A new appraisal method(QDA, quasi-distribution appraisal) which could be used to evaluate the finite element analysis of multi-functional structure made of honeycomb sandwich materials is developed based on sub-sect...A new appraisal method(QDA, quasi-distribution appraisal) which could be used to evaluate the finite element analysis of multi-functional structure made of honeycomb sandwich materials is developed based on sub-section Bezier curve. It is established by simulating the distribution histogram data obtained from the numerical finite element analysis values of a satellite component with sub-section Bezier curve. Being dealt with area normalization method, the simulation curve could be regarded as a kind of probability density function(PDF), its mathematical expectation and the variance could be used to evaluate the result of finite element analysis. Numerical experiments have indicated that the QDA method demonstrates the intrinsic characteristics of the finite element analysis of multi-functional structure made of honeycomb sandwich materials, as an appraisal method, it is effective and feasible.展开更多
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat...Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.展开更多
In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honey...In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.展开更多
Designing a highly active and stable bifunctional catalyst is essential for achieving superior overall water splitting(OWS).In this study,a three-dimensional(3D)core-shell structure Co3S4/CuS@NiFe LDH nanocoral ...Designing a highly active and stable bifunctional catalyst is essential for achieving superior overall water splitting(OWS).In this study,a three-dimensional(3D)core-shell structure Co3S4/CuS@NiFe LDH nanocoral spheres electrocatalyst was constructed on nickel foam(NF)via an interfacial engineering strategy.This 3D core-shell heterostructure maximizes the exposure of active sites,optimizes the charge transport pathway and accelerates gas release rates.The protective shell strategy of NiFe LDH provides favorable stability,which contributes to inhibiting the electrochemical corrosion of the electrocatalyst and mitigating the toxic effects of Cl- and other microorganisms during the seawater splitting process.Moreover,the introduction of NiFe LDH induces a change in the OER mechanism from an adsorption evolution mechanism(AEM)to a lattice oxygen mechanism(LOM),which improves the intrinsic activity of the catalyst.Consequently,Co3S4/CuS@NiFe LDH demonstrates exceptional performance in the oxygen evolution reaction(OER)(η100=251 mV)and in the hydrogen evolution reaction(HER)(η100=254 mV),alongside remarkable stability over 100 h.For OWS,it exhibits a voltage of 1.46 V at 10 mA/cm2 and maintain stability for 100 h.Impressively,Co3S4/CuS@NiFe LDH still possesses outstanding activity and stability in natural alkaline seawater.This work proposes interfacial engineering to construct bifunctional catalysts with core-shell heterostructures,providing instructive guidelines for the design of highly efficient electrocatalysts toward seawater electrolysis.展开更多
Tree plantations are globally significant,and therefore,growth-related challenges cannot be ignored.Canopy structure and light environment influence the growth of plantations,but the precise relationship remains uncle...Tree plantations are globally significant,and therefore,growth-related challenges cannot be ignored.Canopy structure and light environment influence the growth of plantations,but the precise relationship remains unclear.We selected seven-year-old poplar plantations of varying cultivars planted various densities and measured their growth,canopy structure,and light environment.The findings indicate that poplar plantations of different cultivars and at different planting densities showed variations in leaf area index(LAI),average leaf angle(ALA),crown length(CL),length ratio(CLR),roundness(CR)and surface area(CSA),which directly or indirectly affect growth,resulting in disparities in their growing conditions.Crown roundness directly impacted growth,while LAI,CLR and ALA influenced growth indirectly by affecting intercellular carbon dioxide concentration.LAI and CLR had a positive effect;ALA had a negative one.Crown length and surface area directly and indirectly influenced growth by affecting photo synthetically active radiation and net photo synthetic rate,with direct impacts being more pronounced.This research has clarified the regulatory role of canopy structure in plantations growth,providing valuable insights for developing more effective management strategies.展开更多
Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled t...Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.展开更多
Ceramic materials demonstrate great application potential in multiple fields such as aerospace and biomedical engineering due to their excellent mechanical properties,high-temperature resistance,and good biocompatibil...Ceramic materials demonstrate great application potential in multiple fields such as aerospace and biomedical engineering due to their excellent mechanical properties,high-temperature resistance,and good biocompatibility,but their inherent brittleness and processing defects urgently need to be broken through.Inspired by the biological structures found in nature,the integration of biomimicry and additive manufacturing(AM)technologies offers a new pathway for the innovative design of high-performance ceramic materials.This article systematically reviews the fundamental principles and classifications of ceramic AM technology,focusing on six typical elements of biomimetic structural design:coaxial composite structures,surface reinforcement structures,layered composite structures,porous structures,composite multicomponent structures,and intelligent bionic structures.The review delves into their biomimetic principles,preparation strategies,performance advantages,and research progress.Research indicates that through multiscale topological design and functional integration,these structures can significantly enhance the mechanical properties and environmental adaptability of ceramics.Nevertheless,current technologies still face numerous challenges in balancing manufacturing precision and efficiency,controlling cracks and residual stresses caused by interface defects,ensuring long-term material stability under extreme environments,enhancing intelligent response capabilities,and guaranteeing process scalability and performance consistency in clinical applications.Future research should integrate multidisciplinary approaches to optimize structural design and dynamic response,transforming biomimetic ceramic materials from‘biological replication'to‘performance exceeding',thereby providing theoretical and technical support for the customized development of high-performance ceramic devices.展开更多
As a multidisciplinary phenomenon,panel aeroelasticity in shock-dominated flow is featured by two primary interactions:Fluid-Structure Interactions(FSIs)and Shock-Boundary Layer Interactions(SBLIs).The former raises s...As a multidisciplinary phenomenon,panel aeroelasticity in shock-dominated flow is featured by two primary interactions:Fluid-Structure Interactions(FSIs)and Shock-Boundary Layer Interactions(SBLIs).The former raises structural concerns,and the latter is of aerodynamic interest.Thus,panel aeroelasticity in shock-dominated flow represents a vital topic for the development and optimization of supersonic vehicles and propulsion systems.This review systematically summarizes recent advances in the methodologies applied to capture structural and fluid dynamics,including theoretical models,numerical simulations,and wind tunnel experiments.The application of data-driven modal decomposition,an advanced technique to extract physically crucial features,on the topic is introduced.From the perspective of FSIs,the distinctive aeroelastic behaviors in shock-dominated flow,including hysteresis phenomena and nonlinear responses,are highlighted.From the perspective of SBLIs,the modifications in their spatial and temporal characteristics imposed by the aeroelastic responses are emphasized.Motivated by the interaction between the shock waves and structural response,different strategies have been proposed to implement aeroelastic suppression and shock control,which have the potential to enhance structural safety and aerodynamic performance in the next generation of high-speed flight vehicles.展开更多
Voronoi structures are widely present in nature,and highly ordered Voronoi structures such as honeycomb structures have gained extensive recognition and in-depth research in the field of sound absorption structure des...Voronoi structures are widely present in nature,and highly ordered Voronoi structures such as honeycomb structures have gained extensive recognition and in-depth research in the field of sound absorption structure design.However,Voronoi structures in biological tissues are not all highly ordered.Stochastic Voronoi structures are equally prevalent and exhibit excellent multifunctional properties.To further explore the acoustic value of stochastic Voronoi structures,this study proposes a Voronoi sound absorbing porous structure that features both structural stochasticity and performance robustness.First,a theoretical calculation model is established based on microperforated panel theory and Helmholtz resonance theory,enabling the rapid calculation of the structure’s sound absorption coefficient.Then,a systematic analysis is conducted on the effective conditions for absorption performance robustness from four dimensions:unit number,structural randomness,manufacturing errors,and boundary cutting.Results indicate that there exists a unit number threshold associated with absorption bandwidth in the Voronoi structure.When this threshold is exceeded,the structure can exhibit favorable sound absorption robustness against structural stochasticity,manufacturing errors,and boundary cutting.Experimental verification shows that under significant boundary changes,the structure still maintains an average sound absorption coefficient of approximately 0.8 within an absorption bandwidth of approximately 400 Hz.Its favorable low-frequency broadband sound absorption performance and robustness endow it with promising application prospects in engineering fields where cost control,environmental adaptability,and construction efficiency need to be balanced.展开更多
Low-frequency signals play a crucial role in seismic inversion of thin-layer structure and reservoir prediction.However,during seismic exploration,the low-frequency signals are often contaminated,distorted,or even mis...Low-frequency signals play a crucial role in seismic inversion of thin-layer structure and reservoir prediction.However,during seismic exploration,the low-frequency signals are often contaminated,distorted,or even missing due to acquisition limitations,processing artifacts,and ambient noise.Although compressive sensing theory-based sparse inversion can partially recover low-frequency signals,the reconstruction results suffer from significant non-uniqueness.To address this challenge,we propose a sparse inversion approach incorporating spatial structural regularization to enhance low-frequency signal recovery.Due to the interference among seismic waveforms,spatial reflection structure exhibits frequency dependency.Consequently,the spatial structure estimated directly from seismic data differs significantly from the actual low-frequency spatial structure.Therefore,the proposed method estimates spatial reflection structure from seismic data in the neighboring frequency band of the low-frequency signals to be recovered,aiming to reduce the impact of frequency dependency on estimation accuracy.Subsequently,both the sparse structure of reflection coefcients and spatial structure of low-frequency signals are incorporated as regularization terms into the inversion framework,enabling geologically guided recovery of low-frequency components.The proposed method was successfully applied in the Tarim Oileld,eectively restoring low-frequency signals and providing reliable foundational seismic data for reservoir prediction.展开更多
Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structu...Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structural rigidity and flexibility,ensuring material integrity during large deformations,and providing adequate load-bearing capacity and stability once deployed.Most research has focused on optimizing cutout size and shape,while topology optimization offers a broader design space.However,the anisotropic properties of woven composite laminates,complex failure criteria,and multi-performance optimization needs have limited the exploration of topology optimization in this field.This work derives the sensitivities of bending stiffness,critical buckling load,and the failure index of woven composite materials with respect to element density,and formulates both single-objective and multi-objective topology optimization models using a linear weighted aggregation approach.The developed method was integrated with the commercial finite element software ABAQUS via a Python script,allowing efficient application to cutout design in various DCTWS configurations to maximize bending stiffness and critical buckling load under material failure constraints.Optimization of a classical tubular hinge resulted in improvements of 107.7%in bending stiffness and 420.5%in critical buckling load compared to level-set topology optimization results reported in the literature,validating the effectiveness of the approach.To facilitate future research and encourage the broader adoption of topology optimization techniques in DCTWS design,the source code for this work is made publicly available via a Git Hub link:http://gffzz188fe103f8f1460asxkfq6kq0xppo6bbp.ffgz.tsg.suse.edu.cn/jinhao-ok1/Topo-for-DCTWS.git.展开更多
Insufficient skeletal repair is the primary threat of health span and lifespan in elders with increasingly vast global burden;yet,to date,the knowledge of resolving this crisis remains limited.In this study,we address...Insufficient skeletal repair is the primary threat of health span and lifespan in elders with increasingly vast global burden;yet,to date,the knowledge of resolving this crisis remains limited.In this study,we addressed the specific mechanisms underlying agingassociated poor bone repair,which are driven by the mitochondrial DNA structures mitochondrial G-quadruplex(mtG4).We found that mtG4 is spatiotemporal-wisely accumulated within Pdgfra+periosteal mesenchymal stromal/stem cells(PPM)both in healthy and premature aging,which substantially increases cellular senescence and the degenerative alterations of PPM.By utilizing transgenic lineage tracking,PPM organoids formation,mitochondrial transgenic mutation,organoids transplantation,and serial cellular molecular investigations,we reveal that mtG4 in PPM restricts vital mitochondrial genes’transcription to cause mitochondrial dysfunction,which utterly leads to severe mitophagy and cell senescence.These senescent PPM demonstrates impaired stemness and disrupted fate determination,finally phenocopying aging-associated poor bone repair.This study decodes the mitochondrial genomic reasons for insufficient bone repair during aging,which offers insights for developing cell-type-and disease-specific senolytic therapies in the future.展开更多
Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-ins...Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.展开更多
Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-e...Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection.展开更多
SmCo7-xMx(M=Cu,Zr,Hf,Si,Ga)intermetallic compounds,with distinctive disordered crystal structure and excellent magnetic performance,are of great importance for application as high-temperature rare-earth permanen...SmCo7-xMx(M=Cu,Zr,Hf,Si,Ga)intermetallic compounds,with distinctive disordered crystal structure and excellent magnetic performance,are of great importance for application as high-temperature rare-earth permanent magnets.In this study,the relationship between the valence electronic structure,structural stability and magnetic and thermal properties of Sm(Co,M)7intermetallic compounds is revealed by using an empirical electron theory of solids and molecules.The structural stability is strongly related to the valence electronic structure that is modulated by doping the third element M into SmCo7.The calculated bond lengths,magnetic moments and Curie temperatures show good agreement with experimental ones.The magnetic moment and Curie temperature strongly depend on the number of 3d magnetic electrons,and can be modulated by mutual electron transformation between 3d magnetic electron and covalence electron.展开更多
The three-dimensional resistivity model of the lithosphere and fluid content plays a significant role in analyzing the spatiotemporal distribution and dynamic reasons for the North China Craton(NCC)destruction.The con...The three-dimensional resistivity model of the lithosphere and fluid content plays a significant role in analyzing the spatiotemporal distribution and dynamic reasons for the North China Craton(NCC)destruction.The conductivity is related to temperature and melt fraction using laboratory experiments.The Hashin-Shtrikman(HS)bounds are used to constrain the conductivity range of rocks in the solid and solid-melt systems.The authors established the lithospheric conductivity-temperature relationship by combining the mineral composition obtained from the analysis of xenoliths,the steady-state heat conduction equation,water,and carbon dioxide.To discuss the destruction of the NCC,the three-dimensional resistivity structure model obtained from the magnetotelluric sounding(MT)array inversion of the NCC is compared with the model calculated using the HS bounds.The research results show that the higher the volatile water and carbon dioxide content in the fluid,the lower the mantle solidus.Based on the melt fractions of the Ordos Block,Trans-North China Orogen,and Bohai Bay Basin,the speculated lithosphere-asthenosphere boundary(LAB)exhibits the characteristics of deep in the west and shallow in the east.The partial melting of the Bohai Bay Basin began at a shallower depth than other places,with a more significant difference in fluid content in the depth.展开更多
Two complexes[Cd(L)(CH3O)(CH3COO)]·CH3OH·(CH3)2NH(C1)and[Mn(L)Cl2(CH3OH)](C2)were synthesized by reacting a new imidazole-bearing ligand 4-(1H-imidazol-1-yl)-N'-(pyridin-2-ylmethylen...Two complexes[Cd(L)(CH3O)(CH3COO)]·CH3OH·(CH3)2NH(C1)and[Mn(L)Cl2(CH3OH)](C2)were synthesized by reacting a new imidazole-bearing ligand 4-(1H-imidazol-1-yl)-N'-(pyridin-2-ylmethylene)benzohydrazide(L)with cadmium and manganese salts,respectively.The ligand was characterized by 1H NMR and 13C NMR spectroscopy,while the complexes were analyzed by single-crystal X-ray diffraction,powder X-ray diffraction,thermogravimetric analyses,and UV-Vis spectroscopy.Complex C1 features a 1D zigzag chain structure formed by alternating connections of one ligand and one metal ion.In contrast,complex C2 exhibits a mononuclear molecular structure,where each unit consists of one ligand connected to one manganese ion.Both complexes further form a 3D structure through π-π interactions and intermolecular hydrogen bonds.Cell proliferation assays conducted on four tumor cell lines and one normal cell line revealed that both C1 and C2 exhibited significantly stronger inhibition of tumor cell growth compared to the ligand L.Notably,C1 demonstrated superior anti-proliferative activity against A549 and A2780 cells relative to cisplatin,while showing comparable cytotoxicity toward SMMC-7721 cells.Further mechanistic studies indicated that C1 induces apoptosis in both SMMC-7721 and A549 tumor cells,suppresses the invasion and migration of SMMC-7721 cells,and arrests the cell cycle at the G0/G1 phase.展开更多
Energy above the convex hull(Ehull)is a key thermodynamic criterion for assessing phase stability.However,the enormous computational cost required for phase diagram construction hinders the prediction of Ehull,undersc...Energy above the convex hull(Ehull)is a key thermodynamic criterion for assessing phase stability.However,the enormous computational cost required for phase diagram construction hinders the prediction of Ehull,underscoring the need for data-driven approaches.Here,a hybrid framework integrating an autoencoder with a random forest classifier was proposed to effectively categorize crystal structures into stable,metastable,and unstable regimes according to Ehull thresholds,achieving an overall accuracy above 84%.More importantly,physically interpretable latent features associated with density,symmetry,and lattice were identified for stability prediction.Application to high-entropy oxides(HEOs)further demonstrates the effectiveness of the framework,revealing that structures with high configurational entropies and low cation radius mismatch are overwhelmingly classified as stable or metastable.Beyond confirming the dominant role of density and lattice features in stability prediction,SHAP analysis further suggests that larger disparities in atomic thermal conductivities and the regulation of the magnetic moment by limited magnetic atoms play a critical role in governing the stability of HEO structures.The interpretable and effective AE-RF algorithm developed in this work holds great potential for accelerating the discovery of novel HEOs and multicomponent materials.展开更多
Highly efficient low-Pt loading electrocatalysts towards oxygen reduction reaction(ORR)is urgent for advanced membrane electrode assemblies(MEA),directly determining the deployment of low-temperature fuel cells.For OR...Highly efficient low-Pt loading electrocatalysts towards oxygen reduction reaction(ORR)is urgent for advanced membrane electrode assemblies(MEA),directly determining the deployment of low-temperature fuel cells.For ORR,only exposed Pt atoms catalyze molecular oxygen reduction into water,signifying that interior Pt atoms are theoretically replaced by cheaper metals.Core-shell structure is well-known as an ideal model to solve this challenge where Pt atoms mainly locate at the(near-)surface region.Additionally,interior core presents a promising promoter role towards d-band center of Pt shell by short-range ligand effect and long-range strain effect,both which is affected by their large difference in electronegativity and lattice mismatch,respectively.Therefore,the adsorption energy of oxygenated species on Pt shell surface is theoretically optimized by well-designed core structure.In this review,the development of low Pt loading core-shell electrocatalysts is systematically summarized.The effect of composition,shape,element distribution and anisotropy on performance and corresponding enhancement mechanism is also discussed in depth.This review provides an encouraging guideline to fabricate high-performance low-Pt loading core-shell electrocatalysts.展开更多
The photocatalytic conversion of nitrate(NO3-)into ammonia(NH4+)under mild conditions offers a promising approach for mitigating environmental nitrate contamination.The efficiency of this process is fundam...The photocatalytic conversion of nitrate(NO3-)into ammonia(NH4+)under mild conditions offers a promising approach for mitigating environmental nitrate contamination.The efficiency of this process is fundamentally governed by the adsorption and activation of NO3-and its intermediates,which are significantly influenced by the surface electronic properties of the catalyst,particularly the position of the d-band center.However,conventional approaches to tune the surface electronic structure such as doping with extraneous elements or forming heterojunctions often alter the overall band structure seriously,typically leading to reduced photocatalytic activity.In this study,the d-band state of(CuGa)xZn1-2xGa2S4semiconductor is engineered through Al3+surface decoration without affecting the conduction band or the bandgap to enhance NO3-adsorption and activation.X-ray photoelectron spectroscopy and X-ray absorption fine structure analyses reveal that the surface doping of Al3+do not induce obviously energy band structure change but the d-band center,which shift more closer to Fermi level in comparison with pristine material.Electronic energy band analyses indicate that Al3+decoration does not significantly alter the conduction band or bandgap.Moreover,the Al3+-modified material demonstrates a substantial improvement in photocatalytic conversion of NO3-into NH4+,increasing the NH4+production rate from 0.18 to 0.93 mmol h-1g-1.Density functional theory calculations further revealed that the d-band center of Al3+/(CuGa)xZn1-2xGa2S4shifted closer to the Fermi level,moving from -4.75 to -4.54 eV compared to the pristine(CuGa)xZn1-2xGa2S4.This shift lowered the Gibbs free energy for the adsorption of NO3-reduction intermediates,thereby enhancing the conversion efficiency of NO3-into NH4+.This work introduces an effective strategy for surface d-band states modulation without altering the intrinsic band structure to improve nitrate reduction performance,offering deep insights into the future design of materials for environmental remediation applications.展开更多
基金Funded by the National Natural Science Foundation of China(No.61471024)National Marine Technology Program for Public Welfare,China(No.201505002-1)
摘要A new appraisal method(QDA, quasi-distribution appraisal) which could be used to evaluate the finite element analysis of multi-functional structure made of honeycomb sandwich materials is developed based on sub-section Bezier curve. It is established by simulating the distribution histogram data obtained from the numerical finite element analysis values of a satellite component with sub-section Bezier curve. Being dealt with area normalization method, the simulation curve could be regarded as a kind of probability density function(PDF), its mathematical expectation and the variance could be used to evaluate the result of finite element analysis. Numerical experiments have indicated that the QDA method demonstrates the intrinsic characteristics of the finite element analysis of multi-functional structure made of honeycomb sandwich materials, as an appraisal method, it is effective and feasible.
基金supported by the National Natural Science Foundation of China(Grant Nos.12432005 and 12472116)the Fundamental Research Funds for the Central Universities(DUTZD25240).
摘要Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.
基金the financial supports from National Key R&D Program for Young Scientists of China(Grant No.2022YFC3080900)National Natural Science Foundation of China(Grant No.52374181)+1 种基金BIT Research and Innovation Promoting Project(Grant No.2024YCXZ017)supported by Science and Technology Innovation Program of Beijing institute of technology under Grant No.2022CX01025。
摘要In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.
基金supported by the National Natural Science Foundation of China(No.52274304).
摘要Designing a highly active and stable bifunctional catalyst is essential for achieving superior overall water splitting(OWS).In this study,a three-dimensional(3D)core-shell structure Co3S4/CuS@NiFe LDH nanocoral spheres electrocatalyst was constructed on nickel foam(NF)via an interfacial engineering strategy.This 3D core-shell heterostructure maximizes the exposure of active sites,optimizes the charge transport pathway and accelerates gas release rates.The protective shell strategy of NiFe LDH provides favorable stability,which contributes to inhibiting the electrochemical corrosion of the electrocatalyst and mitigating the toxic effects of Cl- and other microorganisms during the seawater splitting process.Moreover,the introduction of NiFe LDH induces a change in the OER mechanism from an adsorption evolution mechanism(AEM)to a lattice oxygen mechanism(LOM),which improves the intrinsic activity of the catalyst.Consequently,Co3S4/CuS@NiFe LDH demonstrates exceptional performance in the oxygen evolution reaction(OER)(η100=251 mV)and in the hydrogen evolution reaction(HER)(η100=254 mV),alongside remarkable stability over 100 h.For OWS,it exhibits a voltage of 1.46 V at 10 mA/cm2 and maintain stability for 100 h.Impressively,Co3S4/CuS@NiFe LDH still possesses outstanding activity and stability in natural alkaline seawater.This work proposes interfacial engineering to construct bifunctional catalysts with core-shell heterostructures,providing instructive guidelines for the design of highly efficient electrocatalysts toward seawater electrolysis.
基金supported by the National Key Research and Development Program of China(Grant No.2021YFD2201203)the financial support of the National Natural Science Foundation of China(32001311)。
摘要Tree plantations are globally significant,and therefore,growth-related challenges cannot be ignored.Canopy structure and light environment influence the growth of plantations,but the precise relationship remains unclear.We selected seven-year-old poplar plantations of varying cultivars planted various densities and measured their growth,canopy structure,and light environment.The findings indicate that poplar plantations of different cultivars and at different planting densities showed variations in leaf area index(LAI),average leaf angle(ALA),crown length(CL),length ratio(CLR),roundness(CR)and surface area(CSA),which directly or indirectly affect growth,resulting in disparities in their growing conditions.Crown roundness directly impacted growth,while LAI,CLR and ALA influenced growth indirectly by affecting intercellular carbon dioxide concentration.LAI and CLR had a positive effect;ALA had a negative one.Crown length and surface area directly and indirectly influenced growth by affecting photo synthetically active radiation and net photo synthetic rate,with direct impacts being more pronounced.This research has clarified the regulatory role of canopy structure in plantations growth,providing valuable insights for developing more effective management strategies.
基金supported by the Research Project on Strengthening the Construction of an Important Ecological Security Barrier in Northern China by Higher Education Institutions in the Inner Mongolia Autonomous Region(STAQZX202313)the Inner Mongolia Autonomous Region Education Science‘14th Five-Year Plan’2024 Annual Research Project(NGJGH2024635).
摘要Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.
基金supported by the National Natural Science Foundation of China(Grant No.52235006 and 52025053)the Jilin Provincial Scientific and Technological Development Program(20220204119YY).
摘要Ceramic materials demonstrate great application potential in multiple fields such as aerospace and biomedical engineering due to their excellent mechanical properties,high-temperature resistance,and good biocompatibility,but their inherent brittleness and processing defects urgently need to be broken through.Inspired by the biological structures found in nature,the integration of biomimicry and additive manufacturing(AM)technologies offers a new pathway for the innovative design of high-performance ceramic materials.This article systematically reviews the fundamental principles and classifications of ceramic AM technology,focusing on six typical elements of biomimetic structural design:coaxial composite structures,surface reinforcement structures,layered composite structures,porous structures,composite multicomponent structures,and intelligent bionic structures.The review delves into their biomimetic principles,preparation strategies,performance advantages,and research progress.Research indicates that through multiscale topological design and functional integration,these structures can significantly enhance the mechanical properties and environmental adaptability of ceramics.Nevertheless,current technologies still face numerous challenges in balancing manufacturing precision and efficiency,controlling cracks and residual stresses caused by interface defects,ensuring long-term material stability under extreme environments,enhancing intelligent response capabilities,and guaranteeing process scalability and performance consistency in clinical applications.Future research should integrate multidisciplinary approaches to optimize structural design and dynamic response,transforming biomimetic ceramic materials from‘biological replication'to‘performance exceeding',thereby providing theoretical and technical support for the customized development of high-performance ceramic devices.
基金supported by the National Natural Science Foundation of China(No.12372233)the Innovation Foundation for Doctor Dissertation of Northwestern Polytechnical University,China(No.25GH01020005)the“111 Project”of China(No.B17037)。
摘要As a multidisciplinary phenomenon,panel aeroelasticity in shock-dominated flow is featured by two primary interactions:Fluid-Structure Interactions(FSIs)and Shock-Boundary Layer Interactions(SBLIs).The former raises structural concerns,and the latter is of aerodynamic interest.Thus,panel aeroelasticity in shock-dominated flow represents a vital topic for the development and optimization of supersonic vehicles and propulsion systems.This review systematically summarizes recent advances in the methodologies applied to capture structural and fluid dynamics,including theoretical models,numerical simulations,and wind tunnel experiments.The application of data-driven modal decomposition,an advanced technique to extract physically crucial features,on the topic is introduced.From the perspective of FSIs,the distinctive aeroelastic behaviors in shock-dominated flow,including hysteresis phenomena and nonlinear responses,are highlighted.From the perspective of SBLIs,the modifications in their spatial and temporal characteristics imposed by the aeroelastic responses are emphasized.Motivated by the interaction between the shock waves and structural response,different strategies have been proposed to implement aeroelastic suppression and shock control,which have the potential to enhance structural safety and aerodynamic performance in the next generation of high-speed flight vehicles.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.12072058 and U2341232).
摘要Voronoi structures are widely present in nature,and highly ordered Voronoi structures such as honeycomb structures have gained extensive recognition and in-depth research in the field of sound absorption structure design.However,Voronoi structures in biological tissues are not all highly ordered.Stochastic Voronoi structures are equally prevalent and exhibit excellent multifunctional properties.To further explore the acoustic value of stochastic Voronoi structures,this study proposes a Voronoi sound absorbing porous structure that features both structural stochasticity and performance robustness.First,a theoretical calculation model is established based on microperforated panel theory and Helmholtz resonance theory,enabling the rapid calculation of the structure’s sound absorption coefficient.Then,a systematic analysis is conducted on the effective conditions for absorption performance robustness from four dimensions:unit number,structural randomness,manufacturing errors,and boundary cutting.Results indicate that there exists a unit number threshold associated with absorption bandwidth in the Voronoi structure.When this threshold is exceeded,the structure can exhibit favorable sound absorption robustness against structural stochasticity,manufacturing errors,and boundary cutting.Experimental verification shows that under significant boundary changes,the structure still maintains an average sound absorption coefficient of approximately 0.8 within an absorption bandwidth of approximately 400 Hz.Its favorable low-frequency broadband sound absorption performance and robustness endow it with promising application prospects in engineering fields where cost control,environmental adaptability,and construction efficiency need to be balanced.
基金supported by the National Natural Science Foundation of China(Grant Number:42574160)the Open Fund(Grant Number:36750000-24-FW0399-0011)of SINOPEC Key Laboratory of Geophysics.
摘要Low-frequency signals play a crucial role in seismic inversion of thin-layer structure and reservoir prediction.However,during seismic exploration,the low-frequency signals are often contaminated,distorted,or even missing due to acquisition limitations,processing artifacts,and ambient noise.Although compressive sensing theory-based sparse inversion can partially recover low-frequency signals,the reconstruction results suffer from significant non-uniqueness.To address this challenge,we propose a sparse inversion approach incorporating spatial structural regularization to enhance low-frequency signal recovery.Due to the interference among seismic waveforms,spatial reflection structure exhibits frequency dependency.Consequently,the spatial structure estimated directly from seismic data differs significantly from the actual low-frequency spatial structure.Therefore,the proposed method estimates spatial reflection structure from seismic data in the neighboring frequency band of the low-frequency signals to be recovered,aiming to reduce the impact of frequency dependency on estimation accuracy.Subsequently,both the sparse structure of reflection coefcients and spatial structure of low-frequency signals are incorporated as regularization terms into the inversion framework,enabling geologically guided recovery of low-frequency components.The proposed method was successfully applied in the Tarim Oileld,eectively restoring low-frequency signals and providing reliable foundational seismic data for reservoir prediction.
基金supported by the National Natural Science Foundation of China(No.12202295)the International(Regional)Cooperation and Exchange Projects of the National Natural Science Foundation of China(No.W2421002)+2 种基金the Sichuan Science and Technology Program(No.2025ZNSFSC0845)Zhejiang Provincial Natural Science Foundation of China(No.ZCLZ24A0201)the Fundamental Research Funds for the Provincial Universities of Zhejiang(No.GK249909299001-004)。
摘要Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structural rigidity and flexibility,ensuring material integrity during large deformations,and providing adequate load-bearing capacity and stability once deployed.Most research has focused on optimizing cutout size and shape,while topology optimization offers a broader design space.However,the anisotropic properties of woven composite laminates,complex failure criteria,and multi-performance optimization needs have limited the exploration of topology optimization in this field.This work derives the sensitivities of bending stiffness,critical buckling load,and the failure index of woven composite materials with respect to element density,and formulates both single-objective and multi-objective topology optimization models using a linear weighted aggregation approach.The developed method was integrated with the commercial finite element software ABAQUS via a Python script,allowing efficient application to cutout design in various DCTWS configurations to maximize bending stiffness and critical buckling load under material failure constraints.Optimization of a classical tubular hinge resulted in improvements of 107.7%in bending stiffness and 420.5%in critical buckling load compared to level-set topology optimization results reported in the literature,validating the effectiveness of the approach.To facilitate future research and encourage the broader adoption of topology optimization techniques in DCTWS design,the source code for this work is made publicly available via a Git Hub link:http://gffzz188fe103f8f1460asxkfq6kq0xppo6bbp.ffgz.tsg.suse.edu.cn/jinhao-ok1/Topo-for-DCTWS.git.
基金supported by National Natural Science Foundation of China 82522021(F.Y.),82571084(F.L.),and 824B2023(C.H.)Sichuan Province Science and Technology Program 2024ZYD0172(F.Y.),2025ZNSFSC0754(F.L.),2025NSFJQ0071(F.Y.),and 2024JDKXJ0001(L.Y.).
摘要Insufficient skeletal repair is the primary threat of health span and lifespan in elders with increasingly vast global burden;yet,to date,the knowledge of resolving this crisis remains limited.In this study,we addressed the specific mechanisms underlying agingassociated poor bone repair,which are driven by the mitochondrial DNA structures mitochondrial G-quadruplex(mtG4).We found that mtG4 is spatiotemporal-wisely accumulated within Pdgfra+periosteal mesenchymal stromal/stem cells(PPM)both in healthy and premature aging,which substantially increases cellular senescence and the degenerative alterations of PPM.By utilizing transgenic lineage tracking,PPM organoids formation,mitochondrial transgenic mutation,organoids transplantation,and serial cellular molecular investigations,we reveal that mtG4 in PPM restricts vital mitochondrial genes’transcription to cause mitochondrial dysfunction,which utterly leads to severe mitophagy and cell senescence.These senescent PPM demonstrates impaired stemness and disrupted fate determination,finally phenocopying aging-associated poor bone repair.This study decodes the mitochondrial genomic reasons for insufficient bone repair during aging,which offers insights for developing cell-type-and disease-specific senolytic therapies in the future.
基金supported by the Khalifa University of Science and Technology internal grants(Nos.2021-CIRA-109,2020-CIRA-007,and 2020-CIRA-024).
摘要Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.
基金supported by the National Key R&D Program of China(Grant No.2019YFC1509703)the Tianjin Science and Technology Program Project(Grant No.23YFYSHZ00130)。
摘要Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection.
摘要SmCo7-xMx(M=Cu,Zr,Hf,Si,Ga)intermetallic compounds,with distinctive disordered crystal structure and excellent magnetic performance,are of great importance for application as high-temperature rare-earth permanent magnets.In this study,the relationship between the valence electronic structure,structural stability and magnetic and thermal properties of Sm(Co,M)7intermetallic compounds is revealed by using an empirical electron theory of solids and molecules.The structural stability is strongly related to the valence electronic structure that is modulated by doping the third element M into SmCo7.The calculated bond lengths,magnetic moments and Curie temperatures show good agreement with experimental ones.The magnetic moment and Curie temperature strongly depend on the number of 3d magnetic electrons,and can be modulated by mutual electron transformation between 3d magnetic electron and covalence electron.
基金supported by the National Key R&D Plan(2022YFF0800702)project SINOPROBE on subproject SINOPROBE-01the Science and Technology Project of Inner Mongolia(2023QN04007).
摘要The three-dimensional resistivity model of the lithosphere and fluid content plays a significant role in analyzing the spatiotemporal distribution and dynamic reasons for the North China Craton(NCC)destruction.The conductivity is related to temperature and melt fraction using laboratory experiments.The Hashin-Shtrikman(HS)bounds are used to constrain the conductivity range of rocks in the solid and solid-melt systems.The authors established the lithospheric conductivity-temperature relationship by combining the mineral composition obtained from the analysis of xenoliths,the steady-state heat conduction equation,water,and carbon dioxide.To discuss the destruction of the NCC,the three-dimensional resistivity structure model obtained from the magnetotelluric sounding(MT)array inversion of the NCC is compared with the model calculated using the HS bounds.The research results show that the higher the volatile water and carbon dioxide content in the fluid,the lower the mantle solidus.Based on the melt fractions of the Ordos Block,Trans-North China Orogen,and Bohai Bay Basin,the speculated lithosphere-asthenosphere boundary(LAB)exhibits the characteristics of deep in the west and shallow in the east.The partial melting of the Bohai Bay Basin began at a shallower depth than other places,with a more significant difference in fluid content in the depth.
摘要Two complexes[Cd(L)(CH3O)(CH3COO)]·CH3OH·(CH3)2NH(C1)and[Mn(L)Cl2(CH3OH)](C2)were synthesized by reacting a new imidazole-bearing ligand 4-(1H-imidazol-1-yl)-N'-(pyridin-2-ylmethylene)benzohydrazide(L)with cadmium and manganese salts,respectively.The ligand was characterized by 1H NMR and 13C NMR spectroscopy,while the complexes were analyzed by single-crystal X-ray diffraction,powder X-ray diffraction,thermogravimetric analyses,and UV-Vis spectroscopy.Complex C1 features a 1D zigzag chain structure formed by alternating connections of one ligand and one metal ion.In contrast,complex C2 exhibits a mononuclear molecular structure,where each unit consists of one ligand connected to one manganese ion.Both complexes further form a 3D structure through π-π interactions and intermolecular hydrogen bonds.Cell proliferation assays conducted on four tumor cell lines and one normal cell line revealed that both C1 and C2 exhibited significantly stronger inhibition of tumor cell growth compared to the ligand L.Notably,C1 demonstrated superior anti-proliferative activity against A549 and A2780 cells relative to cisplatin,while showing comparable cytotoxicity toward SMMC-7721 cells.Further mechanistic studies indicated that C1 induces apoptosis in both SMMC-7721 and A549 tumor cells,suppresses the invasion and migration of SMMC-7721 cells,and arrests the cell cycle at the G0/G1 phase.
基金supported by the National Key Research and Development Program of China(Grant No.2026YFE0199500)the National Natural Science Foundation of China(Grant No.52472205)+1 种基金the Fundamental Research Funds for the Central Universities(Grant Nos.CCNU25ZH006 and JC2026TS-006)the Hubei Provincial Natural Science Foundation of China(Grant No.2025EHA032)。
摘要Energy above the convex hull(Ehull)is a key thermodynamic criterion for assessing phase stability.However,the enormous computational cost required for phase diagram construction hinders the prediction of Ehull,underscoring the need for data-driven approaches.Here,a hybrid framework integrating an autoencoder with a random forest classifier was proposed to effectively categorize crystal structures into stable,metastable,and unstable regimes according to Ehull thresholds,achieving an overall accuracy above 84%.More importantly,physically interpretable latent features associated with density,symmetry,and lattice were identified for stability prediction.Application to high-entropy oxides(HEOs)further demonstrates the effectiveness of the framework,revealing that structures with high configurational entropies and low cation radius mismatch are overwhelmingly classified as stable or metastable.Beyond confirming the dominant role of density and lattice features in stability prediction,SHAP analysis further suggests that larger disparities in atomic thermal conductivities and the regulation of the magnetic moment by limited magnetic atoms play a critical role in governing the stability of HEO structures.The interpretable and effective AE-RF algorithm developed in this work holds great potential for accelerating the discovery of novel HEOs and multicomponent materials.
基金National Key Laboratory(Grant Number:2024-CXPT-CF-J-055-05),P R China。
摘要Highly efficient low-Pt loading electrocatalysts towards oxygen reduction reaction(ORR)is urgent for advanced membrane electrode assemblies(MEA),directly determining the deployment of low-temperature fuel cells.For ORR,only exposed Pt atoms catalyze molecular oxygen reduction into water,signifying that interior Pt atoms are theoretically replaced by cheaper metals.Core-shell structure is well-known as an ideal model to solve this challenge where Pt atoms mainly locate at the(near-)surface region.Additionally,interior core presents a promising promoter role towards d-band center of Pt shell by short-range ligand effect and long-range strain effect,both which is affected by their large difference in electronegativity and lattice mismatch,respectively.Therefore,the adsorption energy of oxygenated species on Pt shell surface is theoretically optimized by well-designed core structure.In this review,the development of low Pt loading core-shell electrocatalysts is systematically summarized.The effect of composition,shape,element distribution and anisotropy on performance and corresponding enhancement mechanism is also discussed in depth.This review provides an encouraging guideline to fabricate high-performance low-Pt loading core-shell electrocatalysts.
摘要The photocatalytic conversion of nitrate(NO3-)into ammonia(NH4+)under mild conditions offers a promising approach for mitigating environmental nitrate contamination.The efficiency of this process is fundamentally governed by the adsorption and activation of NO3-and its intermediates,which are significantly influenced by the surface electronic properties of the catalyst,particularly the position of the d-band center.However,conventional approaches to tune the surface electronic structure such as doping with extraneous elements or forming heterojunctions often alter the overall band structure seriously,typically leading to reduced photocatalytic activity.In this study,the d-band state of(CuGa)xZn1-2xGa2S4semiconductor is engineered through Al3+surface decoration without affecting the conduction band or the bandgap to enhance NO3-adsorption and activation.X-ray photoelectron spectroscopy and X-ray absorption fine structure analyses reveal that the surface doping of Al3+do not induce obviously energy band structure change but the d-band center,which shift more closer to Fermi level in comparison with pristine material.Electronic energy band analyses indicate that Al3+decoration does not significantly alter the conduction band or bandgap.Moreover,the Al3+-modified material demonstrates a substantial improvement in photocatalytic conversion of NO3-into NH4+,increasing the NH4+production rate from 0.18 to 0.93 mmol h-1g-1.Density functional theory calculations further revealed that the d-band center of Al3+/(CuGa)xZn1-2xGa2S4shifted closer to the Fermi level,moving from -4.75 to -4.54 eV compared to the pristine(CuGa)xZn1-2xGa2S4.This shift lowered the Gibbs free energy for the adsorption of NO3-reduction intermediates,thereby enhancing the conversion efficiency of NO3-into NH4+.This work introduces an effective strategy for surface d-band states modulation without altering the intrinsic band structure to improve nitrate reduction performance,offering deep insights into the future design of materials for environmental remediation applications.