In cloaking, a body is hidden from detection by surrounding it by a coating consisting of an unusual anisotropic nonhomogeneous material. The permittivity and permeability of such a cloak are determined by the coordin...In cloaking, a body is hidden from detection by surrounding it by a coating consisting of an unusual anisotropic nonhomogeneous material. The permittivity and permeability of such a cloak are determined by the coordinate transformation of compressing a hidden body into a point or a line. The radially-dependent spherical cloaking shell can be approximately discretized into many homogeneous anisotropic layers;each anisotropic layer can be replaced by a pair of equivalent isotropic sub-layers, where the effective medium approximation is used to find the parameters of these two equivalent sub-layers. In this work, the scattering properties of cloaked dielectric sphere is investigated using a combination of approximate cloaking, where the dielectric sphere is transformed into a small sphere rather than to a point, together with discretizing the cloaking material using pairs of homogeneous isotropic sub-layers. The back-scattering normalized radar cross section, the scattering patterns are studied and the total scattering cross section against the frequency for different number of layers and transformed radius.展开更多
Ultrasonic-Assisted Grinding(UAG)is a novel manufacturing technology that shows promising promise for use in processing Ceramic Matrix Composites(CMCs).Nevertheless,analyzing the material removal process of CMCs with ...Ultrasonic-Assisted Grinding(UAG)is a novel manufacturing technology that shows promising promise for use in processing Ceramic Matrix Composites(CMCs).Nevertheless,analyzing the material removal process of CMCs with multidirectional structure during UAG is challenging,impeding the progress and improvement of the UAG process.This work examined the impact of ultrasonic vibration on the dynamic mechanical characteristics during processing.Additionally,we experimentally elucidated the material removal mechanism of CMCs during the scratching process under the influence of vertical vibration.The results indicate that the introduction of ultrasonic vibration causes a strain rate effect,resulting in a modification of the material removal mechanism,subsequently impacting the processing quality.Ultrasonic vibration increases the dynamic strength and brittleness of the fibers in CMCs,leading to more cracks at fracture,which changes from the original bending fracture to shear fracture.In addition,ultrasonic vibration can effectively inhibit the impact of scratching depth and anisotropy on the removal mechanism of CMCs,resulting in a more uniform surface of CMCs after processing.展开更多
Moisture electricity generation(MEG)has emerged as a sustainable and versatile energy-harvesting technology capable of converting ubiquitous environmental moisture into electrical energy,which holds great promise for ...Moisture electricity generation(MEG)has emerged as a sustainable and versatile energy-harvesting technology capable of converting ubiquitous environmental moisture into electrical energy,which holds great promise for renewable energy and constructing self-powered electronics.In this review,we begin by outlining the fundamental mechanisms—ion diffusion,electric double layer formation,and streaming potential—that govern charge transport for MEG in moist environments.A comprehensive survey of material innovations follows,highlighting breakthroughs in carbon-based materials,conductive polymers,hydrogels,and bio-inspired systems that enhance MEG performance,scalability,and biocompatibility.We then explore a range of device architectures,from planar and layered systems to flexible,miniaturized,and textile-integrated designs,engineered for both energy conversion and sensor integration.Key challenges are analyzed,along with strategies for overcoming them.We conclude with a forward-looking perspective on future directions,including hybrid energy systems,AI-assisted material design,and real-world deployment.This review presents a timely and comprehensive overview of MEG technologies and their trajectory toward practical and sustainable energy solutions.展开更多
The reactive materials filled structure(RMFS)is a structural penetrator that replaces high explosive(HE)with reactive materials,presenting a novel self-distributed initiation,multiple deflagrations behavior during pen...The reactive materials filled structure(RMFS)is a structural penetrator that replaces high explosive(HE)with reactive materials,presenting a novel self-distributed initiation,multiple deflagrations behavior during penetrating multi-layered plates,and generating a multipeak overpressure behind the plates.Here analytical models of RMFS self-distributed energy release and equivalent deflagration are developed.The multipeak overpressure formation model based on the single deflagration overpressure expression was promoted.The impact tests of RMFS on multi-layered plates at 584 m/s,616 m/s,and819 m/s were performed to validate the analytical model.Further,the influence of a single overpressure peak and time intervals versus impact velocity is discussed.The analysis results indicate that the deflagration happened within 20.68 mm behind the plate,the initial impact velocity and plate thickness are the crucial factors that dominate the self-distributed multipeak overpressure effect.Three formation patterns of multipeak overpressure are proposed.展开更多
Photocatalytic nitrogen fixation (PNF) is a promising alternative to the Haber-Bosch process.It achieves green ammonia production by utilizing solar energy for nitrogen fixation under mild conditions.While nanoscale p...Photocatalytic nitrogen fixation (PNF) is a promising alternative to the Haber-Bosch process.It achieves green ammonia production by utilizing solar energy for nitrogen fixation under mild conditions.While nanoscale photocatalysts offer enhanced performance due to their high surface area and abundant active sites,their small size makes them difficult to recover and prone to agglomeration.These bottlenecks severely limit industrial application.A promising solution is to immobilize the catalysts onto support surfaces.This paper provides a systematic review of recent advances in the design of immobilized photocatalysts for ammonia synthesis.It begins by outlining the key benefits of immobilization strategies,particularly in improving catalyst stability,recyclability,and overall photocatalytic performance.The working mechanisms and features of various immobilization techniques are then categorized and explained,covering physical adsorption/deposition,chemical bonding,in situ growth,and hybrid physico-chemical methods.Supported materials and common substrate types are also summarized.Furthermore,the widely used configurations of photoreactors suitable for immobilized systems are introduced.Finally,the review identifies current research limitations and challenges,and offers perspectives on future developments in the field of immobilized photocatalysis.展开更多
Coal cinder is an abundant byproduct of the extensive consumption of coal in industrial production and daily life.Making full use of the cinder is conducive to a low-carbon economy.In this study,inspired by the burnin...Coal cinder is an abundant byproduct of the extensive consumption of coal in industrial production and daily life.Making full use of the cinder is conducive to a low-carbon economy.In this study,inspired by the burning of coal,a new method for constructing a silica-based composite porous material(SiO_(2)-CPM)was developed by combusting a siloxane-modified anthracite coal gel(CSiO_(2) gel).During this process,the combustion product was directly converted into a porous material,and the calorific value of the coal remained nearly unchanged(~98%of the original calorific value was retained),demonstrating the viability of this method for energy-efficient applications.The SiO_(2)-CPM exhibited an ultra-low thermal conductivity(0.036 W/(m·K)at room temperature),outperforming conventional insulation materials(e.g.,cotton~0.05 W/(m·K)).Additionally,it showed enhanced mechanical strength(fracture stress of 41.8 kPa)compared to the powder state of the coal cinder.Experimental results indicate that the amount of siloxane,structure-directing agent,and an acidic environment were critical for mechanical enhancement.The SiO_(2)-CPM showed good dimensional stability against thermal expansion and exhibited excellent thermal insulation and fire resistance even at 900℃.Meanwhile,the SiO_(2)-CPM with complex geometry could be easily fabricated using this method owing to the excellent shaping ability of the CSiO_(2) gel.Compared to conventional methods such as sol-gel synthesis or freeze-drying,this approach for fabricating SiO_(2)-CPM is simpler and cost-effective and allows the direct utilization of coal cinder post-combustion.展开更多
Biomedical applications necessitate natural or synthetic biomaterials that can maintain,improve,or even replace damaged tissue or a biological function,facilitating healing for people who have suffered from an injury ...Biomedical applications necessitate natural or synthetic biomaterials that can maintain,improve,or even replace damaged tissue or a biological function,facilitating healing for people who have suffered from an injury or disease.Metallic biomaterials show superior mechanical properties with greater service life than other materials.Biodegradable materials can avoid the inevitable second operation of removing the implant in the case of temporary implantation,reducing the risk of infections,medical complications,healing time,and cost.Magnesium(Mg),zinc(Zn),iron(Fe),and their alloys are potential biodegradable metallic materials.The characteristics of biodegradable metallic materials are variable and depend on many factors,such as alloying elements,microstructure,existing phases,and thermomechanical treatment.The current review emphasizes the impact of alloying element addition on the characteristics of metallic biodegradable materials,with particular attention to the relationships between alloying elements,microstructure,mechanical performance,corrosion,and biocompatibility.Mg alloys show good mechanical and corrosion properties with excellent biocompatibility.Using biocompatible alloying elements can improve Mg alloy mechanical and corrosion properties without af-fecting their biocompatibility.However,critical limitations are still maintained,like rapid degradation and gas bubble formation.Zn alloys could overcome the limitations of Mg alloys with appropriate degradation rates,ease of casting and processing,and good biocompatibility.Alloying,particularly with Mg,Li,and Cu,combined with thermomechanical treatment,can significantly affect the microstructure and mechanical performance of Zn alloys and overcome the problem of unsuitable mechanical properties.Fe alloys have excellent mechanical performance,formability,and biocompatibility with a low degradation rate.Applying surface treatment,using novel structures,alloying with the appropriate amount of alloying elements,and using advanced manufacturing techniques may present a way to solve the problems associated with biodegradable metallic materials,which could open new horizons and increase their applicability in biomedical applications.展开更多
Though the formation of polysulfide is desirable,as it contributes to the capacity build-up,it must not leak into the electrolyte.The loss of polysulfide causes capacity fade,a change in the local chemistry of the ele...Though the formation of polysulfide is desirable,as it contributes to the capacity build-up,it must not leak into the electrolyte.The loss of polysulfide causes capacity fade,a change in the local chemistry of the electrolyte,and anode poisoning.Constant efforts are in progress to find suitable polysulfide-absorbing materials;however,the magical polysulfide absorber is yet to be discovered or developed.Experimental methods alone often fall short in accelerating the investigations may be due to the complex Nature of the testing.This review focuses on the importance of computational methods,particularly density functional theory(DFT),in screening suitable polysulfide absorbers.It highlights the critical role of anchoring materials in improving Na-S battery performance,including pristine and doped graphene,metal–organic frameworks,carbon Nanofibers,vanadium disulfide,MXenes,and metal sulfides.By examining adsorption energies,charge transfer mechanisms,and catalytic properties,this review provides insights into the design of advanced materials that can effectively immobilize polysulfides and enhance battery stability.The review aims to guide future research efforts toward the development of high-performance RT Na-S batteries through a comprehensive understanding of the polysulfide-absorbing materials.展开更多
Cement stands as a dominant contributor to global energy consumption and carbon emissions in the construction industry.With the upgrading of infrastructure and the improvement of building standards,traditional cement ...Cement stands as a dominant contributor to global energy consumption and carbon emissions in the construction industry.With the upgrading of infrastructure and the improvement of building standards,traditional cement fails to reconcile ecological responsibility with advanced functional performance.By incorporating tailored fillers into cement matrices,the resulting composites achieve enhanced thermoelectric(TE)conversion capabilities.These materials can harness solar radiation from building envelopes and recover waste heat from indoor thermal gradients,facilitating bidirectional energy conversion.This review offers a comprehensive and timely overview of cementbased thermoelectric materials(CTEMs),integrating material design,device fabrication,and diverse applications into a holistic perspective.It summarizes recent advancements in TE performance enhancement,encompassing fillers optimization and matrices innovation.Additionally,the review consolidates fabrication strategies and performance evaluations of cement-based thermoelectric devices(CTEDs),providing detailed discussions on their roles in monitoring and protection,energy harvesting,and smart building.We also address sustainability,durability,and lifecycle considerations of CTEMs,which are essential for real-world deployment.Finally,we outline future research directions in materials design,device engineering,and scalable manufacturing to foster the practical application of CTEMs in sustainable and intelligent infrastructure.展开更多
Responsive colorimetric materials exhibit significant potential for application in fields such as smart food packaging and wound monitoring.The functional integration of pH-indicators with material carriers enables br...Responsive colorimetric materials exhibit significant potential for application in fields such as smart food packaging and wound monitoring.The functional integration of pH-indicators with material carriers enables breakthrough applications in nontraditional domains.In this study,we developed a novel material covalently grafted with a pH indicator that exhibited naked-eye pH-responsive color shifts.The covalent grafting of pH-responsive bromothymol blue onto carboxymethyl cellulose(CMC)was confirmed using advanced characterization techniques,including Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy.The pH-sensitive chromophore was covalently immobilized onto the CMC matrix through esterification,thereby establishing firm chemical conjugation.Moreover,a superior color-changing performance was achieved within several minutes in response to different pH values.The reusability and stability of this material offer distinct advantages over single-use pH test strips.pH-responsive colorimetric materials hold promise for efficient,noninvasive monitoring in intelligent packaging(food freshness),medical diagnostics(wound status,infections),biosensing,and environmental applications.展开更多
A soft X-ray energy materials research beamline(BL20U2),a branch of energy materials beamline(E-line),has been constructed in the Shanghai Synchrotron Radiation Facility(SSRF)Phase-Ⅱ project.It is now operational for...A soft X-ray energy materials research beamline(BL20U2),a branch of energy materials beamline(E-line),has been constructed in the Shanghai Synchrotron Radiation Facility(SSRF)Phase-Ⅱ project.It is now operational for soft X-ray resonant emission spectroscopy(RXES)and soft X-ray resonant elastic scattering(REXS)investigations.Optical optimization was implemented for high performance,e.g.,photon flux,energy-resolving power,and focus spot size.RXES experiments show that the energy range extends from 150 to 1500 eV.The elastic peak measured near titanium absorption edge(@445 eV)indicates an energy resolution of the RXES spectrometer of 65 meV.The measured photon flux is 3×10^(12)photons/s at 244 eV at the RXES sample position for an SSRF electron energy of 3.5 GeV and a projected ring current as 300 mA.The spot size at the RXES sample position is 23μm in the horizontal direction and 7.9μm in the vertical direction,respectively.Moreover,the angular resolution of elastic REXS scatterometer reaches 0.005°through measurement of X-ray reflection from the single-crystal silicon wafers.A sample of the REXS scatterometer is vibrationally decoupled from its chamber and cooled using copper braids connected from an open cycle liquid helium cryo reservoir,whereas the minimum sample temperature is below 15 K.展开更多
Lattice materials have demonstrated promising potential in engineering applications owing to their exceptional lightweight,high specific strength,and tunable mechanical properties.However,the traditional homogenizatio...Lattice materials have demonstrated promising potential in engineering applications owing to their exceptional lightweight,high specific strength,and tunable mechanical properties.However,the traditional homogenization methods based on the classical elasticity theory struggle to accurately describe the non-classical mechanical behaviors of lattice materials,especially when dealing with complex unit-cell geometries featured by non-symmetric configurations or non-single central node connections.In response to this limitation,this study establishes a generalized homogenization model based on the micropolar theory framework,employing Hill's boundary conditions to precisely predict the equivalent moduli of complex lattice materials.By introducing the independent rotational degree of freedom(DOF)characteristic of the micropolar theory,the proposed model successfully overcomes the limitation of conventional methods in accurately describing the asymmetric deformation and scale effects.We initially calculate the constitutive relations of two-dimensional(2D)cross-shaped multi-node chiral lattices and subsequently extend the method to three-dimensional(3D)lattices,successfully predicting the mechanical properties of both traditional and eccentric body-centered cubic(BCC)lattices.The theoretical model is validated through the finite element numerical verification which shows excellent consistency with the theoretical predictions.A further parametric study investigates the influence of geometric parameters,revealing the underlying size-effect mechanism.This paper provides a reliable theoretical tool for the design and property optimization of complex lattice materials.展开更多
This study focuses on permanent surface dislocations caused by a strike-slip fault in an alluvial valley.A twodimensional mathematical model is utilized,considering the valley to have a half-cylindrical shape.The vall...This study focuses on permanent surface dislocations caused by a strike-slip fault in an alluvial valley.A twodimensional mathematical model is utilized,considering the valley to have a half-cylindrical shape.The valley medium is assumed to be isotropic,linear elastic and nonhomogeneous,such that the shear modulus of the valley has spatial dependency.The valley is surrounded by an isotropic,linear elastic and homogeneous half-space.A strike-slip fault is located at the intersection between the valley and the half-space.The problem is solved analytically by using finite Fourier transform.Displacement functions are obtained in closed-form,in terms of power series and hypergeometric function series.Unknown coefficients of these series are determined from the boundary conditions,leading to an analytical exact solution.Numerical results indicate that the nonhomogeneity of the alluvial valley material has a limited impact on permanent surface dislocations unless there is a significant variation in the material properties within the functionally graded zone.In many cases,approximating the nonhomogeneous alluvial valley as a homogeneous medium is suitable.展开更多
The growing global energy demand and worsening climate change highlight the urgent need for clean,efficient and sustainable energy solutions.Among emerging technologies,atomically thin two-dimensional(2D)materials off...The growing global energy demand and worsening climate change highlight the urgent need for clean,efficient and sustainable energy solutions.Among emerging technologies,atomically thin two-dimensional(2D)materials offer unique advantages in photovoltaics due to their tunable optoelectronic properties,high surface area and efficient charge transport capabilities.This review explores recent progress in photovoltaics incorporating 2D materials,focusing on their application as hole and electron transport layers to optimize bandgap alignment,enhance carrier mobility and improve chemical stability.A comprehensive analysis is presented on perovskite solar cells utilizing 2D materials,with a particular focus on strategies to enhance crystallization,passivate defects and improve overall cell efficiency.Additionally,the application of 2D materials in organic solar cells is examined,particularly for reducing recombination losses and enhancing charge extraction through work function modification.Their impact on dye-sensitized solar cells,including catalytic activity and counter electrode performance,is also explored.Finally,the review outlines key challenges,material limitations and performance metrics,offering insight into the future development of nextgeneration photovoltaic devices encouraged by 2D materials.展开更多
Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade...Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade,lasers have emerged as a promising solution,providing focused energy beams for controllable,efficient,and reliable ignition in the field of energetic materials.This study presents a comparative analysis of two state-of-the-art ignition approaches:direct laser ignition and laser-driven flyer ignition.Experiments were performed using a Neodymium-doped Yttrium Aluminum Garnet(Nd:YAG)laser at different energy beam levels to systematically evaluate ignition onset.In the direct laser ignition test setup,the laser beam was applied directly to the energetic tested material,while laserdriven flyer ignition utilized 40 and 100μm aluminum foils,propelled at velocities ranging from 300 to 1250 m/s.Comparative analysis with the Lawrence and Trott model substantiated the velocity data and provided insight into the ignition mechanisms.Experimental results indicate that the ignition time for the laser-driven flyer method was significantly shorter,with the pyrotechnic composition achieving complete combustion faster compared to direct laser ignition.Moreover,precise ignition thresholds were determined for both methods,providing critical parameters for optimizing ignition systems in energetic materials.This work elucidates the advantages and limitations of each technique while advancing next-generation ignition technology,enhancing the reliability and safety of propulsion systems.展开更多
Flash Joule heating(FJH),as a high-efficiency and low-energy consumption technology for advanced materials synthesis,has shown significant potential in the synthesis of graphene and other functional carbon materials.B...Flash Joule heating(FJH),as a high-efficiency and low-energy consumption technology for advanced materials synthesis,has shown significant potential in the synthesis of graphene and other functional carbon materials.Based on the Joule effect,the solid carbon sources can be rapidly heated to ultra-high temperatures(>3000 K)through instantaneous high-energy current pulses during FJH,thus driving the rapid rearrangement and graphitization of carbon atoms.This technology demonstrates numerous advantages,such as solvent-and catalyst-free features,high energy conversion efficiency,and a short process cycle.In this review,we have systematically summarized the technology principle and equipment design for FJH,as well as its raw materials selection and pretreatment strategies.The research progress in the FJH synthesis of flash graphene,carbon nanotubes,graphene fibers,and anode hard carbon,as well as its by-products,is also presented.FJH can precisely optimize the microstructures of carbon materials(e.g.,interlayer spacing of turbostratic graphene,defect concentration,and heteroatom doping)by regulating its operation parameters like flash voltage and flash time,thereby enhancing their performances in various applications,such as composite reinforcement,metal-ion battery electrodes,supercapacitors,and electrocatalysts.However,this technology is still challenged by low process yield,macroscopic material uniformity,and green power supply system construction.More research efforts are also required to promote the transition of FJH from laboratory to industrial-scale applications,thus providing innovative solutions for advanced carbon materials manufacturing and waste management toward carbon neutrality.展开更多
The outstanding performance of O3-type NaNi_(1/3)Fe_(1/3)Mn_(1/3)O_(2)(NFM111)at both high and low temperatures coupled with its impressive specific capacity makes it an excellent cathode material for sodium-ion batte...The outstanding performance of O3-type NaNi_(1/3)Fe_(1/3)Mn_(1/3)O_(2)(NFM111)at both high and low temperatures coupled with its impressive specific capacity makes it an excellent cathode material for sodium-ion batteries.However,its poor cycling,owing to highpressure phase transitions,is one of its disadvantages.In this study,Cu/Ti was introduced into NFM111 cathode material using a solidphase method.Through both theoretically and experimentally,this study found that Cu doping provides a higher redox potential in NFM111,improving its reversible capacity and charge compensation process.The introduction of Ti would enhance the cycling stability of the material,smooth its charge and discharge curves,and suppress its high-voltage phase transitions.Accordingly,the NaNi_(0.27)Fe_(0.28)Mn_(0.33)Cu_(0.05)Ti_(0.06)O_(2)sample used in the study exhibited a remarkable rate performance of 142.97 mAh·g^(-1)at 0.1 C(2.0-4.2 V)and an excellent capacity retention of 72.81%after 300 cycles at 1C(1C=150 mA·g^(-1)).展开更多
Recent years have witnessed the significant breakthrough in the field of new materials discovery brought about by the artificial intelligence(AI).AI has successfully been applied for predicting the formability,reveali...Recent years have witnessed the significant breakthrough in the field of new materials discovery brought about by the artificial intelligence(AI).AI has successfully been applied for predicting the formability,revealing the properties,and guiding the experimental synthesis of materials.Rapid progress has been made in the integration of increasing database and improved computing power.Though some reviews present the development from their unique aspects,reviews from the view of how AI empowered both discovery of new materials and cognition of existing materials that covers the completed contents with two synergistical aspects are few.Here,the newest development is systematically reviewed in the field of AI empowered materials,reflecting advanced design of the intelligent systems for discovery,synthesis,prediction and validation of materials.First,background and mechanisms are briefed,after which the design for the AI systems with data,machine learning and automated laboratory included is illustrated.Next,strategies are summarized to obtain the AI systems for materials with improved performance which comprehensively cover the aspects from the in-depth cognizance of existing material and the rapid discovery of new materials,and then,the design thought for future AI systems in material science is pointed out.Finally,some perspectives are put forward.展开更多
Achieving high energy and power densities is currently a core challenge in the fabrication of energy storage materials.Although numerous high-capacity materials have been developed,conventional planar electrodes canno...Achieving high energy and power densities is currently a core challenge in the fabrication of energy storage materials.Although numerous high-capacity materials have been developed,conventional planar electrodes cannot achieve high active material loading and efficient ion/electron transport simultaneously.By contrast,three-dimensional(3D)structures have attracted increasing interest because of their capacity to enhance active material utilization,shorten ion and electron transport pathways,reduce interfacial impedance,and provide spatial accommodation for volume expansion.Additive manufacturing(AM)technology effectively fabricates energy-storage materials with 3D structures by accurately constructing complex 3D structures via layer-by-layer deposition.Recent studies have employed AM to construct ordered 3D electrodes that can optimize ion/electron transport,regulate electric field distribution,or improve the electrode-electrolyte interface,thereby contributing to enhanced kinetic performance and cycling stability.This review systematically summarizes the applications of several AM technologies in the fabrication of energy storage materials and analyzes their respective advantages and limitations.Subsequently,the advantages of AM technology in the fabrication of energy storage materials and several major optimization strategies are comprehensively discussed.Finally,the major challenges and potential applications of AM technology in energy storage material optimization are discussed.展开更多
As the core determinant of lithium-ion battery performance,electrode materials play a crucial role in defining the battery's capacity,cycling stability,and durability.During charging and discharging,electrode mate...As the core determinant of lithium-ion battery performance,electrode materials play a crucial role in defining the battery's capacity,cycling stability,and durability.During charging and discharging,electrode materials undergo complex ion intercalation and deintercalation processes,accompanied by defect formation and structural evolution.However,the microscopic mechanisms underlying processes such as cation disordering,lattice oxygen loss,and stage structure formation are still not fully understood.To address these challenges,we have developed the Electrode Dynamic Ion Intercalation/Deintercalation Simulator(EDIS),a software platform designed to simulate the dynamic processes of ion intercalation and deintercalation in electrode materials.Leveraging high-precision machine learning potentials,EDIS can efficiently model structural evolution and lithium-ion diffusion behavior under various states of charge and discharge,achieving accuracy approaching that of quantum mechanical methods in relevant chemical spaces.The software supports quantitative analysis of how variations in lithium-ion concentration and distribution affect lithium-ion transport properties,enables evaluation of the impact of structural defects,and allows for tracking of both structural evolution and transport characteristics during continuous cycling.EDIS is versatile and can be extended to sodium-ion batteries and related systems.By enabling in-depth analysis of these microscopic processes,EDIS provides a robust theoretical tool for mechanistic studies and the rational design of high-performance electrode materials for next-generation lithium-ion batteries.展开更多
文摘In cloaking, a body is hidden from detection by surrounding it by a coating consisting of an unusual anisotropic nonhomogeneous material. The permittivity and permeability of such a cloak are determined by the coordinate transformation of compressing a hidden body into a point or a line. The radially-dependent spherical cloaking shell can be approximately discretized into many homogeneous anisotropic layers;each anisotropic layer can be replaced by a pair of equivalent isotropic sub-layers, where the effective medium approximation is used to find the parameters of these two equivalent sub-layers. In this work, the scattering properties of cloaked dielectric sphere is investigated using a combination of approximate cloaking, where the dielectric sphere is transformed into a small sphere rather than to a point, together with discretizing the cloaking material using pairs of homogeneous isotropic sub-layers. The back-scattering normalized radar cross section, the scattering patterns are studied and the total scattering cross section against the frequency for different number of layers and transformed radius.
基金supported by the National Science Foundation for Distinguished Young Scholars of China(No.52325506)the Fundamental Research Funds for the Central Universities(No.DUT22LAB501)。
文摘Ultrasonic-Assisted Grinding(UAG)is a novel manufacturing technology that shows promising promise for use in processing Ceramic Matrix Composites(CMCs).Nevertheless,analyzing the material removal process of CMCs with multidirectional structure during UAG is challenging,impeding the progress and improvement of the UAG process.This work examined the impact of ultrasonic vibration on the dynamic mechanical characteristics during processing.Additionally,we experimentally elucidated the material removal mechanism of CMCs during the scratching process under the influence of vertical vibration.The results indicate that the introduction of ultrasonic vibration causes a strain rate effect,resulting in a modification of the material removal mechanism,subsequently impacting the processing quality.Ultrasonic vibration increases the dynamic strength and brittleness of the fibers in CMCs,leading to more cracks at fracture,which changes from the original bending fracture to shear fracture.In addition,ultrasonic vibration can effectively inhibit the impact of scratching depth and anisotropy on the removal mechanism of CMCs,resulting in a more uniform surface of CMCs after processing.
基金supported by the National Natural Science Foundation of China(52305388,BE0200030)Shanghai Pujiang Program(22PJ1407600)+1 种基金SJTU Explore X programShanghai Jiao Tong University Initiative Scientific Research Program(WH220402021)。
文摘Moisture electricity generation(MEG)has emerged as a sustainable and versatile energy-harvesting technology capable of converting ubiquitous environmental moisture into electrical energy,which holds great promise for renewable energy and constructing self-powered electronics.In this review,we begin by outlining the fundamental mechanisms—ion diffusion,electric double layer formation,and streaming potential—that govern charge transport for MEG in moist environments.A comprehensive survey of material innovations follows,highlighting breakthroughs in carbon-based materials,conductive polymers,hydrogels,and bio-inspired systems that enhance MEG performance,scalability,and biocompatibility.We then explore a range of device architectures,from planar and layered systems to flexible,miniaturized,and textile-integrated designs,engineered for both energy conversion and sensor integration.Key challenges are analyzed,along with strategies for overcoming them.We conclude with a forward-looking perspective on future directions,including hybrid energy systems,AI-assisted material design,and real-world deployment.This review presents a timely and comprehensive overview of MEG technologies and their trajectory toward practical and sustainable energy solutions.
基金the support received from the National Natural Science Foundation of China(Grant No.12302460)the State Key Laboratory of Explosion Science and Safety Protection(Grant No.YBKT24-02)。
文摘The reactive materials filled structure(RMFS)is a structural penetrator that replaces high explosive(HE)with reactive materials,presenting a novel self-distributed initiation,multiple deflagrations behavior during penetrating multi-layered plates,and generating a multipeak overpressure behind the plates.Here analytical models of RMFS self-distributed energy release and equivalent deflagration are developed.The multipeak overpressure formation model based on the single deflagration overpressure expression was promoted.The impact tests of RMFS on multi-layered plates at 584 m/s,616 m/s,and819 m/s were performed to validate the analytical model.Further,the influence of a single overpressure peak and time intervals versus impact velocity is discussed.The analysis results indicate that the deflagration happened within 20.68 mm behind the plate,the initial impact velocity and plate thickness are the crucial factors that dominate the self-distributed multipeak overpressure effect.Three formation patterns of multipeak overpressure are proposed.
基金support for carrying out this work was provided by the Doctoral Research Foundation of Weifang University(2024BS20)Science and Technology Development Plan Foundation of Weifang(2024GX017).
文摘Photocatalytic nitrogen fixation (PNF) is a promising alternative to the Haber-Bosch process.It achieves green ammonia production by utilizing solar energy for nitrogen fixation under mild conditions.While nanoscale photocatalysts offer enhanced performance due to their high surface area and abundant active sites,their small size makes them difficult to recover and prone to agglomeration.These bottlenecks severely limit industrial application.A promising solution is to immobilize the catalysts onto support surfaces.This paper provides a systematic review of recent advances in the design of immobilized photocatalysts for ammonia synthesis.It begins by outlining the key benefits of immobilization strategies,particularly in improving catalyst stability,recyclability,and overall photocatalytic performance.The working mechanisms and features of various immobilization techniques are then categorized and explained,covering physical adsorption/deposition,chemical bonding,in situ growth,and hybrid physico-chemical methods.Supported materials and common substrate types are also summarized.Furthermore,the widely used configurations of photoreactors suitable for immobilized systems are introduced.Finally,the review identifies current research limitations and challenges,and offers perspectives on future developments in the field of immobilized photocatalysis.
基金supported by the National Natural Science Foundation of China(No.52573220)the National Key R&D Program of China(No.2023YFC3404201)+1 种基金the Fundamental Research Funds for the Central Universities(No.FRF-IDRY-GD24-005)the State Key Laboratory of Solid Waste Reuse for Building Materials(No.SWR-2022-009).
文摘Coal cinder is an abundant byproduct of the extensive consumption of coal in industrial production and daily life.Making full use of the cinder is conducive to a low-carbon economy.In this study,inspired by the burning of coal,a new method for constructing a silica-based composite porous material(SiO_(2)-CPM)was developed by combusting a siloxane-modified anthracite coal gel(CSiO_(2) gel).During this process,the combustion product was directly converted into a porous material,and the calorific value of the coal remained nearly unchanged(~98%of the original calorific value was retained),demonstrating the viability of this method for energy-efficient applications.The SiO_(2)-CPM exhibited an ultra-low thermal conductivity(0.036 W/(m·K)at room temperature),outperforming conventional insulation materials(e.g.,cotton~0.05 W/(m·K)).Additionally,it showed enhanced mechanical strength(fracture stress of 41.8 kPa)compared to the powder state of the coal cinder.Experimental results indicate that the amount of siloxane,structure-directing agent,and an acidic environment were critical for mechanical enhancement.The SiO_(2)-CPM showed good dimensional stability against thermal expansion and exhibited excellent thermal insulation and fire resistance even at 900℃.Meanwhile,the SiO_(2)-CPM with complex geometry could be easily fabricated using this method owing to the excellent shaping ability of the CSiO_(2) gel.Compared to conventional methods such as sol-gel synthesis or freeze-drying,this approach for fabricating SiO_(2)-CPM is simpler and cost-effective and allows the direct utilization of coal cinder post-combustion.
文摘Biomedical applications necessitate natural or synthetic biomaterials that can maintain,improve,or even replace damaged tissue or a biological function,facilitating healing for people who have suffered from an injury or disease.Metallic biomaterials show superior mechanical properties with greater service life than other materials.Biodegradable materials can avoid the inevitable second operation of removing the implant in the case of temporary implantation,reducing the risk of infections,medical complications,healing time,and cost.Magnesium(Mg),zinc(Zn),iron(Fe),and their alloys are potential biodegradable metallic materials.The characteristics of biodegradable metallic materials are variable and depend on many factors,such as alloying elements,microstructure,existing phases,and thermomechanical treatment.The current review emphasizes the impact of alloying element addition on the characteristics of metallic biodegradable materials,with particular attention to the relationships between alloying elements,microstructure,mechanical performance,corrosion,and biocompatibility.Mg alloys show good mechanical and corrosion properties with excellent biocompatibility.Using biocompatible alloying elements can improve Mg alloy mechanical and corrosion properties without af-fecting their biocompatibility.However,critical limitations are still maintained,like rapid degradation and gas bubble formation.Zn alloys could overcome the limitations of Mg alloys with appropriate degradation rates,ease of casting and processing,and good biocompatibility.Alloying,particularly with Mg,Li,and Cu,combined with thermomechanical treatment,can significantly affect the microstructure and mechanical performance of Zn alloys and overcome the problem of unsuitable mechanical properties.Fe alloys have excellent mechanical performance,formability,and biocompatibility with a low degradation rate.Applying surface treatment,using novel structures,alloying with the appropriate amount of alloying elements,and using advanced manufacturing techniques may present a way to solve the problems associated with biodegradable metallic materials,which could open new horizons and increase their applicability in biomedical applications.
基金supported by the Indian Institute of Technology Delhi (IIT Delhi)
文摘Though the formation of polysulfide is desirable,as it contributes to the capacity build-up,it must not leak into the electrolyte.The loss of polysulfide causes capacity fade,a change in the local chemistry of the electrolyte,and anode poisoning.Constant efforts are in progress to find suitable polysulfide-absorbing materials;however,the magical polysulfide absorber is yet to be discovered or developed.Experimental methods alone often fall short in accelerating the investigations may be due to the complex Nature of the testing.This review focuses on the importance of computational methods,particularly density functional theory(DFT),in screening suitable polysulfide absorbers.It highlights the critical role of anchoring materials in improving Na-S battery performance,including pristine and doped graphene,metal–organic frameworks,carbon Nanofibers,vanadium disulfide,MXenes,and metal sulfides.By examining adsorption energies,charge transfer mechanisms,and catalytic properties,this review provides insights into the design of advanced materials that can effectively immobilize polysulfides and enhance battery stability.The review aims to guide future research efforts toward the development of high-performance RT Na-S batteries through a comprehensive understanding of the polysulfide-absorbing materials.
基金supported by the National Natural Science Foundation of China(No.52242305).
文摘Cement stands as a dominant contributor to global energy consumption and carbon emissions in the construction industry.With the upgrading of infrastructure and the improvement of building standards,traditional cement fails to reconcile ecological responsibility with advanced functional performance.By incorporating tailored fillers into cement matrices,the resulting composites achieve enhanced thermoelectric(TE)conversion capabilities.These materials can harness solar radiation from building envelopes and recover waste heat from indoor thermal gradients,facilitating bidirectional energy conversion.This review offers a comprehensive and timely overview of cementbased thermoelectric materials(CTEMs),integrating material design,device fabrication,and diverse applications into a holistic perspective.It summarizes recent advancements in TE performance enhancement,encompassing fillers optimization and matrices innovation.Additionally,the review consolidates fabrication strategies and performance evaluations of cement-based thermoelectric devices(CTEDs),providing detailed discussions on their roles in monitoring and protection,energy harvesting,and smart building.We also address sustainability,durability,and lifecycle considerations of CTEMs,which are essential for real-world deployment.Finally,we outline future research directions in materials design,device engineering,and scalable manufacturing to foster the practical application of CTEMs in sustainable and intelligent infrastructure.
基金financially supported by the National Natural Science Foundation of China(No.52303209)the“Lingyan”Program of Zhejiang Province(No.2024C03076)+1 种基金Zhejiang University K.P.Chao’s High Technology Development Foundationthe generous support provided by the joint research fund from the Shaoxing Institute of Zhejiang University and Shaoxing Maternity and Child Health Care Hospital。
文摘Responsive colorimetric materials exhibit significant potential for application in fields such as smart food packaging and wound monitoring.The functional integration of pH-indicators with material carriers enables breakthrough applications in nontraditional domains.In this study,we developed a novel material covalently grafted with a pH indicator that exhibited naked-eye pH-responsive color shifts.The covalent grafting of pH-responsive bromothymol blue onto carboxymethyl cellulose(CMC)was confirmed using advanced characterization techniques,including Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy.The pH-sensitive chromophore was covalently immobilized onto the CMC matrix through esterification,thereby establishing firm chemical conjugation.Moreover,a superior color-changing performance was achieved within several minutes in response to different pH values.The reusability and stability of this material offer distinct advantages over single-use pH test strips.pH-responsive colorimetric materials hold promise for efficient,noninvasive monitoring in intelligent packaging(food freshness),medical diagnostics(wound status,infections),biosensing,and environmental applications.
文摘A soft X-ray energy materials research beamline(BL20U2),a branch of energy materials beamline(E-line),has been constructed in the Shanghai Synchrotron Radiation Facility(SSRF)Phase-Ⅱ project.It is now operational for soft X-ray resonant emission spectroscopy(RXES)and soft X-ray resonant elastic scattering(REXS)investigations.Optical optimization was implemented for high performance,e.g.,photon flux,energy-resolving power,and focus spot size.RXES experiments show that the energy range extends from 150 to 1500 eV.The elastic peak measured near titanium absorption edge(@445 eV)indicates an energy resolution of the RXES spectrometer of 65 meV.The measured photon flux is 3×10^(12)photons/s at 244 eV at the RXES sample position for an SSRF electron energy of 3.5 GeV and a projected ring current as 300 mA.The spot size at the RXES sample position is 23μm in the horizontal direction and 7.9μm in the vertical direction,respectively.Moreover,the angular resolution of elastic REXS scatterometer reaches 0.005°through measurement of X-ray reflection from the single-crystal silicon wafers.A sample of the REXS scatterometer is vibrationally decoupled from its chamber and cooled using copper braids connected from an open cycle liquid helium cryo reservoir,whereas the minimum sample temperature is below 15 K.
基金Project supported by the National Natural Science Foundation of China(No.12472077)the supports from Shanghai Gaofeng Project for University Academic Program Development,Fundamental Research Funds for the Central Universities(No.22120240353).
文摘Lattice materials have demonstrated promising potential in engineering applications owing to their exceptional lightweight,high specific strength,and tunable mechanical properties.However,the traditional homogenization methods based on the classical elasticity theory struggle to accurately describe the non-classical mechanical behaviors of lattice materials,especially when dealing with complex unit-cell geometries featured by non-symmetric configurations or non-single central node connections.In response to this limitation,this study establishes a generalized homogenization model based on the micropolar theory framework,employing Hill's boundary conditions to precisely predict the equivalent moduli of complex lattice materials.By introducing the independent rotational degree of freedom(DOF)characteristic of the micropolar theory,the proposed model successfully overcomes the limitation of conventional methods in accurately describing the asymmetric deformation and scale effects.We initially calculate the constitutive relations of two-dimensional(2D)cross-shaped multi-node chiral lattices and subsequently extend the method to three-dimensional(3D)lattices,successfully predicting the mechanical properties of both traditional and eccentric body-centered cubic(BCC)lattices.The theoretical model is validated through the finite element numerical verification which shows excellent consistency with the theoretical predictions.A further parametric study investigates the influence of geometric parameters,revealing the underlying size-effect mechanism.This paper provides a reliable theoretical tool for the design and property optimization of complex lattice materials.
文摘This study focuses on permanent surface dislocations caused by a strike-slip fault in an alluvial valley.A twodimensional mathematical model is utilized,considering the valley to have a half-cylindrical shape.The valley medium is assumed to be isotropic,linear elastic and nonhomogeneous,such that the shear modulus of the valley has spatial dependency.The valley is surrounded by an isotropic,linear elastic and homogeneous half-space.A strike-slip fault is located at the intersection between the valley and the half-space.The problem is solved analytically by using finite Fourier transform.Displacement functions are obtained in closed-form,in terms of power series and hypergeometric function series.Unknown coefficients of these series are determined from the boundary conditions,leading to an analytical exact solution.Numerical results indicate that the nonhomogeneity of the alluvial valley material has a limited impact on permanent surface dislocations unless there is a significant variation in the material properties within the functionally graded zone.In many cases,approximating the nonhomogeneous alluvial valley as a homogeneous medium is suitable.
基金supported by the IITP(Institute of Information & Communications Technology Planning & Evaluation)-ITRC(Information Technology Research Center) grant funded by the Korea government(Ministry of Science and ICT) (IITP-2025-RS-2024-00437191, and RS-2025-02303505)partly supported by the Korea Basic Science Institute (National Research Facilities and Equipment Center) grant funded by the Ministry of Education. (No. 2022R1A6C101A774)the Deanship of Research and Graduate Studies at King Khalid University, Saudi Arabia, through Large Research Project under grant number RGP-2/527/46
文摘The growing global energy demand and worsening climate change highlight the urgent need for clean,efficient and sustainable energy solutions.Among emerging technologies,atomically thin two-dimensional(2D)materials offer unique advantages in photovoltaics due to their tunable optoelectronic properties,high surface area and efficient charge transport capabilities.This review explores recent progress in photovoltaics incorporating 2D materials,focusing on their application as hole and electron transport layers to optimize bandgap alignment,enhance carrier mobility and improve chemical stability.A comprehensive analysis is presented on perovskite solar cells utilizing 2D materials,with a particular focus on strategies to enhance crystallization,passivate defects and improve overall cell efficiency.Additionally,the application of 2D materials in organic solar cells is examined,particularly for reducing recombination losses and enhancing charge extraction through work function modification.Their impact on dye-sensitized solar cells,including catalytic activity and counter electrode performance,is also explored.Finally,the review outlines key challenges,material limitations and performance metrics,offering insight into the future development of nextgeneration photovoltaic devices encouraged by 2D materials.
文摘Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade,lasers have emerged as a promising solution,providing focused energy beams for controllable,efficient,and reliable ignition in the field of energetic materials.This study presents a comparative analysis of two state-of-the-art ignition approaches:direct laser ignition and laser-driven flyer ignition.Experiments were performed using a Neodymium-doped Yttrium Aluminum Garnet(Nd:YAG)laser at different energy beam levels to systematically evaluate ignition onset.In the direct laser ignition test setup,the laser beam was applied directly to the energetic tested material,while laserdriven flyer ignition utilized 40 and 100μm aluminum foils,propelled at velocities ranging from 300 to 1250 m/s.Comparative analysis with the Lawrence and Trott model substantiated the velocity data and provided insight into the ignition mechanisms.Experimental results indicate that the ignition time for the laser-driven flyer method was significantly shorter,with the pyrotechnic composition achieving complete combustion faster compared to direct laser ignition.Moreover,precise ignition thresholds were determined for both methods,providing critical parameters for optimizing ignition systems in energetic materials.This work elucidates the advantages and limitations of each technique while advancing next-generation ignition technology,enhancing the reliability and safety of propulsion systems.
基金supported by the National Natural Science Foundation of China(52276196)the Foundation of State Key Laboratory of Coal Combustion(FSKLCCA2508)the High-level Talent Foundation of Anhui Agricultural University(rc412307).
文摘Flash Joule heating(FJH),as a high-efficiency and low-energy consumption technology for advanced materials synthesis,has shown significant potential in the synthesis of graphene and other functional carbon materials.Based on the Joule effect,the solid carbon sources can be rapidly heated to ultra-high temperatures(>3000 K)through instantaneous high-energy current pulses during FJH,thus driving the rapid rearrangement and graphitization of carbon atoms.This technology demonstrates numerous advantages,such as solvent-and catalyst-free features,high energy conversion efficiency,and a short process cycle.In this review,we have systematically summarized the technology principle and equipment design for FJH,as well as its raw materials selection and pretreatment strategies.The research progress in the FJH synthesis of flash graphene,carbon nanotubes,graphene fibers,and anode hard carbon,as well as its by-products,is also presented.FJH can precisely optimize the microstructures of carbon materials(e.g.,interlayer spacing of turbostratic graphene,defect concentration,and heteroatom doping)by regulating its operation parameters like flash voltage and flash time,thereby enhancing their performances in various applications,such as composite reinforcement,metal-ion battery electrodes,supercapacitors,and electrocatalysts.However,this technology is still challenged by low process yield,macroscopic material uniformity,and green power supply system construction.More research efforts are also required to promote the transition of FJH from laboratory to industrial-scale applications,thus providing innovative solutions for advanced carbon materials manufacturing and waste management toward carbon neutrality.
基金supported by the Low-Cost Long-Life Batteries program,China(No.WL-24-08-01)the National Natural Science Foundation of China(No.22279007)。
文摘The outstanding performance of O3-type NaNi_(1/3)Fe_(1/3)Mn_(1/3)O_(2)(NFM111)at both high and low temperatures coupled with its impressive specific capacity makes it an excellent cathode material for sodium-ion batteries.However,its poor cycling,owing to highpressure phase transitions,is one of its disadvantages.In this study,Cu/Ti was introduced into NFM111 cathode material using a solidphase method.Through both theoretically and experimentally,this study found that Cu doping provides a higher redox potential in NFM111,improving its reversible capacity and charge compensation process.The introduction of Ti would enhance the cycling stability of the material,smooth its charge and discharge curves,and suppress its high-voltage phase transitions.Accordingly,the NaNi_(0.27)Fe_(0.28)Mn_(0.33)Cu_(0.05)Ti_(0.06)O_(2)sample used in the study exhibited a remarkable rate performance of 142.97 mAh·g^(-1)at 0.1 C(2.0-4.2 V)and an excellent capacity retention of 72.81%after 300 cycles at 1C(1C=150 mA·g^(-1)).
基金supported by the Hong Kong Polytechnic University(Project No.4-ZZW1,4-YWER,97D9,4-W443)。
文摘Recent years have witnessed the significant breakthrough in the field of new materials discovery brought about by the artificial intelligence(AI).AI has successfully been applied for predicting the formability,revealing the properties,and guiding the experimental synthesis of materials.Rapid progress has been made in the integration of increasing database and improved computing power.Though some reviews present the development from their unique aspects,reviews from the view of how AI empowered both discovery of new materials and cognition of existing materials that covers the completed contents with two synergistical aspects are few.Here,the newest development is systematically reviewed in the field of AI empowered materials,reflecting advanced design of the intelligent systems for discovery,synthesis,prediction and validation of materials.First,background and mechanisms are briefed,after which the design for the AI systems with data,machine learning and automated laboratory included is illustrated.Next,strategies are summarized to obtain the AI systems for materials with improved performance which comprehensively cover the aspects from the in-depth cognizance of existing material and the rapid discovery of new materials,and then,the design thought for future AI systems in material science is pointed out.Finally,some perspectives are put forward.
基金support of the National Natural Science Foundation of China(No.52574411)Beijing Natural Science Foundation(No.2242043).
文摘Achieving high energy and power densities is currently a core challenge in the fabrication of energy storage materials.Although numerous high-capacity materials have been developed,conventional planar electrodes cannot achieve high active material loading and efficient ion/electron transport simultaneously.By contrast,three-dimensional(3D)structures have attracted increasing interest because of their capacity to enhance active material utilization,shorten ion and electron transport pathways,reduce interfacial impedance,and provide spatial accommodation for volume expansion.Additive manufacturing(AM)technology effectively fabricates energy-storage materials with 3D structures by accurately constructing complex 3D structures via layer-by-layer deposition.Recent studies have employed AM to construct ordered 3D electrodes that can optimize ion/electron transport,regulate electric field distribution,or improve the electrode-electrolyte interface,thereby contributing to enhanced kinetic performance and cycling stability.This review systematically summarizes the applications of several AM technologies in the fabrication of energy storage materials and analyzes their respective advantages and limitations.Subsequently,the advantages of AM technology in the fabrication of energy storage materials and several major optimization strategies are comprehensively discussed.Finally,the major challenges and potential applications of AM technology in energy storage material optimization are discussed.
基金supported by the Strategic Priority Research Program of Chinese Academy of Sciences(Grant No.XDB1040300)the National Natural Science Foundation of China(Grant No.52172258)。
文摘As the core determinant of lithium-ion battery performance,electrode materials play a crucial role in defining the battery's capacity,cycling stability,and durability.During charging and discharging,electrode materials undergo complex ion intercalation and deintercalation processes,accompanied by defect formation and structural evolution.However,the microscopic mechanisms underlying processes such as cation disordering,lattice oxygen loss,and stage structure formation are still not fully understood.To address these challenges,we have developed the Electrode Dynamic Ion Intercalation/Deintercalation Simulator(EDIS),a software platform designed to simulate the dynamic processes of ion intercalation and deintercalation in electrode materials.Leveraging high-precision machine learning potentials,EDIS can efficiently model structural evolution and lithium-ion diffusion behavior under various states of charge and discharge,achieving accuracy approaching that of quantum mechanical methods in relevant chemical spaces.The software supports quantitative analysis of how variations in lithium-ion concentration and distribution affect lithium-ion transport properties,enables evaluation of the impact of structural defects,and allows for tracking of both structural evolution and transport characteristics during continuous cycling.EDIS is versatile and can be extended to sodium-ion batteries and related systems.By enabling in-depth analysis of these microscopic processes,EDIS provides a robust theoretical tool for mechanistic studies and the rational design of high-performance electrode materials for next-generation lithium-ion batteries.
