Low-angle grain boundaries(LAGBs)are one of the solidification defects in single-crystal nickel-based superalloys and are detrimental to the mechanical properties.The formation of LAGBs is related to dendrite deformat...Low-angle grain boundaries(LAGBs)are one of the solidification defects in single-crystal nickel-based superalloys and are detrimental to the mechanical properties.The formation of LAGBs is related to dendrite deformation,while the mechanism has not been fully understood at the mesoscale.In this work,a model coupling dendrite growth,thermal-solutal-fluid flow,thermal stress and flow-induced dendrite deformation via cellular automaton-finite volume method and finite element method is developed to study the formation of LAGBs in single crystal superalloys.Results reveal that the bending of dendrites is primarily attributed to the thermal-solutal convection-induced dendrite deformation.The mechanical stress of dendrite deformation develops and stabilises as solidification proceeds.As the width of the mushy zone gets stable,stresses are built up and then dendritic elastoplastic bending occurs at some thin primary dendrites with the wider inter-dendritic space.There are three characteristic zones of stress distribution along the solidification direction:(i)no stress concentration in the fully solidified regions;(ii)stress developing in the primary dendrite bridging region,and(iii)stress decrease in the inter-dendritic uncontacted zone.The stresses reach maximum near the initial dendrite bridging position.The lower temperature gradients,the finer primary dendritic trunks and sudden reductions in local dendritic trunk radius jointly promote the elastoplastic deformation of the dendrites.Corresponding measures are suggested to reduce LAGBs.展开更多
Solute atoms and precipitates significantly influence the mechanical properties of Mg alloys.Previous studies have mainly focused on the segregation behaviors of Mg alloys after annealing.In this study,we investigated...Solute atoms and precipitates significantly influence the mechanical properties of Mg alloys.Previous studies have mainly focused on the segregation behaviors of Mg alloys after annealing.In this study,we investigated the segregation behaviors of an Mg-RE alloy under deformation.We found that the enrichment of solute atoms occurred in{101^(-)1}compressive twin boundaries under compression at 298 K without any annealing in an Mg-RE alloy by scanning transmission electron microscopy and energy-dispersive X-ray analysis.The segregated solutes and precipitates impeded the twin growth,partially contributing to the formation of small-sized{101^(-)1}compressive twins.This research indicates the twin boundaries can be strengthened by segregated solutes and precipitates formed under deformation at room temperature.展开更多
Asymmetric tilt boundaries on conventional twin boundaries(TBs)are significant for understanding the role of twins on coordinating plastic deformation in many metallic alloys.However,the formation modes of many asymme...Asymmetric tilt boundaries on conventional twin boundaries(TBs)are significant for understanding the role of twins on coordinating plastic deformation in many metallic alloys.However,the formation modes of many asymmetric tilt boundaries are hard to be accounted for based on traditional theoretical models,and the corresponding solute segregation is complex.Herein,atomic structures of a specific asymmetric boundary on{1012}TBs were reveled using aberration-corrected high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM),molecular dynamics(MD)and density functional theory(DFT)simulations.Reaction between<a60>M dislocations and the{1012}TB can generate a~61°/25°asymmetric tilt boundary.The segregation of Gd and Zn atoms is closely related to the aggregateddislocations and the interfacial interstices of the asymmetric tilt boundary,which is energetically favorable in reducing the total system energy.展开更多
Due to the heterogeneity of rock masses and the variability of in situ stress,the traditional linear inversion method is insufficiently accurate to achieve high accuracy of the in situ stress field.To address this cha...Due to the heterogeneity of rock masses and the variability of in situ stress,the traditional linear inversion method is insufficiently accurate to achieve high accuracy of the in situ stress field.To address this challenge,nonlinear stress boundaries for a numerical model are determined through regression analysis of a series of nonlinear coefficient matrices,which are derived from the bubbling method.Considering the randomness and flexibility of the bubbling method,a parametric study is conducted to determine recommended ranges for these parameters,including the standard deviation(σb)of bubble radii,the non-uniform coefficient matrix number(λ)for nonlinear stress boundaries,and the number(m)and positions of in situ stress measurement points.A model case study provides a reference for the selection of these parameters.Additionally,when the nonlinear in situ stress inversion method is employed,stress distortion inevitably occurs near model boundaries,aligning with the Saint Venant's principle.Two strategies are proposed accordingly:employing a systematic reduction of nonlinear coefficients to achieve high inversion accuracy while minimizing significant stress distortion,and excluding regions with severe stress distortion near the model edges while utilizing the central part of the model for subsequent simulations.These two strategies have been successfully implemented in the nonlinear in situ stress inversion of the Xincheng Gold Mine and have achieved higher inversion accuracy than the linear method.Specifically,the linear and nonlinear inversion methods yield root mean square errors(RMSE)of 4.15 and 3.2,and inversion relative errors(δAve)of 22.08%and 17.55%,respectively.Therefore,the nonlinear inversion method outperforms the traditional multiple linear regression method,even in the presence of a systematic reduction in the nonlinear stress boundaries.展开更多
On February 8,2025,a remote area in the Caribbean Sea was rocked by a large M_(W)7.6(USGS,2025) earthquake,centered 209 km SSW of Georgetown,the capital of the Cayman Islands,and the largest city(population~41 000) of...On February 8,2025,a remote area in the Caribbean Sea was rocked by a large M_(W)7.6(USGS,2025) earthquake,centered 209 km SSW of Georgetown,the capital of the Cayman Islands,and the largest city(population~41 000) of the British Overseas Territories(Figure 1).The earthquake was significant due to its large magnitude,potential regional impact,and the possibility of generating a tsunami.展开更多
Shape control of nickel sulfide(NiS_(2))catalysts is beneficial for boosting their catalytic performances,which is vital to their practical application as a class of advanced non-noble electro-catalysts.However,precis...Shape control of nickel sulfide(NiS_(2))catalysts is beneficial for boosting their catalytic performances,which is vital to their practical application as a class of advanced non-noble electro-catalysts.However,precisely controlling the formation kinetics and fabricate ultrathin NiS_(2)nanostructures still remains challenge.Herein,we provide an injection rate-mediated method to fabricate ultrathin NiS_(2)nanocages(HNCs)with hierarchical walls,high-density lattice defects and abundant grain boundaries(GBs).Through mechanism analysis,we find the injection rate determines the concentration of S_(2)−in the steady state and thus control the growth pattern,leading to the formation of NiS_(2)HNCs at slow etching kinetics and NiCo PBA@NiS_(2)frames at fast etching kinetics,respectively.Benefiting from the ultrathin and hierarchical walls that minimize the mass transport restrictions,the high-density lattice defects and GBs that offer abundant unsaturated reaction sites,the NiS_(2)HNCs exhibit obviously enhanced electrocatalytic activity and stability toward OER,with overpotential of 255mV to reach 10mA/cm^(2)and a Tafel slope of 27.44mV/dec,surpassing the performances of NiCo PBA@NiS_(2)frames and commercial RuO_(2).展开更多
Copper(Cu)-based catalysts show significant potential for producing high value-added C_(2+)products in electrocatalytic CO_(2)/CO reduction reactions(CO(2)RR).However,the structural reconfiguration during operation po...Copper(Cu)-based catalysts show significant potential for producing high value-added C_(2+)products in electrocatalytic CO_(2)/CO reduction reactions(CO(2)RR).However,the structural reconfiguration during operation poses substantial challenges in identifying the intrinsic catalytic active site,especially under similar mass transport conditions.Herein,three typical and commercial Cu-based catalysts(Cu,CuO,and Cu_(2)O)are chosen as representatives to elucidate the structure-activity relationship of CORR in the membrane electrode assembly electrolyzer.Notably,only the Cu catalyst demonstrates the most suppression of hydrogen evolution reaction,thus achieving the highest FE of 86.7% for C_(2+)products at a current density of 500 mA cm^(-2) and maintaining a stable electrolysis over 110 h at a current of 200 mA cm^(-2).The influence of chemical valence state of Cu,electrochemical surface area,and local pH were firstly investigated and ruled out for the significant FE differences.Finally,based on the structure analysis from high resolution transmission electron microscope,OH-adsorption,in situ infrared spectroscopy and density functional theory calculations,it is suggested that the asymmetric C-C coupling(via ^(*)CHO and ^(*)CO)is the most probable reaction pathway for forming C_(2+)products,with Cu(100)-dominant grain boundaries(GBs)being the most favorable active sites.These findings provide deeper insights into the synergistic relationship between crystal facets and GBs in electrocatalytic systems.展开更多
At present,artificial intelligence(AI)technologies are deeply integrated into all scenarios of teaching,research,and student development in higher education.Intelligent teaching systems,research data processing tools,...At present,artificial intelligence(AI)technologies are deeply integrated into all scenarios of teaching,research,and student development in higher education.Intelligent teaching systems,research data processing tools,and AI platforms for student management are gradually becoming important aids to educational activities.This transformation disrupts the traditional framework of university teachers’responsibilities:fundamental tasks in knowledge transmission are diverted,repetitive work in research is replaced,and some managerial functions in student development are covered.Consequently,the boundaries of teachers’responsibilities are increasingly blurred,and the substitution effect has led to role anxiety and confusion about professional positioning.Clarifying the specific impact of AI on teachers’responsibilities,identifying the replaceable and irreplaceable domains,and exploring effective paths for fulfilling responsibilities are key to resolving teachers’role-identity crisis,promoting the implementation of“human-AI collaborative”education models,and ensuring the high-quality digital development of higher education.展开更多
Mechanism of discontinuous precipitation(DP) in AZ80 alloy was investigated by phase-orientation correlated characterization.The results show DPs nucleate by turning the original grain boundaries(GBs) as reaction fron...Mechanism of discontinuous precipitation(DP) in AZ80 alloy was investigated by phase-orientation correlated characterization.The results show DPs nucleate by turning the original grain boundaries(GBs) as reaction front(RF),and further driving the RF to realize their growth.The DPs regions retained the same orientations as their parent grains.The misorientation angle and rotation axis of RFs had strong influence on DPs nucleation.The low-angle GBs,twin boundaries(TBs) and the GBs with specific misorientation axis which are known as low energy and low mobility GBs can hardly initiate DPs.In addition,the TBs had a strong ability to inhibit the growth of DPs,but it should be noticed that the growth of DPs cannot be totally inhibited by TBs.DPs can engulf the twins when the growth direction is approximately parallel to the long axis of TBs.The inhibition behavior is related to the distribution of Al solute atoms near the RF,boundary interactions of the TBs and twin tips with the RF,and the morphology of the continuous precipitations within the twins.展开更多
In this study,DyF_(3)powder was sprayed onto the polar and side surfaces of the magnets to determine the anisotropic diffusion mechanism of Dy in the sintered Nd-Fe-B magnet.The coercivity and squareness of the magnet...In this study,DyF_(3)powder was sprayed onto the polar and side surfaces of the magnets to determine the anisotropic diffusion mechanism of Dy in the sintered Nd-Fe-B magnet.The coercivity and squareness of the magnet in which the diffusion of Dy is perpendicular to the c-axis(a-magnet)are lower than those of the magnet with the diffusion of Dy parallel to the c-axis(c-magnet).Compared with the c-magnet,the a-magnet has a longer Dy-enrichment region from the diffusion surface,where Dy is enriched in the 2:14:1 grain.By contrast,the Dy concentration in the grain boundaries beyond the Dy enrichment region is lower in the a-magnet.Moreover,the Dy shells beyond the Dy enrichment region in the a-magnet are distributed on the side surfaces of the 2:14:1 grains but not on the polar surfaces.Based on the micromagnetic simulation,the Dy shells on the polar surfaces of the grains are more effective in enhancing coercivity.According to first-principle calculations,Dy migrating through 001 into the Nd vacancy in the Nd_(2)Fe_(14)B crystal has a higher diffusion barrier,thus indicating that the lattice diffusion of Dy parallel to the c-axis is more difficult.展开更多
Historically seen as a limitation,grain boundaries(GBs)within polycrystalline metal halide perovskite(MHP)films are thought to impede charge transport,adversely impacting the efficiency of perovskite solar cells(PSCs)...Historically seen as a limitation,grain boundaries(GBs)within polycrystalline metal halide perovskite(MHP)films are thought to impede charge transport,adversely impacting the efficiency of perovskite solar cells(PSCs).In this study,we employ home-built confo-cal photoluminescence microscopy,combined with photocurrent detec-tion modules,to directly visualize the carrier dynamics in the MHP film of PSCs under real operating conditions.Our findings suggest that GBs in high-efficiency PSCs function as carrier transport channels,where a notable enhancement in photocurrent is observed.Femtosecond transient absorption and Kelvin probe force microscopy measurements further validate the existence of a built-in electric field in the vicinity of GBs,offering additional driving force for charge separation and establishing channels for swift carrier transport along the GBs,thereby expediting subsequent charge collection processes.This study elucidates the pivotal role of GBs in operational PSCs and provides valuable insights for the fabrication of high-efficiency PSCs.展开更多
The coupling of charge carrier and phonon transport limits the application of Ag_(2)Se as a low-toxic near-room-temperature thermoelectric material.Strategies that reduce the thermal conductivity via enhanc-ing the ph...The coupling of charge carrier and phonon transport limits the application of Ag_(2)Se as a low-toxic near-room-temperature thermoelectric material.Strategies that reduce the thermal conductivity via enhanc-ing the phonon scattering usually lead to reduced carrier mobility due to high grain boundary potential barrier.In this study,we developed a cell-membrane-mimic grain boundary engineering strategy for de-coupling the charge carrier and phonon scattering through decorating high-dielectric-constant rutile TiO_(2) at Ag_(2)Se grain boundaries to enable the charge carrier/phonon selective permeability.The nano-sized TiO_(2) with high dielectric permittivity can secure the charge carrier transport by shielding the interfacial Coulomb potential to lower the energy barrier of grain boundaries,rendering an enhanced power factor.Additionally,benefited from the enhanced phonon scattering by TiO_(2) nanoparticles,a significantly de-creased lattice thermal conductivity of~0.20 W m^(-1) K^(-1) and a high zT of~0.97 at 390 K are obtained in the Ag_(2)Se-based nanocomposites.This work demonstrates that such cell-membrane-mimic grain bound-ary engineering strategy may shed light on developing high-performance thermoelectric materials.展开更多
In most practical engineering applications,the translating belt wraps around two fixed wheels.The boundary conditions of the dynamic model are typically specified as simply supported or fixed boundaries.In this paper,...In most practical engineering applications,the translating belt wraps around two fixed wheels.The boundary conditions of the dynamic model are typically specified as simply supported or fixed boundaries.In this paper,non-homogeneous boundaries are introduced by the support wheels.Utilizing the translating belt as the mechanical prototype,the vibration characteristics of translating Timoshenko beam models with nonhomogeneous boundaries are investigated for the first time.The governing equations of Timoshenko beam are deduced by employing the generalized Hamilton's principle.The effects of parameters such as the radius of wheel and the length of belt on vibration characteristics including the equilibrium deformations,critical velocities,natural frequencies,and modes,are numerically calculated and analyzed.The numerical results indicate that the beam experiences deformation characterized by varying curvatures near the wheels.The radii of the wheels play a pivotal role in determining the change in trend of the relative difference between two beam models.Comparing the results unearths that the relative difference in equilibrium deformations between the two beam models is more pronounced with smaller-sized wheels.When the two wheels are of equal size,the critical velocities of both beam models reach their respective minima.In addition,the relative difference in natural frequencies between the two beam models exhibits nonlinear variation and can easily exceed 50%.Furthermore,as the axial velocities increase,the impact of non-homogeneous boundaries on modal shape of translating beam becomes more significant.Although dealing with non-homogeneous boundaries is challenging,beam models with non-homogeneous boundaries are more sensitive to parameters,and the differences between the two types of beams undergo some interesting variations under the influence of non-homogeneous boundaries.展开更多
Grain boundaries(GBs)in perovskite polycrystalline films are the most sensitive place for the formation of the defect states and the accumulation of impurities.Thus,abundant works have been carried out to explore thei...Grain boundaries(GBs)in perovskite polycrystalline films are the most sensitive place for the formation of the defect states and the accumulation of impurities.Thus,abundant works have been carried out to explore their properties and then try to solve the induced problems.Currently,two important issues remain.First,the role of GBs in charge carrier dynamics is unclear due to their component complexity/defect tolerance nature and the insufficiency in testing accuracy.Some works conclude that GBs are benign,while others consider GBs as carrier recombination centers.Things for sure are the deterioration in ion transport and perovskite decomposition.Second,to solve the known hazards of GBs,a lot of additives have been added to anchoring ions and passivate defects.But in most of those works,GBs and perovskite surfaces are treated in the same manner ignoring the fact that GB is essentially a homogeneous junction in a narrow and slender space,while surface is a heterogeneous junction with a stratified structure.In this review,we focus on works insight into GBs and additives for them.Additionally,we also discuss the prospects of the maturity of GB exploration toward upscaling the manufacture of perovskite photovoltaic and related optoelectronic devices.展开更多
The experimental results in previous studies have indicated that during the ductile fracture of pure metals,vacancies aggregate and form voids at grain boundaries.However,the physical mechanism underlying this phenome...The experimental results in previous studies have indicated that during the ductile fracture of pure metals,vacancies aggregate and form voids at grain boundaries.However,the physical mechanism underlying this phenomenon remains not fully understood.This study derives the equilibrium distribution of vacancies analytically by following thermodynamics and the micromechanics of crystal defects.This derivation suggests that vacancies cluster in regions under hydrostatic compression to minimize the elastic strain energy.Subsequently,a finite element model is developed for examining more general scenarios of interaction between vacancies and grain boundaries.This model is first verified and validated through comparison with some available analytical solutions,demonstrating consistency between finite element simulation results and analytical solutions within a specified numerical accuracy.A systematic numerical study is then conducted to investigate the mechanism that might govern the micromechanical interaction between grain boundaries and the profuse vacancies typically generated during plastic deformation.The simulation results indicate that the reduction in total elastic strain energy can indeed drive vacancies toward grain boundaries,potentially facilitating void nucleation in ductile fracture.展开更多
Grain boundary(GB),as a kind of lattice defect,widely exists in two-dimensional transition metal dichalcogenides(2D TMDs),which has complex and diverse influences on the physical/chemical properties of 2D TMDs.GBs are...Grain boundary(GB),as a kind of lattice defect,widely exists in two-dimensional transition metal dichalcogenides(2D TMDs),which has complex and diverse influences on the physical/chemical properties of 2D TMDs.GBs are universally considered to be a double-edged sword,although some electrical and mechanical properties of 2D TMDs would be adversely affected leading to the reduced overall quality,certain structure-oriented applications could be realized based on its unique properties.In this review,we first detailed the atomic structure characteristics of GBs and the corresponding techniques,then we systematically summarized the methods of introducing GBs into 2D TMDs.Next,we expounded unique electrical,mechanical,and chemical properties of the GBs in 2D TMDs and clarified its internal relationship with the atomic structure.Moreover,the application of GB structure in hydrogen evolution reaction(HER)is also discussed.In the end,we make a conclusion and put forward outlooks,hoping to further promote the basic research of GB and boost the wide application of 2D TMDs.展开更多
Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the...Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the formation energy,excess volume,dislocations and melting behaviors of GBs in CuFe alloys.It is illustrated that Fe solute affects the structural stability of Cu GBs substantially,the formation energy of GBs is reduced,but the thickness and melting point of GBs are increased,that is,the structural stability of Cu GBs is significantly improved owing to the Fe solutes.A strong scaling law exists between the formation energy,excess volume,thickness and melting point of GBs.Therefore,Fe solid solute plays an important role in the characteristics of GBs in bi-crystal Cu.展开更多
We study the incompressible limit of classical solutions to compressible ideal magneto-hydrodynamics in a domain with a flat boundary.The boundary condition is characteristic and the initial data is general.We first e...We study the incompressible limit of classical solutions to compressible ideal magneto-hydrodynamics in a domain with a flat boundary.The boundary condition is characteristic and the initial data is general.We first establish the uniform existence of classical solutions with respect to the Mach number.Then,we prove that the solutions converge to the solution of the incompressible MHD system.In particular,we obtain a stronger convergence result by using the dispersion of acoustic waves in the half space.展开更多
Bismuth-based catalysts are highly promising for the electrochemical carbon dioxide reduction reaction(eCO_(2)RR)to formate product.However,achieving high activity and selectivity towards formate and ensuring long-ter...Bismuth-based catalysts are highly promising for the electrochemical carbon dioxide reduction reaction(eCO_(2)RR)to formate product.However,achieving high activity and selectivity towards formate and ensuring long-term stability remains challenging.This work reports the oxygen plasma inducing strategy to construct the abundant grain boundaries of Bi/BiO_x on ultrathin two-dimensional Bi nanosheets.The oxygen plasma-treated Bi nanosheet(OP-Bi)exhibits over 90%Faradaic efficiency(FE)for formate at a wide potential range from-0.5 to-1.1 V,and maintains a great stability catalytic performance without significant decay over 30 h in flow cell.Moreover,membrane electrode assembly(MEA)device with OPBi as catalyst sustains the robust current density of 100 mA cm^(-2)over 50 h,maintaining a formate FE above 90%.In addition,rechargeable Zn-CO_(2)battery presents the peak power density of1.22 mW cm^(-2)with OP-Bi as bifunctional catalyst.The mechanism experiments demonstrate that the high-density grain boundaries of OP-Bi provide more exposed active sites,faster electron transfer capacity,and the stronger intrinsic activity of Bi atoms.In situ spectroscopy and theo retical calculations further elucidate that the unsaturated Bi coordination atoms between the grain boundaries can effectively activate CO_(2)molecules through elongating the C-O bond,and reducing the formation energy barrier of the key intermediate(^(*)OCOH),thereby enhancing the catalytic performance of eCO_(2)RR to formate product.展开更多
基金sponsored by the National Natural Science Foundation of China(Grant Nos.52074182,52304406 and U23A20612)the Natural Science Foundation of Shanghai(Grant Nos.22ZR1430700 and 23TS1401900)+1 种基金the National Science and Technology Major Project(No.2017-VII-0008-0102)Neng Ren acknowledges the Startup Fund for Young Faculty at SJTU.
文摘Low-angle grain boundaries(LAGBs)are one of the solidification defects in single-crystal nickel-based superalloys and are detrimental to the mechanical properties.The formation of LAGBs is related to dendrite deformation,while the mechanism has not been fully understood at the mesoscale.In this work,a model coupling dendrite growth,thermal-solutal-fluid flow,thermal stress and flow-induced dendrite deformation via cellular automaton-finite volume method and finite element method is developed to study the formation of LAGBs in single crystal superalloys.Results reveal that the bending of dendrites is primarily attributed to the thermal-solutal convection-induced dendrite deformation.The mechanical stress of dendrite deformation develops and stabilises as solidification proceeds.As the width of the mushy zone gets stable,stresses are built up and then dendritic elastoplastic bending occurs at some thin primary dendrites with the wider inter-dendritic space.There are three characteristic zones of stress distribution along the solidification direction:(i)no stress concentration in the fully solidified regions;(ii)stress developing in the primary dendrite bridging region,and(iii)stress decrease in the inter-dendritic uncontacted zone.The stresses reach maximum near the initial dendrite bridging position.The lower temperature gradients,the finer primary dendritic trunks and sudden reductions in local dendritic trunk radius jointly promote the elastoplastic deformation of the dendrites.Corresponding measures are suggested to reduce LAGBs.
基金support from Interdisciplinary Research Project for Young Teachers of USTB Fundamental Research Funds for the Central Universities(Grant no.FRF-IDRY-23-030).
文摘Solute atoms and precipitates significantly influence the mechanical properties of Mg alloys.Previous studies have mainly focused on the segregation behaviors of Mg alloys after annealing.In this study,we investigated the segregation behaviors of an Mg-RE alloy under deformation.We found that the enrichment of solute atoms occurred in{101^(-)1}compressive twin boundaries under compression at 298 K without any annealing in an Mg-RE alloy by scanning transmission electron microscopy and energy-dispersive X-ray analysis.The segregated solutes and precipitates impeded the twin growth,partially contributing to the formation of small-sized{101^(-)1}compressive twins.This research indicates the twin boundaries can be strengthened by segregated solutes and precipitates formed under deformation at room temperature.
基金supported by the Scientific and Technological Developing Scheme of Jilin Province under grants no.YDZJ202301ZYTS538the Chinese Academy of Sciences Youth Innovation Promotion Association under grants number 2023234+3 种基金the National Natural Science Foundation of China under grants number U21A20323the Scientific and Technological Developing Scheme of Jilin Province under grants no.SKL202302038the Major Scientific and Technological Projects of Hebei Province under grants No.23291001Zthe Scientific and Technology Project of Hanjiang District.
文摘Asymmetric tilt boundaries on conventional twin boundaries(TBs)are significant for understanding the role of twins on coordinating plastic deformation in many metallic alloys.However,the formation modes of many asymmetric tilt boundaries are hard to be accounted for based on traditional theoretical models,and the corresponding solute segregation is complex.Herein,atomic structures of a specific asymmetric boundary on{1012}TBs were reveled using aberration-corrected high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM),molecular dynamics(MD)and density functional theory(DFT)simulations.Reaction between<a60>M dislocations and the{1012}TB can generate a~61°/25°asymmetric tilt boundary.The segregation of Gd and Zn atoms is closely related to the aggregateddislocations and the interfacial interstices of the asymmetric tilt boundary,which is energetically favorable in reducing the total system energy.
基金funded by the National Key R&D Program of China(Grant No.2022YFC2903904)the National Natural Science Foundation of China(Grant Nos.51904057 and U1906208).
文摘Due to the heterogeneity of rock masses and the variability of in situ stress,the traditional linear inversion method is insufficiently accurate to achieve high accuracy of the in situ stress field.To address this challenge,nonlinear stress boundaries for a numerical model are determined through regression analysis of a series of nonlinear coefficient matrices,which are derived from the bubbling method.Considering the randomness and flexibility of the bubbling method,a parametric study is conducted to determine recommended ranges for these parameters,including the standard deviation(σb)of bubble radii,the non-uniform coefficient matrix number(λ)for nonlinear stress boundaries,and the number(m)and positions of in situ stress measurement points.A model case study provides a reference for the selection of these parameters.Additionally,when the nonlinear in situ stress inversion method is employed,stress distortion inevitably occurs near model boundaries,aligning with the Saint Venant's principle.Two strategies are proposed accordingly:employing a systematic reduction of nonlinear coefficients to achieve high inversion accuracy while minimizing significant stress distortion,and excluding regions with severe stress distortion near the model edges while utilizing the central part of the model for subsequent simulations.These two strategies have been successfully implemented in the nonlinear in situ stress inversion of the Xincheng Gold Mine and have achieved higher inversion accuracy than the linear method.Specifically,the linear and nonlinear inversion methods yield root mean square errors(RMSE)of 4.15 and 3.2,and inversion relative errors(δAve)of 22.08%and 17.55%,respectively.Therefore,the nonlinear inversion method outperforms the traditional multiple linear regression method,even in the presence of a systematic reduction in the nonlinear stress boundaries.
文摘On February 8,2025,a remote area in the Caribbean Sea was rocked by a large M_(W)7.6(USGS,2025) earthquake,centered 209 km SSW of Georgetown,the capital of the Cayman Islands,and the largest city(population~41 000) of the British Overseas Territories(Figure 1).The earthquake was significant due to its large magnitude,potential regional impact,and the possibility of generating a tsunami.
基金financially supported by National Natural Science Foundation of China (Nos. 21902078, 22279062, 22232004,22072067)the supports from National and Local Joint Engineering Research Center of Biomedical Functional Materialsa project sponsored by the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘Shape control of nickel sulfide(NiS_(2))catalysts is beneficial for boosting their catalytic performances,which is vital to their practical application as a class of advanced non-noble electro-catalysts.However,precisely controlling the formation kinetics and fabricate ultrathin NiS_(2)nanostructures still remains challenge.Herein,we provide an injection rate-mediated method to fabricate ultrathin NiS_(2)nanocages(HNCs)with hierarchical walls,high-density lattice defects and abundant grain boundaries(GBs).Through mechanism analysis,we find the injection rate determines the concentration of S_(2)−in the steady state and thus control the growth pattern,leading to the formation of NiS_(2)HNCs at slow etching kinetics and NiCo PBA@NiS_(2)frames at fast etching kinetics,respectively.Benefiting from the ultrathin and hierarchical walls that minimize the mass transport restrictions,the high-density lattice defects and GBs that offer abundant unsaturated reaction sites,the NiS_(2)HNCs exhibit obviously enhanced electrocatalytic activity and stability toward OER,with overpotential of 255mV to reach 10mA/cm^(2)and a Tafel slope of 27.44mV/dec,surpassing the performances of NiCo PBA@NiS_(2)frames and commercial RuO_(2).
文摘Copper(Cu)-based catalysts show significant potential for producing high value-added C_(2+)products in electrocatalytic CO_(2)/CO reduction reactions(CO(2)RR).However,the structural reconfiguration during operation poses substantial challenges in identifying the intrinsic catalytic active site,especially under similar mass transport conditions.Herein,three typical and commercial Cu-based catalysts(Cu,CuO,and Cu_(2)O)are chosen as representatives to elucidate the structure-activity relationship of CORR in the membrane electrode assembly electrolyzer.Notably,only the Cu catalyst demonstrates the most suppression of hydrogen evolution reaction,thus achieving the highest FE of 86.7% for C_(2+)products at a current density of 500 mA cm^(-2) and maintaining a stable electrolysis over 110 h at a current of 200 mA cm^(-2).The influence of chemical valence state of Cu,electrochemical surface area,and local pH were firstly investigated and ruled out for the significant FE differences.Finally,based on the structure analysis from high resolution transmission electron microscope,OH-adsorption,in situ infrared spectroscopy and density functional theory calculations,it is suggested that the asymmetric C-C coupling(via ^(*)CHO and ^(*)CO)is the most probable reaction pathway for forming C_(2+)products,with Cu(100)-dominant grain boundaries(GBs)being the most favorable active sites.These findings provide deeper insights into the synergistic relationship between crystal facets and GBs in electrocatalytic systems.
文摘At present,artificial intelligence(AI)technologies are deeply integrated into all scenarios of teaching,research,and student development in higher education.Intelligent teaching systems,research data processing tools,and AI platforms for student management are gradually becoming important aids to educational activities.This transformation disrupts the traditional framework of university teachers’responsibilities:fundamental tasks in knowledge transmission are diverted,repetitive work in research is replaced,and some managerial functions in student development are covered.Consequently,the boundaries of teachers’responsibilities are increasingly blurred,and the substitution effect has led to role anxiety and confusion about professional positioning.Clarifying the specific impact of AI on teachers’responsibilities,identifying the replaceable and irreplaceable domains,and exploring effective paths for fulfilling responsibilities are key to resolving teachers’role-identity crisis,promoting the implementation of“human-AI collaborative”education models,and ensuring the high-quality digital development of higher education.
基金supported by National Natural Science Foundation of China (52201107)Research Program of Chongqing Municipal Education Commission (KJQN202201151)Natural Science Foundation of Chongqing (CSTB2023NSCQ-MSX0067).
文摘Mechanism of discontinuous precipitation(DP) in AZ80 alloy was investigated by phase-orientation correlated characterization.The results show DPs nucleate by turning the original grain boundaries(GBs) as reaction front(RF),and further driving the RF to realize their growth.The DPs regions retained the same orientations as their parent grains.The misorientation angle and rotation axis of RFs had strong influence on DPs nucleation.The low-angle GBs,twin boundaries(TBs) and the GBs with specific misorientation axis which are known as low energy and low mobility GBs can hardly initiate DPs.In addition,the TBs had a strong ability to inhibit the growth of DPs,but it should be noticed that the growth of DPs cannot be totally inhibited by TBs.DPs can engulf the twins when the growth direction is approximately parallel to the long axis of TBs.The inhibition behavior is related to the distribution of Al solute atoms near the RF,boundary interactions of the TBs and twin tips with the RF,and the morphology of the continuous precipitations within the twins.
基金supported by the National Natural Science Foundation of China(52361033)National Key Research and Development Program(2022YFB3505400)+1 种基金the Main Discipline and Technology Leaders Training Plan of Jiangxi Province(2022BCJ23007)the Jiangxi Province Postgraduate Innovation Project(YC2022-S693)。
文摘In this study,DyF_(3)powder was sprayed onto the polar and side surfaces of the magnets to determine the anisotropic diffusion mechanism of Dy in the sintered Nd-Fe-B magnet.The coercivity and squareness of the magnet in which the diffusion of Dy is perpendicular to the c-axis(a-magnet)are lower than those of the magnet with the diffusion of Dy parallel to the c-axis(c-magnet).Compared with the c-magnet,the a-magnet has a longer Dy-enrichment region from the diffusion surface,where Dy is enriched in the 2:14:1 grain.By contrast,the Dy concentration in the grain boundaries beyond the Dy enrichment region is lower in the a-magnet.Moreover,the Dy shells beyond the Dy enrichment region in the a-magnet are distributed on the side surfaces of the 2:14:1 grains but not on the polar surfaces.Based on the micromagnetic simulation,the Dy shells on the polar surfaces of the grains are more effective in enhancing coercivity.According to first-principle calculations,Dy migrating through 001 into the Nd vacancy in the Nd_(2)Fe_(14)B crystal has a higher diffusion barrier,thus indicating that the lattice diffusion of Dy parallel to the c-axis is more difficult.
基金supported by the CAS Projects for Young Scientists in Basic Research(YSBR-007)the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB0970302)+4 种基金the National Natural Science Foundation of China(22233005,52272193)the DICP funding(I202315),the Natural Science Foundation of Liaoning(2024JH3/50100010)the LiaoNing Revitalization Talents Program(XLYC2203043)the Dalian Science and Technology Innovation Fund(2024RJ006)the Fundamental Research Funds for the Central Universities(DUT-22LAB602).
文摘Historically seen as a limitation,grain boundaries(GBs)within polycrystalline metal halide perovskite(MHP)films are thought to impede charge transport,adversely impacting the efficiency of perovskite solar cells(PSCs).In this study,we employ home-built confo-cal photoluminescence microscopy,combined with photocurrent detec-tion modules,to directly visualize the carrier dynamics in the MHP film of PSCs under real operating conditions.Our findings suggest that GBs in high-efficiency PSCs function as carrier transport channels,where a notable enhancement in photocurrent is observed.Femtosecond transient absorption and Kelvin probe force microscopy measurements further validate the existence of a built-in electric field in the vicinity of GBs,offering additional driving force for charge separation and establishing channels for swift carrier transport along the GBs,thereby expediting subsequent charge collection processes.This study elucidates the pivotal role of GBs in operational PSCs and provides valuable insights for the fabrication of high-efficiency PSCs.
基金National Natural Science Foundation of China(Nos.12074015,52002254,52272160)Sichuan Science and Technology Program(No.2023YFG0220)+3 种基金Fundamental Research Funds for the Central Universities(No.YJ202242)Research Funding from West China School/Hospital of Stomatology Sichuan University,(No.QDJF2022-2)State Key Laboratory for Mechanical Behavior of Materials(No.20232509)fund of the State Key Laboratory of Solidifica-tion Processing in NPU(No.SKLSP202315).
文摘The coupling of charge carrier and phonon transport limits the application of Ag_(2)Se as a low-toxic near-room-temperature thermoelectric material.Strategies that reduce the thermal conductivity via enhanc-ing the phonon scattering usually lead to reduced carrier mobility due to high grain boundary potential barrier.In this study,we developed a cell-membrane-mimic grain boundary engineering strategy for de-coupling the charge carrier and phonon scattering through decorating high-dielectric-constant rutile TiO_(2) at Ag_(2)Se grain boundaries to enable the charge carrier/phonon selective permeability.The nano-sized TiO_(2) with high dielectric permittivity can secure the charge carrier transport by shielding the interfacial Coulomb potential to lower the energy barrier of grain boundaries,rendering an enhanced power factor.Additionally,benefited from the enhanced phonon scattering by TiO_(2) nanoparticles,a significantly de-creased lattice thermal conductivity of~0.20 W m^(-1) K^(-1) and a high zT of~0.97 at 390 K are obtained in the Ag_(2)Se-based nanocomposites.This work demonstrates that such cell-membrane-mimic grain bound-ary engineering strategy may shed light on developing high-performance thermoelectric materials.
基金Project supported by the YEQISUN Joint Funds of the National Natural Science Foundation of China(No.U2341231)the National Natural Science Foundation of China(No.12172186)。
文摘In most practical engineering applications,the translating belt wraps around two fixed wheels.The boundary conditions of the dynamic model are typically specified as simply supported or fixed boundaries.In this paper,non-homogeneous boundaries are introduced by the support wheels.Utilizing the translating belt as the mechanical prototype,the vibration characteristics of translating Timoshenko beam models with nonhomogeneous boundaries are investigated for the first time.The governing equations of Timoshenko beam are deduced by employing the generalized Hamilton's principle.The effects of parameters such as the radius of wheel and the length of belt on vibration characteristics including the equilibrium deformations,critical velocities,natural frequencies,and modes,are numerically calculated and analyzed.The numerical results indicate that the beam experiences deformation characterized by varying curvatures near the wheels.The radii of the wheels play a pivotal role in determining the change in trend of the relative difference between two beam models.Comparing the results unearths that the relative difference in equilibrium deformations between the two beam models is more pronounced with smaller-sized wheels.When the two wheels are of equal size,the critical velocities of both beam models reach their respective minima.In addition,the relative difference in natural frequencies between the two beam models exhibits nonlinear variation and can easily exceed 50%.Furthermore,as the axial velocities increase,the impact of non-homogeneous boundaries on modal shape of translating beam becomes more significant.Although dealing with non-homogeneous boundaries is challenging,beam models with non-homogeneous boundaries are more sensitive to parameters,and the differences between the two types of beams undergo some interesting variations under the influence of non-homogeneous boundaries.
基金supported by the National Natural Science Foundation of China(Nos.52001066,21805039,22005054,21975044,21971038,and 22271046)the Natural Science Foundation of Fujian Province(No.2023J01500)young teacher training program of Fujian Normal University(SDPY2023013).
文摘Grain boundaries(GBs)in perovskite polycrystalline films are the most sensitive place for the formation of the defect states and the accumulation of impurities.Thus,abundant works have been carried out to explore their properties and then try to solve the induced problems.Currently,two important issues remain.First,the role of GBs in charge carrier dynamics is unclear due to their component complexity/defect tolerance nature and the insufficiency in testing accuracy.Some works conclude that GBs are benign,while others consider GBs as carrier recombination centers.Things for sure are the deterioration in ion transport and perovskite decomposition.Second,to solve the known hazards of GBs,a lot of additives have been added to anchoring ions and passivate defects.But in most of those works,GBs and perovskite surfaces are treated in the same manner ignoring the fact that GB is essentially a homogeneous junction in a narrow and slender space,while surface is a heterogeneous junction with a stratified structure.In this review,we focus on works insight into GBs and additives for them.Additionally,we also discuss the prospects of the maturity of GB exploration toward upscaling the manufacture of perovskite photovoltaic and related optoelectronic devices.
基金supported by the National Key Research and Development Program of China under Grant No.2023YFB3712401the National Natural Science Foundation of China under Grant Nos.12102254 and 12327802.
文摘The experimental results in previous studies have indicated that during the ductile fracture of pure metals,vacancies aggregate and form voids at grain boundaries.However,the physical mechanism underlying this phenomenon remains not fully understood.This study derives the equilibrium distribution of vacancies analytically by following thermodynamics and the micromechanics of crystal defects.This derivation suggests that vacancies cluster in regions under hydrostatic compression to minimize the elastic strain energy.Subsequently,a finite element model is developed for examining more general scenarios of interaction between vacancies and grain boundaries.This model is first verified and validated through comparison with some available analytical solutions,demonstrating consistency between finite element simulation results and analytical solutions within a specified numerical accuracy.A systematic numerical study is then conducted to investigate the mechanism that might govern the micromechanical interaction between grain boundaries and the profuse vacancies typically generated during plastic deformation.The simulation results indicate that the reduction in total elastic strain energy can indeed drive vacancies toward grain boundaries,potentially facilitating void nucleation in ductile fracture.
基金financially supported by the Natural Science Foundation of China(No.51902101)Natural Science Foundation of Jiangsu Province(No.BK20201381)+1 种基金Science Foundation of Nanjing University of Posts and Telecommunications(No.NY219144)the National College Student Innovation and Entrepreneurship Training Program(No.202210293171K).
文摘Grain boundary(GB),as a kind of lattice defect,widely exists in two-dimensional transition metal dichalcogenides(2D TMDs),which has complex and diverse influences on the physical/chemical properties of 2D TMDs.GBs are universally considered to be a double-edged sword,although some electrical and mechanical properties of 2D TMDs would be adversely affected leading to the reduced overall quality,certain structure-oriented applications could be realized based on its unique properties.In this review,we first detailed the atomic structure characteristics of GBs and the corresponding techniques,then we systematically summarized the methods of introducing GBs into 2D TMDs.Next,we expounded unique electrical,mechanical,and chemical properties of the GBs in 2D TMDs and clarified its internal relationship with the atomic structure.Moreover,the application of GB structure in hydrogen evolution reaction(HER)is also discussed.In the end,we make a conclusion and put forward outlooks,hoping to further promote the basic research of GB and boost the wide application of 2D TMDs.
基金supported by National Key Research and Development Program of China(No.2021YFB3400800)National Natural Science Foundation of China(Grant No.52271136,51901177)Natural Science Foundation of Shaanxi Province(No.2021JC-06,2019TD-020).
文摘Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the formation energy,excess volume,dislocations and melting behaviors of GBs in CuFe alloys.It is illustrated that Fe solute affects the structural stability of Cu GBs substantially,the formation energy of GBs is reduced,but the thickness and melting point of GBs are increased,that is,the structural stability of Cu GBs is significantly improved owing to the Fe solutes.A strong scaling law exists between the formation energy,excess volume,thickness and melting point of GBs.Therefore,Fe solid solute plays an important role in the characteristics of GBs in bi-crystal Cu.
文摘We study the incompressible limit of classical solutions to compressible ideal magneto-hydrodynamics in a domain with a flat boundary.The boundary condition is characteristic and the initial data is general.We first establish the uniform existence of classical solutions with respect to the Mach number.Then,we prove that the solutions converge to the solution of the incompressible MHD system.In particular,we obtain a stronger convergence result by using the dispersion of acoustic waves in the half space.
基金supported by the Hainan Province Science and Technology Special Fund(ZDYF2024SHFZ074,ZDYF2024SHFZ072,ZDYF2022SHFZ299)the National Natural Science Foundation of China(22109035,22202053,52164028,52274297,22309037)+4 种基金the Start-up Research Foundation of Hainan University(KYQD(ZR)-20008,20083,20084,21125,23035)the collaborative Innovation Center of Marine Science and Technology,Hainan University(XTCX2022HYC04,XTCX2022HYC05)the Innovative Research Projects for Graduate Students of Hainan Province(Qhyb2022-89,Qhyb2022-87,Qhys2022-174)the Scientific Research Program Funded by Shaanxi Provincial Education Department(Program No.23JK0439)the specific research fund of The Innovation Platform for Academicians of Hainan Province(YSPTZX202315)。
文摘Bismuth-based catalysts are highly promising for the electrochemical carbon dioxide reduction reaction(eCO_(2)RR)to formate product.However,achieving high activity and selectivity towards formate and ensuring long-term stability remains challenging.This work reports the oxygen plasma inducing strategy to construct the abundant grain boundaries of Bi/BiO_x on ultrathin two-dimensional Bi nanosheets.The oxygen plasma-treated Bi nanosheet(OP-Bi)exhibits over 90%Faradaic efficiency(FE)for formate at a wide potential range from-0.5 to-1.1 V,and maintains a great stability catalytic performance without significant decay over 30 h in flow cell.Moreover,membrane electrode assembly(MEA)device with OPBi as catalyst sustains the robust current density of 100 mA cm^(-2)over 50 h,maintaining a formate FE above 90%.In addition,rechargeable Zn-CO_(2)battery presents the peak power density of1.22 mW cm^(-2)with OP-Bi as bifunctional catalyst.The mechanism experiments demonstrate that the high-density grain boundaries of OP-Bi provide more exposed active sites,faster electron transfer capacity,and the stronger intrinsic activity of Bi atoms.In situ spectroscopy and theo retical calculations further elucidate that the unsaturated Bi coordination atoms between the grain boundaries can effectively activate CO_(2)molecules through elongating the C-O bond,and reducing the formation energy barrier of the key intermediate(^(*)OCOH),thereby enhancing the catalytic performance of eCO_(2)RR to formate product.
