, allowing controllable morphing of the 4D configuration through dual-mode triggering. This work not only greatly enriches the application scope of high-performance personalized configurations but also provides a reliable approach to addressing environmental pollution and energy crises.

Patient-specific finite element analysis of four different fixation methods for transversely unstable radial head fractures

Plate fixation is a common treatment option for radial head fractures (RHFs). Due to the benefits of less invasiveness and fewer complications of internal fixation, the application of small-diameter headless compression screws (HCSs) to treat RHFs has become a new trend. This study aimed to compare the mechanical stability of four distinct internal fixation protocols for transversely unstable RHFs via finite element analysis. Using computed tomography data from 10 patients, we developed 40 patient-specific FE models of transversely unstable RHFs fixed by parallel, crossed, and tripod HCSs and mini-T plate (MTP). Under simulated physiological loading of the elbow joint, the construct stiffness, displacement, and von Mises stresses were evaluated and verified by a biomechanical experiment. Under shear loading, the MTP group exhibited lower construct stiffness, larger displacement, and higher Von Mises stress than the HCSs group. The stiffness of tripod HCSs was greater than parallel and crossed screw fixation techniques. There was a strong relationship between apparent bone density and construct stiffness (R = 0.98 to 0.99). In the treatment of transversely unstable RHFs, HCSs have superior biomechanical stability than MTP. The tripod technique was also more stable than parallel and crossed fixation.

Revealing the fatigue strengthening and damage mechanisms of surface-nanolaminated gradient structure

Extending the fatigue life of metals is a critical concern for maintaining material and component integrity in engineering systems. The integration of gradient structures within materials represents a highly promising approach to enhance the fatigue properties in metallic materials, while a detailed mechanistic understanding of the fatigue damage evolution of such structures is yet to be developed. Here, we report that the surface-nanolaminated gradient structure comprised of nanolaminates and hierarchical twins imparts remarkable resistance to both low-cycle and high-cycle fatigue. A dislocation-based strain gradient crystal plasticity model is developed to investigate the strengthening and damage mechanisms of our gradient structure. The size dependence of the initial dislocation density, its evolution and back stress hardening are taken into account and verified by the experimental data. The simulation results reveal that the strain delocalization and back stress hardening induced by the structure gradient significantly mitigate the fatigue damage accumulation. Additionally, in contrast to conventional gradient structures, the mechanical stability of the present structure enables these strengthening mechanisms to persist until crack initiation. These effects, combined with the sequential toughening mechanisms activated in the surface-nanolaminated gradient structure, ensure a marked life extension under low-cycle fatigue (by a factor of four), outperforming conventional gradient and other microstructural design strategies. Finally, a multiscale anti-fatigue design principal for damage homogenization is given based on the prior quantitative analysis.

Exploring the Physical Properties of Mn2VSi and Mn2VGe Heusler Alloys Under High Pressure Conditions: A Theoretical Investigation Using GGA and TB-mBJ Calculation

Abstract The investigation into Mn2VSi and Mn2VGe Heusler alloys has yielded crucial insights into their structural, mechanical, thermal, electronic, and magnetic attributes. Employing Density Functional Theory (DFT) with Generalized Gradient Approximation (GGA) and Tran Blaha modified Becke Johnson (TB-mBJ) method, these alloys were comprehensively analyzed. Structurally, both compounds exhibited stability in the regular Heusler structure, with precise lattice constants and pressure-volume variations. Elastic properties indicated mechanical stability and ductile behavior, with enhanced material strength under elevated pressure. Thermodynamic assessments revealed behavior under extreme conditions, while electronic properties showed half-metallic behavior and semiconducting characteristics. Magnetic moments decreased with pressure, signaling a magnetic transition state in alloys. This theoretical study provides valuable insights into Mn2VSi and Mn2VGe compounds, offering a potential applications in spintronics and magnetic sensors.

Sustainability inspired fabrication of next generation neurostimulation and cardiac rhythm management electrodes via reactive hierarchical surface restructuring

Over the last two decades, platinum group metals (PGMs) and their alloys have dominated as the materials of choice for electrodes in long-term implantable neurostimulation and cardiac rhythm management devices due to their superior conductivity, mechanical and chemical stability, biocompatibility, corrosion resistance, radiopacity, and electrochemical performance. Despite these benefits, PGM manufacturing processes are extremely costly, complex, and challenging with potential health hazards. Additionally, the volatility in PGM prices and their high supply risk, combined with their scarce concentration of approximately 0.01 ppm in the earth’s upper crust and limited mining geographical areas, underscores their classification as critical raw materials, thus, their effective recovery or substitution worldwide is of paramount importance. Since postmortem recovery from deceased patients and/or refining of PGMs that are used in the manufacturing of the electrodes and microelectrode arrays is extremely rare, challenging, and highly costly, therefore, substitution of PGM-based electrodes with other biocompatible materials that can yield electrochemical performance values equal or greater than PGMs is the only viable and sustainable solution to reduce and ultimately substitute the use of PGMs in long-term implantable neurostimulation and cardiac rhythm management devices. In this article, we demonstrate for the first time how the novel technique of “reactive hierarchical surface restructuring” can be utilized on titanium—that is widely used in many non-stimulation medical device and implant applications—to manufacture biocompatible, low-cost, sustainable, and high-performing neurostimulation and cardiac rhythm management electrodes. We have shown how the surface of titanium electrodes with extremely poor electrochemical performance undergoes compositional and topographical transformations that result in electrodes with outstanding electrochemical performance.

Tuning of optical, thermodynamic, and thermoelectric properties of Cs2CuBiX6 (X = Cl, Br, I) halide perovskites for solar cells and energy harvesting applications

The double perovskites are outstanding materials for solar cells and transport applications to clean harvest energy. Therefore, the Cs2CuBiX6 (X = Cl, Br, I) are discussed comprehensively for energy harvesting by modified Becke and Johnson (mBJ) potential. The studied DPs fit the structural, mechanical, and dynamic stability scale by tolerance factor, Born–Huang criteria, and phonon dispersion band structures. The band gaps (1.20, 1.0, 0.70) eV for (Cl, Br, I) based DPs ensure the Cs2CuBiCl6 has an absorption band in the visible region while Cs2CuBiBr6 and Cs2CuBiI6 has an absorption band in the infrared region. Heavy elements’ spin–orbit coupling effect (Cs, Bi) reduces the band gap to 0.08 eV. Thermoelectric behavior regarding the merit scale against dopant carriers and temperature has been elaborated. The ultralow lattice thermal conductivity, large Debye temperature, hardness, and melting temperature increase their implication for thermoelectric and other thermodynamic applications. The variation in band gap makes them important for diverse optoelectric and thermoelectric applications. The Cs2CuBiCl6 with a band gap of 1.20 eV is suitable for solar cells, while Cs2CuBiBr6 and Cs2CuBiI6 with band gaps of 1.0 eV and 0.70 eV are significant for thermoelectric generators.

Two-dimensional BC12 as an ultra-high performance anode material for lithium-ion batteries

With the gradual development of renewable energy, search for high-performance energy storage materials as anodes for lithium-ion batteries (LIBs) has become urgent. Two-dimensional (2D) materials are considered as candidates for anode materials due to their unique structure and physicochemical properties. Based on first-principles calculations, we propose a 2D material, BC12 monolayer, as an excellent anode for LIBs. BC12 exhibits outstanding dynamic, mechanical, and thermal stability. In addition, BC12 monolayers show not only remarkably high storage capacity (2767.57 mA h g−1) but also low diffusion barrier energy (0.175 eV) and appropriate open circuit voltage (0.3 V). A small volume expansion (0.38%) is also observed during the lithiation process. Furthermore, we undertake a comprehensive analysis on the impact of carbon vacancy in BC12. The presence of carbon vacancy makes the adsorption and diffusion of Li relatively weak, which should be carefully handled in the experimental synthesis process. The above-mentioned investigation offers valuable insights and guidance for the future development and application of 2D anode materials in metal-ion batteries.

Half‐Metallic Ferromagnetism in 2D Janus Monolayers: Mn2GeX (X = As, Sb)

Two‐dimensional (2D) Janus materials are a fascinating class of materials resulting from their unique electronic and magnetic properties induced by mirror symmetry breaking. However, 2D Janus materials with intrinsic magnetism remain rather rare, casting a mysterious veil over magnetism. In this work, the electronic and magnetic properties of Janus Mn2GeX (X = As, Sb) monolayers using the first‐principles calculations are investigated. The results demonstrate that these Janus materials exhibit excellent mechanical and dynamic stability, indicating their potential for future applications in nanoscale spintronic devices. Interestingly, the Janus and monolayers possess exciting half‐metallic character with wide half‐metallic gaps of 0.29 and 0.18 eV, and spin gaps of 1.68 and 1.62 eV, respectively. Their calculated ground state exhibits a strong preference for ferromagnetic ordering, with a Curie temperature () of 630 and 590 K, respectively. Additionally, the ferromagnetism of Janus Mn2GeX (X = As, Sb) monolayers is robust against biaxial strain ranging from −6% to 6%. Under 6% tensile strain, the calculated of the monolayer is 639 K, which represents a 9% increase compared to the observed in the unstrained condition. All these intriguing electronic and magnetic properties make the Janus Mn2GeX (X = As, Sb) monolayers an appealing candidate for applications in nanoscale spintronic devices.

Preparation and properties of double-layer phenolic/polyurethane coated isophorone diisocyanate self-healing microcapsules

Single-layer isophorone diisocyanate (IPDI) are one of the most popular self-healing microcapsules but suffers from low shell strength, poor heat resistance, stability and aging properties. In this paper, IPDI microcapsules were encapsulated into double-layer phenolic (PF)/polyurethane (PU) by a two-step process involving interfacial polymerization and in-situ polymerization. The prepared microcapsule composites were comprehensively characterized for their physical and chemical properties using optical microanalysis, scanning electron microscope, Fourier transform infrared spectroscopy, thermal gravimetric analysis and depth-sensing indentation analysis. Compared with the single-layer PU-IPDI microcapsule counterpart, the mechanical performance, thermal resistance, aging property and environmental stability of double-layer PF/PU-IPDI microcapsules were significantly improved. The epoxy coating was enhanced with the incorporation of 10 wt.% PF/PU-IPDI microcapsules, whose self-healing performance was evaluated by scratch corrosion test. The results demonstrated successful repair of coating scratches, along with the absence of corrosion on the coated steel substrate soaked in a 10 wt.% NaCl solution for 7 days. By comparing the tensile strength of epoxy coating before and after crack formation, it could be found that the self-healing efficiency was 57.9% when loaded with 10 wt.% of PF/PU-IPDI microcapsules in coating. This study highlights that the rational design of double-layer microcapsules integrated into the epoxy coating matrix could provide excellent anti-corrosion and self-healing properties.