A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-d...A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-dimensional cusp boundary from a two-dimensional X-ray image because the detected X-ray signals will be integrated along the line of sight.In this work,a global magnetohydrodynamic code was used to simulate the X-ray images and photon count images,assuming an interplanetary magnetic field with a pure Bz component.The assumption of an elliptic cusp boundary at a given altitude was used to trace the equatorward and poleward boundaries of the cusp from a simulated X-ray image.The average discrepancy was less than 0.1 RE.To reduce the influence of instrument effects and cosmic X-ray backgrounds,image denoising was considered before applying the method above to SXI photon count images.The cusp boundaries were reasonably reconstructed from the noisy X-ray image.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
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
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
The control of solute segregation at grain boundaries is of significance in engineering alloy properties.However,there is currently a lack of a physics-informed predictive model for estimating solute segre-gation ener...The control of solute segregation at grain boundaries is of significance in engineering alloy properties.However,there is currently a lack of a physics-informed predictive model for estimating solute segre-gation energies.Here we propose novel electronic descriptors for grain-boundary segregation based on the valence,electronegativity and size of solutes.By integrating the non-local coordination number of surfaces,we build a predictive analytic framework for evaluating the segregation energies across various solutes,grain-boundary structures,and segregation sites.This framework uncovers not only the coupling rule of solutes and matrices,but also the origin of solute-segregation determinants,which stems from the d-and sp-states hybridization in alloying.Our scheme establishes a novel picture for grain-boundary segregation and provides a useful tool for the design of advanced alloys.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
Detecting internal defects,particularly voids behind linings,is critical for ensuring the structural integrity of aging high-speed rail(HSR)tunnel networks.While ground-penetrating radar(GPR)is widely employed,systema...Detecting internal defects,particularly voids behind linings,is critical for ensuring the structural integrity of aging high-speed rail(HSR)tunnel networks.While ground-penetrating radar(GPR)is widely employed,systematic quantification of performance boundaries for air-coupled(A-CGPR)and ground-coupled(G-CGPR)systems within the complex electromagnetic environment of multilayer reinforced HSR tunnels remains limited.This study establishes physics-based quantitative performance limits for A-CGPR and G-CGPR through rigorously validated GPRMax finite-difference time-domain(FDTD)simulations and comprehensive field validation over a 300 m operational HSR tunnel section.Key performance metrics were quantified as functions of:(a)detection distance(A-CGPR:2.0–4.5 m;G-CGPR:≤0.1 m),(b)antenna frequency(A-CGPR:300 MHz;G-CGPR:400/900 MHz),(c)reinforcement configuration(unreinforced,single-layer,multilayer rebar),and(d)void geometry(axial length:0.1–1.0 m;radial depth:0.1–0.5 m).Key findings demonstrate:a.A-CGPR(300 MHz):Reliably detects axial voids≥0.3 m at distances≤3 m in minimally reinforced(single-layer rebar)linings(field R2=0.89).Performance degrades significantly at distances>3 m(>60%signal attenuation at 4.5 m)or under multilayer rebar interference,causing 25%–40%accuracy loss for voids<0.3 m.Optimal distance:2.0–2.5 m.b.G-CGPR(900 MHz):Achieves<5%size measurement error for axial voids≥0.1 m and radial voids≥0.2 m in unreinforced linings.Resolution degrades under multilayer reinforcement due to severe signal attenuation,increasing axial void detection error to 10%–20%for voids≥0.3 m and constraining radial size measurement.c.Synergistic Framework:A hybrid inspection protocol is proposed,integrating A-CGPR(20 km/h)for rapid large-area screening and targeted G-CGPR(3 km/h)for high-resolution verification of identified anomalies.This framework enhances NDT efficiency while reducing estimated lifecycle inspection costs by 34%compared to G-CGPR alone.This research provides the first physics-derived quantitative detection thresholds for A-CGPR and G-CGPR in multi-rebar HSR tunnels,validated through field-correlated simulations.Future work will focus on multi-frequency antenna arrays and deep learning algorithms to mitigate reinforcement interference.The established performance boundaries and hybrid framework offer critical guidance for optimizing tunnel lining inspection strategies in extensive HSR networks.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
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
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
The precipitation sequence of η（MgZn2） phase along low-angle grain boundaries in Al-Zn-Mg-Cu alloy was investigated by examining samples aged at 135 ℃ for various times from 5 min to 6 h. High resolution transmiss...The precipitation sequence of η（MgZn2） phase along low-angle grain boundaries in Al-Zn-Mg-Cu alloy was investigated by examining samples aged at 135 ℃ for various times from 5 min to 6 h. High resolution transmission electron microscopy （HRTEM） observations and energy dispersive X-ray spectroscopy （EDX） analysis indicate that the precipitation sequence of η phase along low-angle grain boundaries should be supersaturated solid solution （SSS）→vacancy-rich clusters （VRC）→GP Ⅱ zones→η＇→η. Based on the theory of non-equilibrium grain boundary segregation （NGS） and non-equilibrium grain boundary co-segregation （NGCS）, the excessive solute elements gradually segregate to the grain boundaries by the diffusion of the solute-vacancy complex during aging treatment. The grain boundary segregation plays an important role in the nucleation and growth of VRC, GP Ⅱ zones, η＇ phase as well as η phase.展开更多
The liquid metal embrittlement(LME)of advanced high-strength steels caused by zinc(Zn)has become a critical issue hindering their widespread application in the automotive industry.In this study,atomic-scale simulation...The liquid metal embrittlement(LME)of advanced high-strength steels caused by zinc(Zn)has become a critical issue hindering their widespread application in the automotive industry.In this study,atomic-scale simulations are carried out to elucidate the underlying cause of this phenomenon,namely grain boundary embrittlement due to Zn segregation at iron(Fe)grain boundaries.A machine learning moment tensor interatomic potential for the Fe-Zn binary system is developed,based on which the thermodynamics of grain boundary segregation is evaluated.The yielded segregation energy spectrum of Zn in BCC Fe reveals the quantitative relationship between the average segregation concentration of Zn at Fe grain boundaries and the macroscopic Zn content,temperature,and fraction of grain boundary atoms.It suggests a strong thermodynamic driving force for Zn segregation at the Fe grain boundaries,which correlates directly with the grain boundary energy:high-energy grain boundaries can accommodate a large amount of Zn atoms,while low-energy grain boundaries exhibit a certain degree of repulsion to Zn.Kinetically,Zn enters the grain boundaries more easily through diffusion than by penetration.Nonetheless,the grain boundary embrittlement caused by Zn penetration is more severe than that by Zn diffusion.The embrittlement effect generally increases linearly with the increase in Zn concentration at the grain boundary.Altogether,it suggests that the LME in steels induced by grain boundary segregation of Zn emerges as a combined consequence of Zn melt penetration and solid-state diffusion of Zn atoms.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
Grain boundaries(GBs)are often known as intergranular cracking sources in alloys at high temperatures,resulting in limited high-temperature strength and ductility.Here,we propose a GB-dual-carbide(de-noted as GB-DC)st...Grain boundaries(GBs)are often known as intergranular cracking sources in alloys at high temperatures,resulting in limited high-temperature strength and ductility.Here,we propose a GB-dual-carbide(de-noted as GB-DC)strengthening strategy and have developed a high-performance(NiCoFeCr)_(99)Nb0.5 C_(0.5) high-entropy alloy(HEA)with exceptional strength-ductility synergy at 1073 K.Chain-like coherent M23 C6 carbides have been successfully introduced at GBs and remain a cube parallel crystallographic orientation with the face-centered cubic(FCC)matrix during deformation.Nano-scale NbC particles are distributed alternatively between M_(23)C_(6) carbides and inhibit their coarsening.Both strength and duc-tility of the GB-DC HEA increase dramatically at strain rates ranging from 10^(−4) to 10^(−2) s^(−1) at 1073 K,compared with those of the single-phase NiCoFeCr HEA.Specifically,yield strength of 142 MPa,ultimate tensile strength of 283 MPa,and elongation of 34%were obtained,which are twice that of the refer-ence NiCoFeCr HEA(82 MPa,172 MPa,and 18%,respectively).EBSD investigations demonstrated that chain-like carbides enhance the GB cohesion at high temperature,and TEM analysis revealed that dislo-cations can go through the coherent phase boundaries(CPBs)and activate dipoles inner M_(23)C_(6) carbides,which weakened the stress concentration in GBs.This substantially reduces the critical stress for dislo-cation generation and transmission to a stress level lower than that required for intergranular fracture.Theoretical estimation suggests that carbides result in a much higher activation energy(∼510 kJ/mol)for GB sliding and a rather low interface energy(∼101 mJ/m^(2))compared with the GB energy(1000 mJ/m^(2)),which rationalizes the enhanced GB cohesion by carbides.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
Antiphase boundaries(APBs)are intrinsic defects in Fe_(3)O_(4) films that significantly alter their magnetic and transport properties compared to the bulk material due to antiferromagnetic interactions across these bo...Antiphase boundaries(APBs)are intrinsic defects in Fe_(3)O_(4) films that significantly alter their magnetic and transport properties compared to the bulk material due to antiferromagnetic interactions across these boundaries.In the study,we realize ferromagnetically coupled APBs in spinel ferrite by cation disorder and oxygen vacancy defects.Ni and Zn are introduced into Fe_(3)O_(4) to form Ni and NiZn ferrites and cation disorder is found in the two ferrites with Ni and Zn occupied in both octahedral and tetrahedral sites.This disorder transforms the ferrites from semiconductors into half-metals,characterized by a nonzero majority spin density of states(DOS)and a zero minority spin DOS at Fermi level.The stacking fault of the cations(Fe,Ni,Zn)at the APB induces excess negative charges,leading to the formation of oxygen vacancies as charge compensators.These vacancies disrupt the antiferromagnetic superexchange interactions,preventing spin polarization reversal across the APB,thereby enabling ferromagnetic coupling.This work provides insights into tuning the magnetic properties of APBs in spinel ferrites through defect engineering and cation manipulation.展开更多
Copper–carbon(Cu–C)composites have achieved great success in various fields owing to the greatly improved electrical properties compared to pure Cu,for example,a two-order-of-magnitude increase in current-carrying c...Copper–carbon(Cu–C)composites have achieved great success in various fields owing to the greatly improved electrical properties compared to pure Cu,for example,a two-order-of-magnitude increase in current-carrying capacity(ampacity).However,the frequent fuse failure caused by the poor thermal transport at the Cu–C heterointerface is still the main factor affecting the ampacity.In this study,we unconventionally leverage atomic distortion at Cu grain boundaries to alter the local atomic environments,thereby placing a premium on noticeable enhancement of phonon coupling at the Cu–C heterointerface.Without introducing any additional materials,interfacial thermal transport can be regulated solely through rational microstructural design.This new strategy effectively improves the interfacial thermal conductance by three-fold,reaching the state-of-the-art level in van der Waals(vdW)interface regulation.It can be an innovative strategy for interfacial thermal management by turning the detrimental grain boundaries into a beneficial thermal transport accelerator.展开更多
This paper investigates the temperature and loading rate dependencies of the critical stress intensity fac-tor(KIC)for dislocation nucleation at crack tips.We develop a new KIC formula with a generalized form by incor...This paper investigates the temperature and loading rate dependencies of the critical stress intensity fac-tor(KIC)for dislocation nucleation at crack tips.We develop a new KIC formula with a generalized form by incorporating the atomistic reaction pathway analysis into Transition State Theory(TST),which cap-tures the KIC of the first dislocation nucleation event at crack tips and its sensitivity to temperature and loading rates.We use this formula and atomistic modeling information to specifically calculate the KIC for quasi-two-dimensional crack tips located at various slant twin boundaries in nano-twinned TiAl al-loys across a wide range of temperatures and strain rates.Our findings reveal that twinning dislocation nucleation at the crack tip dominates crack propagation when twin boundaries(TBs)are tilted at 15.79°and 29.5°.Conversely,when TBs tilt at 45.29°,54.74°,and 70.53°,dislocation slip becomes the preferred mode.Additionally,at TB tilts of 29.5°and 70.53°,at higher temperatures above 800 K and typical exper-imental loading rates,both dislocation nucleation modes can be activated with nearly equal probability.This observation is particularly significant as it highlights scenarios that molecular dynamics simulations,due to their time scale limitations,cannot adequately explore.This insight underscores the importance of analyzing temperature and loading rate dependencies of the KIC to fully understand the competing mechanisms of dislocation nucleation and their impact on material behavior.展开更多
基金funded by the National Natural Science Foundation of China(NNSFC)under Grant Numbers 42322408,42188101,and 42441809Additional support was provided by the Climbing Program of the National Space Science Center(NSSC,Grant No.E4PD3005)as well as the Specialized Research Fund for State Key Laboratories of China.
文摘A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-dimensional cusp boundary from a two-dimensional X-ray image because the detected X-ray signals will be integrated along the line of sight.In this work,a global magnetohydrodynamic code was used to simulate the X-ray images and photon count images,assuming an interplanetary magnetic field with a pure Bz component.The assumption of an elliptic cusp boundary at a given altitude was used to trace the equatorward and poleward boundaries of the cusp from a simulated X-ray image.The average discrepancy was less than 0.1 RE.To reduce the influence of instrument effects and cosmic X-ray backgrounds,image denoising was considered before applying the method above to SXI photon count images.The cusp boundaries were reasonably reconstructed from the noisy X-ray image.
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).
基金support from the National Natural Science Foundation of China(Nos.22173034,11974128,52130101)the Opening Project of State Key Laboratory of High Performance Ceramics and Superfine Microstructure(No.SKL202206SIC)+2 种基金the Program of Innovative Research Team(in Science and Technology)in University of Jilin Province,the Program for JLU(Jilin University)Science and Technology Innovative Research Team(No.2017TD-09)the Fundamental Research Funds for the Central Universitiesthe computing resources of the High Performance Computing Center of Jilin University,China.
文摘The control of solute segregation at grain boundaries is of significance in engineering alloy properties.However,there is currently a lack of a physics-informed predictive model for estimating solute segre-gation energies.Here we propose novel electronic descriptors for grain-boundary segregation based on the valence,electronegativity and size of solutes.By integrating the non-local coordination number of surfaces,we build a predictive analytic framework for evaluating the segregation energies across various solutes,grain-boundary structures,and segregation sites.This framework uncovers not only the coupling rule of solutes and matrices,but also the origin of solute-segregation determinants,which stems from the d-and sp-states hybridization in alloying.Our scheme establishes a novel picture for grain-boundary segregation and provides a useful tool for the design of advanced alloys.
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.
基金funded by the Key Project of Science&Technology Research ofChina Academy of Railway Sciences,grant number 2023YJ022.
文摘Detecting internal defects,particularly voids behind linings,is critical for ensuring the structural integrity of aging high-speed rail(HSR)tunnel networks.While ground-penetrating radar(GPR)is widely employed,systematic quantification of performance boundaries for air-coupled(A-CGPR)and ground-coupled(G-CGPR)systems within the complex electromagnetic environment of multilayer reinforced HSR tunnels remains limited.This study establishes physics-based quantitative performance limits for A-CGPR and G-CGPR through rigorously validated GPRMax finite-difference time-domain(FDTD)simulations and comprehensive field validation over a 300 m operational HSR tunnel section.Key performance metrics were quantified as functions of:(a)detection distance(A-CGPR:2.0–4.5 m;G-CGPR:≤0.1 m),(b)antenna frequency(A-CGPR:300 MHz;G-CGPR:400/900 MHz),(c)reinforcement configuration(unreinforced,single-layer,multilayer rebar),and(d)void geometry(axial length:0.1–1.0 m;radial depth:0.1–0.5 m).Key findings demonstrate:a.A-CGPR(300 MHz):Reliably detects axial voids≥0.3 m at distances≤3 m in minimally reinforced(single-layer rebar)linings(field R2=0.89).Performance degrades significantly at distances>3 m(>60%signal attenuation at 4.5 m)or under multilayer rebar interference,causing 25%–40%accuracy loss for voids<0.3 m.Optimal distance:2.0–2.5 m.b.G-CGPR(900 MHz):Achieves<5%size measurement error for axial voids≥0.1 m and radial voids≥0.2 m in unreinforced linings.Resolution degrades under multilayer reinforcement due to severe signal attenuation,increasing axial void detection error to 10%–20%for voids≥0.3 m and constraining radial size measurement.c.Synergistic Framework:A hybrid inspection protocol is proposed,integrating A-CGPR(20 km/h)for rapid large-area screening and targeted G-CGPR(3 km/h)for high-resolution verification of identified anomalies.This framework enhances NDT efficiency while reducing estimated lifecycle inspection costs by 34%compared to G-CGPR alone.This research provides the first physics-derived quantitative detection thresholds for A-CGPR and G-CGPR in multi-rebar HSR tunnels,validated through field-correlated simulations.Future work will focus on multi-frequency antenna arrays and deep learning algorithms to mitigate reinforcement interference.The established performance boundaries and hybrid framework offer critical guidance for optimizing tunnel lining inspection strategies in extensive HSR networks.
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.
基金Project(51071122)supported by the National Natural Science Foundation of ChinaProject(B08040)supported by the Program of Introducing Talents of Discipline to Universities,China("111"Project)
文摘The precipitation sequence of η（MgZn2） phase along low-angle grain boundaries in Al-Zn-Mg-Cu alloy was investigated by examining samples aged at 135 ℃ for various times from 5 min to 6 h. High resolution transmission electron microscopy （HRTEM） observations and energy dispersive X-ray spectroscopy （EDX） analysis indicate that the precipitation sequence of η phase along low-angle grain boundaries should be supersaturated solid solution （SSS）→vacancy-rich clusters （VRC）→GP Ⅱ zones→η＇→η. Based on the theory of non-equilibrium grain boundary segregation （NGS） and non-equilibrium grain boundary co-segregation （NGCS）, the excessive solute elements gradually segregate to the grain boundaries by the diffusion of the solute-vacancy complex during aging treatment. The grain boundary segregation plays an important role in the nucleation and growth of VRC, GP Ⅱ zones, η＇ phase as well as η phase.
基金financially supported by the National Natural Science Foundation of China(No.52071204)Natural Science Foundation of Shanghai Municipal(No.22ZR1428700)SJTU Kunpeng&Ascend Center of Excellence,and MaGIC of Shanghai Jiao Tong University.
文摘The liquid metal embrittlement(LME)of advanced high-strength steels caused by zinc(Zn)has become a critical issue hindering their widespread application in the automotive industry.In this study,atomic-scale simulations are carried out to elucidate the underlying cause of this phenomenon,namely grain boundary embrittlement due to Zn segregation at iron(Fe)grain boundaries.A machine learning moment tensor interatomic potential for the Fe-Zn binary system is developed,based on which the thermodynamics of grain boundary segregation is evaluated.The yielded segregation energy spectrum of Zn in BCC Fe reveals the quantitative relationship between the average segregation concentration of Zn at Fe grain boundaries and the macroscopic Zn content,temperature,and fraction of grain boundary atoms.It suggests a strong thermodynamic driving force for Zn segregation at the Fe grain boundaries,which correlates directly with the grain boundary energy:high-energy grain boundaries can accommodate a large amount of Zn atoms,while low-energy grain boundaries exhibit a certain degree of repulsion to Zn.Kinetically,Zn enters the grain boundaries more easily through diffusion than by penetration.Nonetheless,the grain boundary embrittlement caused by Zn penetration is more severe than that by Zn diffusion.The embrittlement effect generally increases linearly with the increase in Zn concentration at the grain boundary.Altogether,it suggests that the LME in steels induced by grain boundary segregation of Zn emerges as a combined consequence of Zn melt penetration and solid-state diffusion of Zn atoms.
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sponsored by the fund of National Natural Sci-ence Foundation of China(Grant No.52371028 and 52271097)the State Key Laboratory of Solidification Processing in NPU(Grant No.SKLSP202401)the Fundamental Research Funds for the Central Universities,HUST(No.2023JYCXJJ016).
文摘Grain boundaries(GBs)are often known as intergranular cracking sources in alloys at high temperatures,resulting in limited high-temperature strength and ductility.Here,we propose a GB-dual-carbide(de-noted as GB-DC)strengthening strategy and have developed a high-performance(NiCoFeCr)_(99)Nb0.5 C_(0.5) high-entropy alloy(HEA)with exceptional strength-ductility synergy at 1073 K.Chain-like coherent M23 C6 carbides have been successfully introduced at GBs and remain a cube parallel crystallographic orientation with the face-centered cubic(FCC)matrix during deformation.Nano-scale NbC particles are distributed alternatively between M_(23)C_(6) carbides and inhibit their coarsening.Both strength and duc-tility of the GB-DC HEA increase dramatically at strain rates ranging from 10^(−4) to 10^(−2) s^(−1) at 1073 K,compared with those of the single-phase NiCoFeCr HEA.Specifically,yield strength of 142 MPa,ultimate tensile strength of 283 MPa,and elongation of 34%were obtained,which are twice that of the refer-ence NiCoFeCr HEA(82 MPa,172 MPa,and 18%,respectively).EBSD investigations demonstrated that chain-like carbides enhance the GB cohesion at high temperature,and TEM analysis revealed that dislo-cations can go through the coherent phase boundaries(CPBs)and activate dipoles inner M_(23)C_(6) carbides,which weakened the stress concentration in GBs.This substantially reduces the critical stress for dislo-cation generation and transmission to a stress level lower than that required for intergranular fracture.Theoretical estimation suggests that carbides result in a much higher activation energy(∼510 kJ/mol)for GB sliding and a rather low interface energy(∼101 mJ/m^(2))compared with the GB energy(1000 mJ/m^(2)),which rationalizes the enhanced GB cohesion by carbides.
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financially supported by the National Science Fund for Distinguished Young Scholars(No.52225312)the Na-tional Natural Science Foundation of China(Nos.11904068 and 52272292)the Zhejiang Provincial Natural Science Foundation(No.LY23A040009).
文摘Antiphase boundaries(APBs)are intrinsic defects in Fe_(3)O_(4) films that significantly alter their magnetic and transport properties compared to the bulk material due to antiferromagnetic interactions across these boundaries.In the study,we realize ferromagnetically coupled APBs in spinel ferrite by cation disorder and oxygen vacancy defects.Ni and Zn are introduced into Fe_(3)O_(4) to form Ni and NiZn ferrites and cation disorder is found in the two ferrites with Ni and Zn occupied in both octahedral and tetrahedral sites.This disorder transforms the ferrites from semiconductors into half-metals,characterized by a nonzero majority spin density of states(DOS)and a zero minority spin DOS at Fermi level.The stacking fault of the cations(Fe,Ni,Zn)at the APB induces excess negative charges,leading to the formation of oxygen vacancies as charge compensators.These vacancies disrupt the antiferromagnetic superexchange interactions,preventing spin polarization reversal across the APB,thereby enabling ferromagnetic coupling.This work provides insights into tuning the magnetic properties of APBs in spinel ferrites through defect engineering and cation manipulation.
基金financial support from the National Natural Science Foundation of China(Nos.52222602 and 52476052)Fundamental Research Funds for the Central Universities(FRF-TP-22-001C1 and FRF-EYIT-23-05).
文摘Copper–carbon(Cu–C)composites have achieved great success in various fields owing to the greatly improved electrical properties compared to pure Cu,for example,a two-order-of-magnitude increase in current-carrying capacity(ampacity).However,the frequent fuse failure caused by the poor thermal transport at the Cu–C heterointerface is still the main factor affecting the ampacity.In this study,we unconventionally leverage atomic distortion at Cu grain boundaries to alter the local atomic environments,thereby placing a premium on noticeable enhancement of phonon coupling at the Cu–C heterointerface.Without introducing any additional materials,interfacial thermal transport can be regulated solely through rational microstructural design.This new strategy effectively improves the interfacial thermal conductance by three-fold,reaching the state-of-the-art level in van der Waals(vdW)interface regulation.It can be an innovative strategy for interfacial thermal management by turning the detrimental grain boundaries into a beneficial thermal transport accelerator.
基金supported by the China Scholarship Council(Grant No.202007865002)the National Natural Science Foundation of China(Grant Nos.51865027,52065036,and 52065037)+2 种基金the Educational Unveiling Leadership Project of Gansu Province of China(Grant No.2021jyjbgs01)the support by JSPS KAKENHI(Grant No.JP23K20037)MEXT Programs(Grant Nos.JPMXP1122684766,JPMXP1020230325,and JPMXP1020230327).
文摘This paper investigates the temperature and loading rate dependencies of the critical stress intensity fac-tor(KIC)for dislocation nucleation at crack tips.We develop a new KIC formula with a generalized form by incorporating the atomistic reaction pathway analysis into Transition State Theory(TST),which cap-tures the KIC of the first dislocation nucleation event at crack tips and its sensitivity to temperature and loading rates.We use this formula and atomistic modeling information to specifically calculate the KIC for quasi-two-dimensional crack tips located at various slant twin boundaries in nano-twinned TiAl al-loys across a wide range of temperatures and strain rates.Our findings reveal that twinning dislocation nucleation at the crack tip dominates crack propagation when twin boundaries(TBs)are tilted at 15.79°and 29.5°.Conversely,when TBs tilt at 45.29°,54.74°,and 70.53°,dislocation slip becomes the preferred mode.Additionally,at TB tilts of 29.5°and 70.53°,at higher temperatures above 800 K and typical exper-imental loading rates,both dislocation nucleation modes can be activated with nearly equal probability.This observation is particularly significant as it highlights scenarios that molecular dynamics simulations,due to their time scale limitations,cannot adequately explore.This insight underscores the importance of analyzing temperature and loading rate dependencies of the KIC to fully understand the competing mechanisms of dislocation nucleation and their impact on material behavior.
