Climate model prediction has been improved by enhancing model resolution as well as the implementation of sophisticated physical parameterization and refinement of data assimilation systems[section 6.1 in Wang et al.(...Climate model prediction has been improved by enhancing model resolution as well as the implementation of sophisticated physical parameterization and refinement of data assimilation systems[section 6.1 in Wang et al.(2025)].In relation to seasonal forecasting and climate projection in the East Asian summer monsoon season,proper simulation of the seasonal migration of rain bands by models is a challenging and limiting factor[section 7.1 in Wang et al.(2025)].展开更多
To investigate the influence of coarse aggregate parent rock properties on the elastic modulus of concrete,the mineralogical properties and stress-strain curves of granite and dolomite parent rocks,as well as the stre...To investigate the influence of coarse aggregate parent rock properties on the elastic modulus of concrete,the mineralogical properties and stress-strain curves of granite and dolomite parent rocks,as well as the strength and elastic modulus of mortar and concrete prepared with mechanism aggregates of the corresponding lithology,and the stress-strain curves of concrete were investigated.In this paper,a coarse aggregate and mortar matrix bonding assumption is proposed,and a prediction model for the elastic modulus of mortar is established by considering the lithology of the mechanism sand and the slurry components.An equivalent coarse aggregate elastic modulus model was established by considering factors such as coarse aggregate particle size,volume fraction,and mortar thickness between coarse aggregates.Based on the elastic modulus of the equivalent coarse aggregate and the remaining mortar,a prediction model for the elastic modulus of the two and three components of concrete in series and then in parallel was established,and the predicted values differed from the measured values within 10%.It is proposed that the coarse aggregate elastic modulus in highstrength concrete is the most critical factor affecting the elastic modulus of concrete,and as the coarse aggregate elastic modulus increases by 27.7%,the concrete elastic modulus increases by 19.5%.展开更多
Deformation prediction for extra-high arch dams is highly important for ensuring their safe operation.To address the challenges of complex monitoring data,the uneven spatial distribution of deformation,and the constru...Deformation prediction for extra-high arch dams is highly important for ensuring their safe operation.To address the challenges of complex monitoring data,the uneven spatial distribution of deformation,and the construction and optimization of a prediction model for deformation prediction,a multipoint ultrahigh arch dam deformation prediction model,namely,the CEEMDAN-KPCA-GSWOA-KELM,which is based on a clustering partition,is pro-posed.First,the monitoring data are preprocessed via variational mode decomposition(VMD)and wavelet denoising(WT),which effectively filters out noise and improves the signal-to-noise ratio of the data,providing high-quality input data for subsequent prediction models.Second,scientific cluster partitioning is performed via the K-means++algorithm to precisely capture the spatial distribution characteristics of extra-high arch dams and ensure the consistency of deformation trends at measurement points within each partition.Finally,CEEMDAN is used to separate monitoring data,predict and analyze each component,combine the KPCA(Kernel Principal Component Analysis)and the KELM(Kernel Extreme Learning Machine)optimized by the GSWOA(Global Search Whale Optimization Algorithm),integrate the predictions of each component via reconstruction methods,and precisely predict the overall trend of ultrahigh arch dam deformation.An extra high arch dam project is taken as an example and validated via a comparative analysis of multiple models.The results show that the multipoint deformation prediction model in this paper can combine data from different measurement points,achieve a comprehensive,precise prediction of the deformation situation of extra high arch dams,and provide strong technical support for safe operation.展开更多
In this study,copper extraction from low-grade oxide-sulfide ores was investigated using a leaching method combined with response surface methodology(RSM)to optimize operational conditions and assess leaching kinetics...In this study,copper extraction from low-grade oxide-sulfide ores was investigated using a leaching method combined with response surface methodology(RSM)to optimize operational conditions and assess leaching kinetics.Given copper's extensive industrial applications,sustainable recovery from low-grade ores is critical.Five key parameters-acid concentration,leaching time,particle size,temperature,and solids percentage-were identified as major influences on copper recovery.The results revealed that leaching time and solids percentage,along with interactions between temperature-time and temperature-solids percentage,had the most significant effects.Optimal conditions for 80% copper recovery while minimizing iron recovery below 3% included an acid concentration of 1.21 mol L^(-1),a leaching time of 108 min,a particle size of 438μm,a temperature of 45℃,and a solids percentage of 18.2%.Leaching kinetics were analyzed using shrinking core models,with the Dickinson model best describing the process,showing an activation energy of 32.63 kJ mol^(-1),indicative of mixed diffusion and chemical reaction control.The final kinetic model effectively predicted the influence of key parameters.These findings highlight the importance of optimizing process variables and selecting suitable kinetic models to enhance extraction efficiency,reduce costs,and improve sustainability in copper recovery.展开更多
Accurate parameter extraction of photovoltaic(PV)models plays a critical role in enabling precise performance prediction,optimal system sizing,and effective operational control under diverse environmental conditions.W...Accurate parameter extraction of photovoltaic(PV)models plays a critical role in enabling precise performance prediction,optimal system sizing,and effective operational control under diverse environmental conditions.While a wide range of metaheuristic optimisation techniques have been applied to this problem,many existing methods are hindered by slow convergence rates,susceptibility to premature stagnation,and reduced accuracy when applied to complex multi-diode PV configurations.These limitations can lead to suboptimal modelling,reducing the efficiency of PV system design and operation.In this work,we propose an enhanced hybrid optimisation approach,the modified Spider Wasp Optimization(mSWO)with Opposition-Based Learning algorithm,which integrates the exploration and exploitation capabilities of the Spider Wasp Optimization(SWO)metaheuristic with the diversityenhancing mechanism of Opposition-Based Learning(OBL).The hybridisation is designed to dynamically expand the search space coverage,avoid premature convergence,and improve both convergence speed and precision in highdimensional optimisation tasks.The mSWO algorithm is applied to three well-established PV configurations:the single diode model(SDM),the double diode model(DDM),and the triple diode model(TDM).Real experimental current-voltage(I-V)datasets from a commercial PV module under standard test conditions(STC)are used for evaluation.Comparative analysis is conducted against eighteen advanced metaheuristic algorithms,including BSDE,RLGBO,GWOCS,MFO,EO,TSA,and SCA.Performance metrics include minimum,mean,and maximum root mean square error(RMSE),standard deviation(SD),and convergence behaviour over 30 independent runs.The results reveal that mSWO consistently delivers superior accuracy and robustness across all PV models,achieving the lowest RMSE values of 0.000986022(SDM),0.000982884(DDM),and 0.000982529(TDM),with minimal SD values,indicating remarkable repeatability.Convergence analyses further show that mSWO reaches optimal solutions more rapidly and with fewer oscillations than all competing methods,with the performance gap widening as model complexity increases.These findings demonstrate that mSWO provides a scalable,computationally efficient,and highly reliable framework for PV parameter extraction.Its adaptability to models of growing complexity suggests strong potential for broader applications in renewable energy systems,including performance monitoring,fault detection,and intelligent control,thereby contributing to the optimisation of next-generation solar energy solutions.展开更多
Deep rock engineering is affected by coupled thermo-hydro-mechanical(THM)-dynamic fields,necessitating the elucidation of the dynamic mechanical behavior and failure mechanisms.This study utilized a Multi-field Couple...Deep rock engineering is affected by coupled thermo-hydro-mechanical(THM)-dynamic fields,necessitating the elucidation of the dynamic mechanical behavior and failure mechanisms.This study utilized a Multi-field Coupled Controlled Split Hopkinson Pressure Bar(MCC-SHPB)system to elucidate the cross-scale dynamic responses of rocks and the boundaries of failure modes under THM coupling.Impact tests were conducted on green sandstone under coupled conditions of temperature(25℃-80℃),confining pressure(0-15 MPa),and seepage water pressure(0-15 MPa).Scanning electron microscopy(SEM)microstructural characterization and COMSOL Multiphysics numerical simulations were conducted,and a dynamic constitutive theoretical framework and failure-prediction methodology were established.We investigated the impact toughness index(I_(t)),dynamic modulus(E_(d)),dynamic triaxial compressive strength(TCS_(d)),fragmentation degree(W),and failure modes of green sandstone under thermo-confining pressure-seepage-impact loading conditions.The key findings reveal that the(I_(t))reflects different energy regulation mechanisms across different confining pressure regimes.Thermal-microcrack interactions dominate at low pressure,and energy absorption prevails at high pressure.A triphasic dynamic modulus model captures stiffness evolution under energy-driven conditions,revealing cross-scale crack nucleation-propagation and fragment reorganization.The TCSd inflection point signifies energy dissipation shifts,causing nonlinear skeleton bearing-capacity degradation.A critical criterion based on the W was established to distinguish between the two failure modes and predict the unstable failure initiation.Numerical simulations were used to elucidate the effects of inertia-dominated crack propagation and stress wave interference,validating the critical criterion and the predictive accuracy of the theoretical model during cross-scale failure.This study provides a theoretical foundation for assessing the dynamic stability of rock masses subjected to multi-field coupling during deep resource exploitation.展开更多
Unsteady aerodynamic characteristics at high angles of attack are of great importance to the design and development of advanced fighter aircraft, which are characterized by post-stall maneuverability with multiple Deg...Unsteady aerodynamic characteristics at high angles of attack are of great importance to the design and development of advanced fighter aircraft, which are characterized by post-stall maneuverability with multiple Degrees-of-Freedom(multi-DOF) and complex flow field structure.In this paper, a special kind of cable-driven parallel mechanism is firstly utilized as a new suspension method to conduct unsteady dynamic wind tunnel tests at high angles of attack, thereby providing experimental aerodynamic data. These tests include a wide range of multi-DOF coupled oscillatory motions with various amplitudes and frequencies. Then, for aerodynamic modeling and analysis, a novel data-driven Feature-Level Attention Recurrent neural network(FLAR) is proposed. This model incorporates a specially designed feature-level attention module that focuses on the state variables affecting the aerodynamic coefficients, thereby enhancing the physical interpretability of the aerodynamic model. Subsequently, spin maneuver simulations, using a mathematical model as the baseline, are conducted to validate the effectiveness of the FLAR. Finally, the results on wind tunnel data reveal that the FLAR accurately predicts aerodynamic coefficients, and observations through the visualization of attention scores identify the key state variables that affect the aerodynamic coefficients. It is concluded that the proposed FLAR enhances the interpretability of the aerodynamic model while achieving good prediction accuracy and generalization capability for multi-DOF coupling motion at high angles of attack.展开更多
To adapt to the uncertainty of new energy,increase new energy consumption,and reduce carbon emissions,a high-voltage distribution network energy storage planning model based on robustness-oriented planning and distrib...To adapt to the uncertainty of new energy,increase new energy consumption,and reduce carbon emissions,a high-voltage distribution network energy storage planning model based on robustness-oriented planning and distributed new energy consumption is proposed.Firstly,the spatio-temporal correlation of large-scale wind-photovoltaic energy is modeled based on the Vine Copula model,and the spatial correlation of the generated wind-photovoltaic power generation is corrected to get the spatio-temporal correlation of wind-photovoltaic power generation scenarios.Finally,considering the subsequent development of new energy on demand for high-voltage distribution network peaking margin and the economy of the system peaking,we propose the optimization model of high-voltage distribution network energy storage plant siting and capacity setting for source-storage cooperative peaking.The simulation results show that the proposed energy storage plant planning method can effectively alleviate the branch circuit blockage,promote new energy consumption,reduce the burden of the main grid peak shifting,and leave sufficient peak shifting margin for the subsequent development of a new energy distribution network while ensuring the economy.展开更多
As a key node of modern transportation network,the informationization management of road tunnels is crucial to ensure the operation safety and traffic efficiency.However,the existing tunnel vehicle modeling methods ge...As a key node of modern transportation network,the informationization management of road tunnels is crucial to ensure the operation safety and traffic efficiency.However,the existing tunnel vehicle modeling methods generally have problems such as insufficient 3D scene description capability and low dynamic update efficiency,which are difficult to meet the demand of real-time accurate management.For this reason,this paper proposes a vehicle twin modeling method for road tunnels.This approach starts from the actual management needs,and supports multi-level dynamic modeling from vehicle type,size to color by constructing a vehicle model library that can be flexibly invoked;at the same time,semantic constraint rules with geometric layout,behavioral attributes,and spatial relationships are designed to ensure that the virtual model matches with the real model with a high degree of similarity;ultimately,the prototype system is constructed and the case region is selected for the case study,and the dynamic vehicle status in the tunnel is realized by integrating real-time monitoring data with semantic constraints for precise virtual-real mapping.Finally,the prototype system is constructed and case experiments are conducted in selected case areas,which are combined with real-time monitoring data to realize dynamic updating and three-dimensional visualization of vehicle states in tunnels.The experiments show that the proposed method can run smoothly with an average rendering efficiency of 17.70 ms while guaranteeing the modeling accuracy(composite similarity of 0.867),which significantly improves the real-time and intuitive tunnel management.The research results provide reliable technical support for intelligent operation and emergency response of road tunnels,and offer new ideas for digital twin modeling of complex scenes.展开更多
In this paper,the small-signal modeling of the Indium Phosphide High Electron Mobility Transistor(InP HEMT)based on the Transformer neural network model is investigated.The AC S-parameters of the HEMT device are train...In this paper,the small-signal modeling of the Indium Phosphide High Electron Mobility Transistor(InP HEMT)based on the Transformer neural network model is investigated.The AC S-parameters of the HEMT device are trained and validated using the Transformer model.In the proposed model,the eight-layer transformer encoders are connected in series and the encoder layer of each Transformer consists of the multi-head attention layer and the feed-forward neural network layer.The experimental results show that the measured and modeled S-parameters of the HEMT device match well in the frequency range of 0.5-40 GHz,with the errors versus frequency less than 1%.Compared with other models,good accuracy can be achieved to verify the effectiveness of the proposed model.展开更多
To examine the similarities and differences in the evolution of cavity,wetting and dynamics of a highspeed,oblique water-entry projectile with different positive angles of attack,a comparative analysis has been conduc...To examine the similarities and differences in the evolution of cavity,wetting and dynamics of a highspeed,oblique water-entry projectile with different positive angles of attack,a comparative analysis has been conducted based on the numerical results of two mathematical models,the rigid-body model and fluid-structure interaction model.In addition,the applicable scope of the above two methods,and the structural response characteristics of the projectile have also been investigated.Our results demonstrate that:(1) The impact loads and angular motion of the projectile of the rigid-body method are more likely to exhibit periodic variations due to the periodic tail slap,its range of positive angles of attack is about α<2°.(2) When the projectile undergone significant wetting,a strong coupling effect is observed among wetting,structural deformation,and projectile motion.With the applied projectile shape,it is observed that,when the projectile bends,the final wetting position is that of Part B(cylinder of body).With the occu rrence of this phenomenon,the projectile ballistics beco me completely unstable.(3) The force exerted on the lower surface of the projectile induced by wetting is the primary reason of the destabilization of the projectile traj ectory and structu ral deformation failure.Bending deformation is most likely to appear at the junction of Part C(cone of body) and Part D(tail).The safe angles of attack of the projectile stability are found to be about α≤2°.展开更多
The performance of welded Ni-based superalloys at high temperatures is essential to be evaluated due to their particular service environment for aero-engines and high-speed aircrafts.The tensile properties and related...The performance of welded Ni-based superalloys at high temperatures is essential to be evaluated due to their particular service environment for aero-engines and high-speed aircrafts.The tensile properties and related microstructural evolutions such as the carbide precipitate and grain of a laser-welded Ni-based alloy were experimentally and numerically investigated at different temperatures(20,300,500,800℃).The results show that at room temperature,the strength of the Base Material(BM)was slightly smaller,with a difference of less than 1%,than the Welded Material(WM),which can be attributed to the more uniformly distributed needle-shaped carbide precipitates in the WM than those nonuniformly coarser spherical ones in the BM.While at 300℃ and 500℃,the strength of WM decreased more obviously compared with that of BM due to the more apparent growth of grain:13.52%loss in yield strength in WM alloys as compared with BM alloys at 300℃,and 16.57% at 500℃.At 800℃,the strength of BM and WM both decreased to a similar level due to Dynamic Recrystallization(DRX).However,a much higher elongation was observed for the BM than WM(less than 50%of BM),which can be attributed to the enhanced dislocation accumulation capability of the large spherical carbides along grain boundaries on the fracture surface in BM.Furthermore,a unified model considering the welding effects on both microstructures(dislocation,carbides,and grain)and mechanical properties evolutions at different temperatures was developed and validated.Based on this model,the key temperature ranges(20–600℃)where apparent weakening of strength and uniform plasticity occurs for welded structures were identified,providing a direct guidance for potential structure and process design.展开更多
With the continuous improvement of signal processing accuracy requirements in modern electronic systems,the demand for high-precision analog-to-digital converters(ADCs)is increasing.Sigma-Delta modulator,as the most i...With the continuous improvement of signal processing accuracy requirements in modern electronic systems,the demand for high-precision analog-to-digital converters(ADCs)is increasing.Sigma-Delta modulator,as the most important component of high-precision ADC,is widely used in high-quality audio,high-precision instrument measurement,and other fields due to its advantages of high precision,strong noise resistance,and low hardware cost.This article designs a discrete structure third-order four-bit high-precision Sigma-Delta modulator through modeling,with an oversampling rate set to 512.Under ideal conditions,the simulation results show that the SDNR reaches 152.7db and the ENOB is 25.24bits.After introducing non-ideal noise,the system performance has decreased.The simulation results show that the SDNR is as high as 124.5db and the ENOB is 20.39bits.This indicates that the design can achieve high-precision conversion and provide assistance for further research in the future.展开更多
In the context of the“Two New”initiatives,high school mathematics instruction still grapples with three interlocking problems:knowledge fragmentation,limited cultivation of higher-order thinking,and weak alignment a...In the context of the“Two New”initiatives,high school mathematics instruction still grapples with three interlocking problems:knowledge fragmentation,limited cultivation of higher-order thinking,and weak alignment among teaching,learning,and assessment.To counter these challenges,we propose an Inquiry-Construction Double-Helix model that uses a domain-specific knowledge graph as its cognitive spine.The model interweaves two mutually reinforcing strands-student-driven inquiry and systematic knowledge construction-into a double-helix trajectory analogous to DNA replication.The Inquiry Strand is launched by authentic,situation-based tasks that shepherd students through the complete cycle:question→hypothesis→verification→reflection.The Construction Strand simultaneously externalizes,restructures,and internalizes core disciplinary concepts via visual,hierarchical knowledge graphs.Within the flow of a lesson,the two strands alternately dominate and scaffold each other,securing the co-development of conceptual understanding,procedural fluency,and mathematical literacy.Empirical evidence demonstrates that this model significantly enhances students’systematic knowledge integration,problem-solving transfer ability,and core mathematical competencies,offering a replicable and operable teaching paradigm and practical pathway for deepening high school mathematics classroom reform.展开更多
Metallic glasses(MGs)exhibit exceptional mechanical properties,but their application is often limited by brittleness.At elevated temperatures near the glass transition(T_(g)),they undergo homogeneous viscoplastic defo...Metallic glasses(MGs)exhibit exceptional mechanical properties,but their application is often limited by brittleness.At elevated temperatures near the glass transition(T_(g)),they undergo homogeneous viscoplastic deformation,a regime commonly described using free volume(FV)theory.Despite its prevalence,the quantitative accuracy and applicability of FV models,particularly for transient behaviors,remain under investigation.This study examines the homogeneous rheology of a LaCeYNiAl high-entropy MG(HEMG)between 475 K and 490 K,and critically assesses the relevance of two prominent FV model formulations.Experimental characterization includes dynamic mechanical analysis and uniaxial tensile tests across various strain rates.The tensile data are subsequently analyzed using two elasto-viscoplastic constitutive frameworks incorporating distinct FV evolution kinetics:Spaepen's original formulation(model 1),and the bimolecular annihilation kinetics proposed by Van den Beukel/Sietsma(model 2).Our analysis reveals that model 1,when applied to steady-state flow,yields physically inconsistent negative parameters,calling its validity for homogeneous deformation into question.Model 2 demonstrates better qualitative agreement with the experimental stress–strain curves but still fails to accurately reproduce the stress overshoot features.Moreover,fitting model 2 requires unphysically low Young's modulus values and produces unusual negative apparent activation energies for key kinetic parameters,suggesting limitations in the model structure(e.g.,neglecting explicit viscoelasticity)or possibly unique behavior in HEMGs.These findings highlight significant shortcomings of standard FV models in quantitatively capturing the homogeneous deformation of this HEMG,particularly its transient characteristics,and underscore the need for more refined constitutive descriptions.展开更多
This paper proposes a modification of the Forrestal-Warren perforation model aimed at extending its applicability range to intermediately-thick high-hardness armor steel plates.When impacted by armorpiercing projectil...This paper proposes a modification of the Forrestal-Warren perforation model aimed at extending its applicability range to intermediately-thick high-hardness armor steel plates.When impacted by armorpiercing projectiles,these plates tend to fail through adiabatic shear plugging which significantly reduces their ballistic resistance.To address this effect,an approach for determining effective thickness was defined and incorporated into the predictive model.Ballistic impact tests were performed to assess the modification's validity,in which ARMOX 500T steel plates were subjected to perpendicular impacts from 7.62×39 mm steel-cored rounds under various velocities.Frequent target failure by soft plugging was observed,as well as the brittle shatter of the hard steel core.Key properties of the recovered plugs including their mass,length and diameter were measured and reported along with the projectiles'residual velocities.Additionally,independent data from the open literature were included in the analysis for further validation.The original Forrestal-Warren model and the novel effective thickness modification were then used to establish the relationship between impact and residual velocities,as well as to determine the ballistic limit velocity.The comparison revealed that the proposed approach significantly improves the model's accuracy,showing a strong correlation with experimental data and reducing deviations to within a few percent.This enhancement highlights the potential of the effective thickness term,which could also be applied to other predictive models to extend their applicability range.Further exploration into other armor steels and impact conditions is recommended to assess the method's versatility.展开更多
This study investigated the effectiveness of the BOPPPS teaching model in improving English reading skills among junior high school students in Fujian Province,China.Using a quasi-experimental design,102 ninth-grade s...This study investigated the effectiveness of the BOPPPS teaching model in improving English reading skills among junior high school students in Fujian Province,China.Using a quasi-experimental design,102 ninth-grade students from two classes participated:an experimental group(n=51)taught with BOPPPS for 12 weeks(12 sessions)and a control group(*n=51)receiving traditional instruction.The A2 Key for Schools test measured reading ability pre-and post-intervention.Data analysis(independent/paired t-tests,ANCOVA)revealed that students in the BOPPPS group showed significantly greater improvement in English reading ability compared to the control group.The findings indicate the BOPPPS model is well-suited for developing junior high English reading curricula to enhance student proficiency.展开更多
This paper presents a high-fidelity lumpedparameter(LP)thermal model(HF-LPTM)for permanent magnet synchronous machines(PMSMs)in electric vehicle(EV)applications,where various cooling techniques are considered,includin...This paper presents a high-fidelity lumpedparameter(LP)thermal model(HF-LPTM)for permanent magnet synchronous machines(PMSMs)in electric vehicle(EV)applications,where various cooling techniques are considered,including frame forced air/liquid cooling,oil jet cooling for endwinding,and rotor shaft cooling.To address the temperature misestimation in the LP thermal modelling due to assumptions of concentrated loss input and uniform heat flows,the developed HF-LPTM introduces two compensation thermal resistances for the winding and PM components,which are analytically derived from the multi-dimensional heat transfer equations and are robust against different load/thermal conditions.As validated by the finite element analysis method and experiments,the conventional LPTMs exhibit significant winding temperature deviations,while the proposed HF-LPTM can accurately predict both the midpoint and average temperatures.The developed HFLPTM is further used to assess the effectiveness of various cooling techniques under different scenarios,i.e.,steady-state thermal states under the rated load condition,and transient temperature profiles under city,freeway,and hybrid(city+freeway)driving cycles.Results indicate that no single cooling technique can maintain both winding and PM temperatures within safety limits.The combination of frame liquid cooling and oil jet cooling for end winding can sufficiently mitigate PMSM thermal stress in EV applications.展开更多
The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF str...The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF structure database is available.In this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition reaction.The descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification criterion.The feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were discovered.Among them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.展开更多
Lung cancer, the leading cause of cancer deaths worldwide and in China, has a 19.7% five-year survival rate due to terminal-stage diagnosis^([1-3]).Although low-dose computed tomography(CT) screening can reduce mortal...Lung cancer, the leading cause of cancer deaths worldwide and in China, has a 19.7% five-year survival rate due to terminal-stage diagnosis^([1-3]).Although low-dose computed tomography(CT) screening can reduce mortality, high false positive rates can create economic and psychological burdens.展开更多
文摘Climate model prediction has been improved by enhancing model resolution as well as the implementation of sophisticated physical parameterization and refinement of data assimilation systems[section 6.1 in Wang et al.(2025)].In relation to seasonal forecasting and climate projection in the East Asian summer monsoon season,proper simulation of the seasonal migration of rain bands by models is a challenging and limiting factor[section 7.1 in Wang et al.(2025)].
基金Funded by State Railway Administration Research Project(No.2023JS007)National Natural Science Foundation of China(No.52438002)+1 种基金Research and Development Programs for Science and Technology of China Railways Corporation(No.J2023G003)New Cornerstone Science Foundation through the XPLORER PRIZE。
文摘To investigate the influence of coarse aggregate parent rock properties on the elastic modulus of concrete,the mineralogical properties and stress-strain curves of granite and dolomite parent rocks,as well as the strength and elastic modulus of mortar and concrete prepared with mechanism aggregates of the corresponding lithology,and the stress-strain curves of concrete were investigated.In this paper,a coarse aggregate and mortar matrix bonding assumption is proposed,and a prediction model for the elastic modulus of mortar is established by considering the lithology of the mechanism sand and the slurry components.An equivalent coarse aggregate elastic modulus model was established by considering factors such as coarse aggregate particle size,volume fraction,and mortar thickness between coarse aggregates.Based on the elastic modulus of the equivalent coarse aggregate and the remaining mortar,a prediction model for the elastic modulus of the two and three components of concrete in series and then in parallel was established,and the predicted values differed from the measured values within 10%.It is proposed that the coarse aggregate elastic modulus in highstrength concrete is the most critical factor affecting the elastic modulus of concrete,and as the coarse aggregate elastic modulus increases by 27.7%,the concrete elastic modulus increases by 19.5%.
基金supported by the National Natural Science Foundation of China(Grant Nos.52069029,52369026)the Belt and Road Special Foundation of National Key Laboratory of Water Disaster Preven-tion(Grant No.2023490411)+2 种基金the Yunnan Agricultural Basic Research Joint Special General Project(Grant Nos.202501BD070001-060,202401BD070001-071)Construction Project of the Yunnan Key Laboratory of Water Security(No.20254916CE340051)the Youth Talent Project of“Xingdian Talent Support Plan”in Yunnan Province(Grant No.XDYC-QNRC-2023-0412).
文摘Deformation prediction for extra-high arch dams is highly important for ensuring their safe operation.To address the challenges of complex monitoring data,the uneven spatial distribution of deformation,and the construction and optimization of a prediction model for deformation prediction,a multipoint ultrahigh arch dam deformation prediction model,namely,the CEEMDAN-KPCA-GSWOA-KELM,which is based on a clustering partition,is pro-posed.First,the monitoring data are preprocessed via variational mode decomposition(VMD)and wavelet denoising(WT),which effectively filters out noise and improves the signal-to-noise ratio of the data,providing high-quality input data for subsequent prediction models.Second,scientific cluster partitioning is performed via the K-means++algorithm to precisely capture the spatial distribution characteristics of extra-high arch dams and ensure the consistency of deformation trends at measurement points within each partition.Finally,CEEMDAN is used to separate monitoring data,predict and analyze each component,combine the KPCA(Kernel Principal Component Analysis)and the KELM(Kernel Extreme Learning Machine)optimized by the GSWOA(Global Search Whale Optimization Algorithm),integrate the predictions of each component via reconstruction methods,and precisely predict the overall trend of ultrahigh arch dam deformation.An extra high arch dam project is taken as an example and validated via a comparative analysis of multiple models.The results show that the multipoint deformation prediction model in this paper can combine data from different measurement points,achieve a comprehensive,precise prediction of the deformation situation of extra high arch dams,and provide strong technical support for safe operation.
基金Open Access funding enabled and organized by Projekt DEAL.
文摘In this study,copper extraction from low-grade oxide-sulfide ores was investigated using a leaching method combined with response surface methodology(RSM)to optimize operational conditions and assess leaching kinetics.Given copper's extensive industrial applications,sustainable recovery from low-grade ores is critical.Five key parameters-acid concentration,leaching time,particle size,temperature,and solids percentage-were identified as major influences on copper recovery.The results revealed that leaching time and solids percentage,along with interactions between temperature-time and temperature-solids percentage,had the most significant effects.Optimal conditions for 80% copper recovery while minimizing iron recovery below 3% included an acid concentration of 1.21 mol L^(-1),a leaching time of 108 min,a particle size of 438μm,a temperature of 45℃,and a solids percentage of 18.2%.Leaching kinetics were analyzed using shrinking core models,with the Dickinson model best describing the process,showing an activation energy of 32.63 kJ mol^(-1),indicative of mixed diffusion and chemical reaction control.The final kinetic model effectively predicted the influence of key parameters.These findings highlight the importance of optimizing process variables and selecting suitable kinetic models to enhance extraction efficiency,reduce costs,and improve sustainability in copper recovery.
基金funded by Princess Nourah bint Abdulrahman University Researchers Supporting Project number(PNURSP2025R442)Princess Nourah bint Abdulrahman University,Riyadh,Saudi Arabia.
文摘Accurate parameter extraction of photovoltaic(PV)models plays a critical role in enabling precise performance prediction,optimal system sizing,and effective operational control under diverse environmental conditions.While a wide range of metaheuristic optimisation techniques have been applied to this problem,many existing methods are hindered by slow convergence rates,susceptibility to premature stagnation,and reduced accuracy when applied to complex multi-diode PV configurations.These limitations can lead to suboptimal modelling,reducing the efficiency of PV system design and operation.In this work,we propose an enhanced hybrid optimisation approach,the modified Spider Wasp Optimization(mSWO)with Opposition-Based Learning algorithm,which integrates the exploration and exploitation capabilities of the Spider Wasp Optimization(SWO)metaheuristic with the diversityenhancing mechanism of Opposition-Based Learning(OBL).The hybridisation is designed to dynamically expand the search space coverage,avoid premature convergence,and improve both convergence speed and precision in highdimensional optimisation tasks.The mSWO algorithm is applied to three well-established PV configurations:the single diode model(SDM),the double diode model(DDM),and the triple diode model(TDM).Real experimental current-voltage(I-V)datasets from a commercial PV module under standard test conditions(STC)are used for evaluation.Comparative analysis is conducted against eighteen advanced metaheuristic algorithms,including BSDE,RLGBO,GWOCS,MFO,EO,TSA,and SCA.Performance metrics include minimum,mean,and maximum root mean square error(RMSE),standard deviation(SD),and convergence behaviour over 30 independent runs.The results reveal that mSWO consistently delivers superior accuracy and robustness across all PV models,achieving the lowest RMSE values of 0.000986022(SDM),0.000982884(DDM),and 0.000982529(TDM),with minimal SD values,indicating remarkable repeatability.Convergence analyses further show that mSWO reaches optimal solutions more rapidly and with fewer oscillations than all competing methods,with the performance gap widening as model complexity increases.These findings demonstrate that mSWO provides a scalable,computationally efficient,and highly reliable framework for PV parameter extraction.Its adaptability to models of growing complexity suggests strong potential for broader applications in renewable energy systems,including performance monitoring,fault detection,and intelligent control,thereby contributing to the optimisation of next-generation solar energy solutions.
基金supported by the National Natural Science Foundation of China(Grant Nos.12272411 and 42007259).
文摘Deep rock engineering is affected by coupled thermo-hydro-mechanical(THM)-dynamic fields,necessitating the elucidation of the dynamic mechanical behavior and failure mechanisms.This study utilized a Multi-field Coupled Controlled Split Hopkinson Pressure Bar(MCC-SHPB)system to elucidate the cross-scale dynamic responses of rocks and the boundaries of failure modes under THM coupling.Impact tests were conducted on green sandstone under coupled conditions of temperature(25℃-80℃),confining pressure(0-15 MPa),and seepage water pressure(0-15 MPa).Scanning electron microscopy(SEM)microstructural characterization and COMSOL Multiphysics numerical simulations were conducted,and a dynamic constitutive theoretical framework and failure-prediction methodology were established.We investigated the impact toughness index(I_(t)),dynamic modulus(E_(d)),dynamic triaxial compressive strength(TCS_(d)),fragmentation degree(W),and failure modes of green sandstone under thermo-confining pressure-seepage-impact loading conditions.The key findings reveal that the(I_(t))reflects different energy regulation mechanisms across different confining pressure regimes.Thermal-microcrack interactions dominate at low pressure,and energy absorption prevails at high pressure.A triphasic dynamic modulus model captures stiffness evolution under energy-driven conditions,revealing cross-scale crack nucleation-propagation and fragment reorganization.The TCSd inflection point signifies energy dissipation shifts,causing nonlinear skeleton bearing-capacity degradation.A critical criterion based on the W was established to distinguish between the two failure modes and predict the unstable failure initiation.Numerical simulations were used to elucidate the effects of inertia-dominated crack propagation and stress wave interference,validating the critical criterion and the predictive accuracy of the theoretical model during cross-scale failure.This study provides a theoretical foundation for assessing the dynamic stability of rock masses subjected to multi-field coupling during deep resource exploitation.
基金supported by the National Natural Science Foundation of China(Nos.12172315,12072304,11702232)the Fujian Provincial Natural Science Foundation,China(No.2021J01050)the Aeronautical Science Foundation of China(No.20220013068002).
文摘Unsteady aerodynamic characteristics at high angles of attack are of great importance to the design and development of advanced fighter aircraft, which are characterized by post-stall maneuverability with multiple Degrees-of-Freedom(multi-DOF) and complex flow field structure.In this paper, a special kind of cable-driven parallel mechanism is firstly utilized as a new suspension method to conduct unsteady dynamic wind tunnel tests at high angles of attack, thereby providing experimental aerodynamic data. These tests include a wide range of multi-DOF coupled oscillatory motions with various amplitudes and frequencies. Then, for aerodynamic modeling and analysis, a novel data-driven Feature-Level Attention Recurrent neural network(FLAR) is proposed. This model incorporates a specially designed feature-level attention module that focuses on the state variables affecting the aerodynamic coefficients, thereby enhancing the physical interpretability of the aerodynamic model. Subsequently, spin maneuver simulations, using a mathematical model as the baseline, are conducted to validate the effectiveness of the FLAR. Finally, the results on wind tunnel data reveal that the FLAR accurately predicts aerodynamic coefficients, and observations through the visualization of attention scores identify the key state variables that affect the aerodynamic coefficients. It is concluded that the proposed FLAR enhances the interpretability of the aerodynamic model while achieving good prediction accuracy and generalization capability for multi-DOF coupling motion at high angles of attack.
基金supported by State Grid Anhui Electric Power Co.,Ltd.Research Program(B3120923000C).
文摘To adapt to the uncertainty of new energy,increase new energy consumption,and reduce carbon emissions,a high-voltage distribution network energy storage planning model based on robustness-oriented planning and distributed new energy consumption is proposed.Firstly,the spatio-temporal correlation of large-scale wind-photovoltaic energy is modeled based on the Vine Copula model,and the spatial correlation of the generated wind-photovoltaic power generation is corrected to get the spatio-temporal correlation of wind-photovoltaic power generation scenarios.Finally,considering the subsequent development of new energy on demand for high-voltage distribution network peaking margin and the economy of the system peaking,we propose the optimization model of high-voltage distribution network energy storage plant siting and capacity setting for source-storage cooperative peaking.The simulation results show that the proposed energy storage plant planning method can effectively alleviate the branch circuit blockage,promote new energy consumption,reduce the burden of the main grid peak shifting,and leave sufficient peak shifting margin for the subsequent development of a new energy distribution network while ensuring the economy.
基金National Natural Science Foundation of China(Nos.42301473,42271424,42171397)Chinese Postdoctoral Innovation Talents Support Program(No.BX20230299)+2 种基金China Postdoctoral Science Foundation(No.2023M742884)Natural Science Foundation of Sichuan Province(Nos.24NSFSC2264,2025ZNSFSC0322)Key Research and Development Project of Sichuan Province(No.24ZDYF0633).
文摘As a key node of modern transportation network,the informationization management of road tunnels is crucial to ensure the operation safety and traffic efficiency.However,the existing tunnel vehicle modeling methods generally have problems such as insufficient 3D scene description capability and low dynamic update efficiency,which are difficult to meet the demand of real-time accurate management.For this reason,this paper proposes a vehicle twin modeling method for road tunnels.This approach starts from the actual management needs,and supports multi-level dynamic modeling from vehicle type,size to color by constructing a vehicle model library that can be flexibly invoked;at the same time,semantic constraint rules with geometric layout,behavioral attributes,and spatial relationships are designed to ensure that the virtual model matches with the real model with a high degree of similarity;ultimately,the prototype system is constructed and the case region is selected for the case study,and the dynamic vehicle status in the tunnel is realized by integrating real-time monitoring data with semantic constraints for precise virtual-real mapping.Finally,the prototype system is constructed and case experiments are conducted in selected case areas,which are combined with real-time monitoring data to realize dynamic updating and three-dimensional visualization of vehicle states in tunnels.The experiments show that the proposed method can run smoothly with an average rendering efficiency of 17.70 ms while guaranteeing the modeling accuracy(composite similarity of 0.867),which significantly improves the real-time and intuitive tunnel management.The research results provide reliable technical support for intelligent operation and emergency response of road tunnels,and offer new ideas for digital twin modeling of complex scenes.
基金Supported by the National Natural Science Foundation of China(62201293,62034003)the Open-Foundation of State Key Laboratory of Millimeter-Waves(K202313)the Jiangsu Province Youth Science and Technology Talent Support Project(JSTJ-2024-040)。
文摘In this paper,the small-signal modeling of the Indium Phosphide High Electron Mobility Transistor(InP HEMT)based on the Transformer neural network model is investigated.The AC S-parameters of the HEMT device are trained and validated using the Transformer model.In the proposed model,the eight-layer transformer encoders are connected in series and the encoder layer of each Transformer consists of the multi-head attention layer and the feed-forward neural network layer.The experimental results show that the measured and modeled S-parameters of the HEMT device match well in the frequency range of 0.5-40 GHz,with the errors versus frequency less than 1%.Compared with other models,good accuracy can be achieved to verify the effectiveness of the proposed model.
基金supported by the Postgraduate Research&Practice Innovation Program of Jiangsu Province(Grant No.KYCX24_0714).
文摘To examine the similarities and differences in the evolution of cavity,wetting and dynamics of a highspeed,oblique water-entry projectile with different positive angles of attack,a comparative analysis has been conducted based on the numerical results of two mathematical models,the rigid-body model and fluid-structure interaction model.In addition,the applicable scope of the above two methods,and the structural response characteristics of the projectile have also been investigated.Our results demonstrate that:(1) The impact loads and angular motion of the projectile of the rigid-body method are more likely to exhibit periodic variations due to the periodic tail slap,its range of positive angles of attack is about α<2°.(2) When the projectile undergone significant wetting,a strong coupling effect is observed among wetting,structural deformation,and projectile motion.With the applied projectile shape,it is observed that,when the projectile bends,the final wetting position is that of Part B(cylinder of body).With the occu rrence of this phenomenon,the projectile ballistics beco me completely unstable.(3) The force exerted on the lower surface of the projectile induced by wetting is the primary reason of the destabilization of the projectile traj ectory and structu ral deformation failure.Bending deformation is most likely to appear at the junction of Part C(cone of body) and Part D(tail).The safe angles of attack of the projectile stability are found to be about α≤2°.
基金co-supported by the financial support from the Fundamental Research Funds for the Central Universities,China(Nos.YWF-23-L-1012,YWF-22-L-1017)the National Natural Science Foundation of China(No.52005020)。
文摘The performance of welded Ni-based superalloys at high temperatures is essential to be evaluated due to their particular service environment for aero-engines and high-speed aircrafts.The tensile properties and related microstructural evolutions such as the carbide precipitate and grain of a laser-welded Ni-based alloy were experimentally and numerically investigated at different temperatures(20,300,500,800℃).The results show that at room temperature,the strength of the Base Material(BM)was slightly smaller,with a difference of less than 1%,than the Welded Material(WM),which can be attributed to the more uniformly distributed needle-shaped carbide precipitates in the WM than those nonuniformly coarser spherical ones in the BM.While at 300℃ and 500℃,the strength of WM decreased more obviously compared with that of BM due to the more apparent growth of grain:13.52%loss in yield strength in WM alloys as compared with BM alloys at 300℃,and 16.57% at 500℃.At 800℃,the strength of BM and WM both decreased to a similar level due to Dynamic Recrystallization(DRX).However,a much higher elongation was observed for the BM than WM(less than 50%of BM),which can be attributed to the enhanced dislocation accumulation capability of the large spherical carbides along grain boundaries on the fracture surface in BM.Furthermore,a unified model considering the welding effects on both microstructures(dislocation,carbides,and grain)and mechanical properties evolutions at different temperatures was developed and validated.Based on this model,the key temperature ranges(20–600℃)where apparent weakening of strength and uniform plasticity occurs for welded structures were identified,providing a direct guidance for potential structure and process design.
文摘With the continuous improvement of signal processing accuracy requirements in modern electronic systems,the demand for high-precision analog-to-digital converters(ADCs)is increasing.Sigma-Delta modulator,as the most important component of high-precision ADC,is widely used in high-quality audio,high-precision instrument measurement,and other fields due to its advantages of high precision,strong noise resistance,and low hardware cost.This article designs a discrete structure third-order four-bit high-precision Sigma-Delta modulator through modeling,with an oversampling rate set to 512.Under ideal conditions,the simulation results show that the SDNR reaches 152.7db and the ENOB is 25.24bits.After introducing non-ideal noise,the system performance has decreased.The simulation results show that the SDNR is as high as 124.5db and the ENOB is 20.39bits.This indicates that the design can achieve high-precision conversion and provide assistance for further research in the future.
文摘In the context of the“Two New”initiatives,high school mathematics instruction still grapples with three interlocking problems:knowledge fragmentation,limited cultivation of higher-order thinking,and weak alignment among teaching,learning,and assessment.To counter these challenges,we propose an Inquiry-Construction Double-Helix model that uses a domain-specific knowledge graph as its cognitive spine.The model interweaves two mutually reinforcing strands-student-driven inquiry and systematic knowledge construction-into a double-helix trajectory analogous to DNA replication.The Inquiry Strand is launched by authentic,situation-based tasks that shepherd students through the complete cycle:question→hypothesis→verification→reflection.The Construction Strand simultaneously externalizes,restructures,and internalizes core disciplinary concepts via visual,hierarchical knowledge graphs.Within the flow of a lesson,the two strands alternately dominate and scaffold each other,securing the co-development of conceptual understanding,procedural fluency,and mathematical literacy.Empirical evidence demonstrates that this model significantly enhances students’systematic knowledge integration,problem-solving transfer ability,and core mathematical competencies,offering a replicable and operable teaching paradigm and practical pathway for deepening high school mathematics classroom reform.
基金supported by the National Natural Science Foundation of China(Grant Nos.52271153 and 12472069)the Natural Science Basic Research Plan for Distinguished Young Scholars in Shaanxi Province(Grant No.2021JC-12)。
文摘Metallic glasses(MGs)exhibit exceptional mechanical properties,but their application is often limited by brittleness.At elevated temperatures near the glass transition(T_(g)),they undergo homogeneous viscoplastic deformation,a regime commonly described using free volume(FV)theory.Despite its prevalence,the quantitative accuracy and applicability of FV models,particularly for transient behaviors,remain under investigation.This study examines the homogeneous rheology of a LaCeYNiAl high-entropy MG(HEMG)between 475 K and 490 K,and critically assesses the relevance of two prominent FV model formulations.Experimental characterization includes dynamic mechanical analysis and uniaxial tensile tests across various strain rates.The tensile data are subsequently analyzed using two elasto-viscoplastic constitutive frameworks incorporating distinct FV evolution kinetics:Spaepen's original formulation(model 1),and the bimolecular annihilation kinetics proposed by Van den Beukel/Sietsma(model 2).Our analysis reveals that model 1,when applied to steady-state flow,yields physically inconsistent negative parameters,calling its validity for homogeneous deformation into question.Model 2 demonstrates better qualitative agreement with the experimental stress–strain curves but still fails to accurately reproduce the stress overshoot features.Moreover,fitting model 2 requires unphysically low Young's modulus values and produces unusual negative apparent activation energies for key kinetic parameters,suggesting limitations in the model structure(e.g.,neglecting explicit viscoelasticity)or possibly unique behavior in HEMGs.These findings highlight significant shortcomings of standard FV models in quantitatively capturing the homogeneous deformation of this HEMG,particularly its transient characteristics,and underscore the need for more refined constitutive descriptions.
基金supported by the Ministry of Science,Technological Development and Innovation of the Republic of Serbia,through the Contract no.451-03-65/2024-03/200105
文摘This paper proposes a modification of the Forrestal-Warren perforation model aimed at extending its applicability range to intermediately-thick high-hardness armor steel plates.When impacted by armorpiercing projectiles,these plates tend to fail through adiabatic shear plugging which significantly reduces their ballistic resistance.To address this effect,an approach for determining effective thickness was defined and incorporated into the predictive model.Ballistic impact tests were performed to assess the modification's validity,in which ARMOX 500T steel plates were subjected to perpendicular impacts from 7.62×39 mm steel-cored rounds under various velocities.Frequent target failure by soft plugging was observed,as well as the brittle shatter of the hard steel core.Key properties of the recovered plugs including their mass,length and diameter were measured and reported along with the projectiles'residual velocities.Additionally,independent data from the open literature were included in the analysis for further validation.The original Forrestal-Warren model and the novel effective thickness modification were then used to establish the relationship between impact and residual velocities,as well as to determine the ballistic limit velocity.The comparison revealed that the proposed approach significantly improves the model's accuracy,showing a strong correlation with experimental data and reducing deviations to within a few percent.This enhancement highlights the potential of the effective thickness term,which could also be applied to other predictive models to extend their applicability range.Further exploration into other armor steels and impact conditions is recommended to assess the method's versatility.
文摘This study investigated the effectiveness of the BOPPPS teaching model in improving English reading skills among junior high school students in Fujian Province,China.Using a quasi-experimental design,102 ninth-grade students from two classes participated:an experimental group(n=51)taught with BOPPPS for 12 weeks(12 sessions)and a control group(*n=51)receiving traditional instruction.The A2 Key for Schools test measured reading ability pre-and post-intervention.Data analysis(independent/paired t-tests,ANCOVA)revealed that students in the BOPPPS group showed significantly greater improvement in English reading ability compared to the control group.The findings indicate the BOPPPS model is well-suited for developing junior high English reading curricula to enhance student proficiency.
文摘This paper presents a high-fidelity lumpedparameter(LP)thermal model(HF-LPTM)for permanent magnet synchronous machines(PMSMs)in electric vehicle(EV)applications,where various cooling techniques are considered,including frame forced air/liquid cooling,oil jet cooling for endwinding,and rotor shaft cooling.To address the temperature misestimation in the LP thermal modelling due to assumptions of concentrated loss input and uniform heat flows,the developed HF-LPTM introduces two compensation thermal resistances for the winding and PM components,which are analytically derived from the multi-dimensional heat transfer equations and are robust against different load/thermal conditions.As validated by the finite element analysis method and experiments,the conventional LPTMs exhibit significant winding temperature deviations,while the proposed HF-LPTM can accurately predict both the midpoint and average temperatures.The developed HFLPTM is further used to assess the effectiveness of various cooling techniques under different scenarios,i.e.,steady-state thermal states under the rated load condition,and transient temperature profiles under city,freeway,and hybrid(city+freeway)driving cycles.Results indicate that no single cooling technique can maintain both winding and PM temperatures within safety limits.The combination of frame liquid cooling and oil jet cooling for end winding can sufficiently mitigate PMSM thermal stress in EV applications.
基金financial support from the National Key Research and Development Program of China(2021YFB 3501501)the National Natural Science Foundation of China(No.22225803,22038001,22108007 and 22278011)+1 种基金Beijing Natural Science Foundation(No.Z230023)Beijing Science and Technology Commission(No.Z211100004321001).
文摘The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF structure database is available.In this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition reaction.The descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification criterion.The feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were discovered.Among them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.
基金supported by the National Natural Science Foundation of China(grant numbers 82204127 and 72204172)。
文摘Lung cancer, the leading cause of cancer deaths worldwide and in China, has a 19.7% five-year survival rate due to terminal-stage diagnosis^([1-3]).Although low-dose computed tomography(CT) screening can reduce mortality, high false positive rates can create economic and psychological burdens.
