Mg alloys are extremely valuable in the automotive and aerospace industries because of their lightweight properties and excellent machin-ability.The applications in these industries necessitate the accurate prediction...Mg alloys are extremely valuable in the automotive and aerospace industries because of their lightweight properties and excellent machin-ability.The applications in these industries necessitate the accurate prediction of fatigue life under cyclic loading.However,this is challenging for many wrought Mg alloys owing to their pronounced plastic anisotropy.Conventional predictive methods such as the Coffin-Manson equa-tion require manual parameter adjustment for different conditions,thus limiting their applicability.Accordingly,a novel predictive model for low-cycle fatigue(LCF)life that combines machine learning(ML)with an energy-based physical model,referred to as the hybrid ML/E model,is proposed herein.The hybrid ML/E model leverages a substantial hysteresis-loop dataset generated from LCF tests on a rolled AZ31 Mg alloy to effectively predict fatigue life.The proposed approach addresses the inherent challenges of small fatigue datasets,hysteresis-loop perception,and algorithm selection.The hybrid ML/E model demonstrates superior predictive accuracy and robustness in various loading directions,based on validation against conventional methods.The integration of ML and physical principles offers a unified framework for the LCF life prediction of anisotropic materials and represents a significant advancement for industrial applications.展开更多
Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well ...Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex systems.Within the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase systems.This algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of subsystems.We have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental data.The results show that this method can efficiently and accu-rately predict the ECD spectra of these systems.Thus,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.展开更多
Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc...Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc-tion with the domain-based local pair natural orbital(DLPNO)method,has been applied to assess the average binding energies(ABEs)of large benzene clus-ters,specifically(C6H6)13,at the coupled cluster singles and doubles with perturbative triples correction[CCSD(T)]level and the complete basis set(CBS)limit.Utilizing GEBF-DLPNO-CCSD(T)/CBS ABEs as benchmarks,various DFT functionals were evaluated.It was found that several functionals with empirical dispersion correction,including M06-2X-D3,B3LYP-D3(BJ),and PBE-D3(BJ),provide accurate descriptions of the ABEs for(C6H6)13 clusters.Additionally,the M06-2X-D3 functional was used to calculate the ABEs and relative stabili-ties of(C6H6)n clusters for n=11,12,13,14,and 15 revealing that the(C6H6)13 cluster ex-hibits the highest relative stability.These findings align with experimental evidence suggest-ing that n=13 is one of the magic numbers for benzene clusters(C6H6)n,with n≤30.展开更多
Deep high-energy rock masses are susceptible to dynamic and static disasters in underground caverns when stress waves superimpose on them. Scientifically evaluating the stability of surrounding rock mass under such co...Deep high-energy rock masses are susceptible to dynamic and static disasters in underground caverns when stress waves superimpose on them. Scientifically evaluating the stability of surrounding rock mass under such conditions is fundamental for predicting and preventing related hazards. This study combines laboratory dynamic disturbance tests with numerical simulations to analyze changes in the three-dimensional stress state of surrounding rock caused by stress waves. It was found that stress waves not only alter the magnitude of unit stresses but also cause rotation of the principal stress axes. Based on the failure approach index(FAI), a new dynamic response evaluation index for brittle surrounding rock—the Energy Hazard Index(FAI_(E)) is proposed from an energy perspective. This index can derive functional expressions based on different strength criteria, offering good extensibility. Using the Mohr-Coulomb strength criterion as an example, the specific functional expression of FAI_(E) is provided. Comparison with experimental results confirms that the evaluation outcomes align with the dynamic response characteristics of surrounding rock mass, simultaneously considering both tensile and shear failure modes. Parameter sensitivity tests demonstrate the applicability of the index under complex conditions. Furthermore, the relationship between FAIE and commonly used dynamic disturbance evaluation parameters—such as Peak Particle Velocity(PPV)—has been examined, demonstrating that FAIE provides a more accurate and direct assessment of stability. Finally, a rapid engineering application method for FAIE is presented. The research findings hold significant importance for future stability evaluation and support design of surrounding rock in deep underground engineering projects.展开更多
We propose an energy-based stochastic model of wireless sensor networks (WSNs) where each sensor node is randomly and alternatively in an active and a sleep mode. We first investigate the sensor model and derive the f...We propose an energy-based stochastic model of wireless sensor networks (WSNs) where each sensor node is randomly and alternatively in an active and a sleep mode. We first investigate the sensor model and derive the formula of the steady-state probability when there are a number of data packets in different sensor modes. We then determine important sensor’s performance measures in terms of energy consumptions, average data delay and throughput. The novelty of this paper is in its development of a stochastic model in WSN with active/sleep feature and the explicit results obtained for above mentioned energy consumption and performance characteristics. These results are expected to be useful as the fundamental results in the theoretical analysis and design of various hybrid WSNs with power mode consideration.展开更多
The maximum entropy principle(MEP) is one of the first methods which have been used to predict droplet size and velocity distributions of liquid sprays. This method needs a mean droplets diameter as an input to predic...The maximum entropy principle(MEP) is one of the first methods which have been used to predict droplet size and velocity distributions of liquid sprays. This method needs a mean droplets diameter as an input to predict the droplet size distribution. This paper presents a new sub-model based on the deterministic aspects of liquid atomization process independent of the experimental data to provide the mean droplets diameter for using in the maximum entropy formulation(MEF). For this purpose, a theoretical model based on the approach of energy conservation law entitled energy-based model(EBM) is presented. Based on this approach, atomization occurs due to the kinetic energy loss. Prediction of the combined model(MEF/EBM) is in good agreement with the available experimental data. The energy-based model can be used as a fast and reliable enough model to obtain a good estimation of the mean droplets diameter of a spray and the combined model(MEF/EBM) can be used to well predict the droplet size distribution at the primary breakup.展开更多
Model evaluation using benchmark datasets is an important method to measure the capability of large language models(LLMs)in specific domains,and it is mainly used to assess the knowledge and reasoning abilities of LLM...Model evaluation using benchmark datasets is an important method to measure the capability of large language models(LLMs)in specific domains,and it is mainly used to assess the knowledge and reasoning abilities of LLMs.Therefore,in order to better assess the capability of LLMs in the agricultural domain,Agri-Eval was proposed as a benchmark for assessing the knowledge and reasoning ability of LLMs in agriculture.The assessment dataset used in Agri-Eval covered seven major disciplines in the agricultural domain:crop science,horticulture,plant protection,animal husbandry,forest science,aquaculture science,and grass science,and contained a total of 2283 questions.Among domestic general-purpose LLMs,DeepSeek R1 performed best with an accuracy rate of 75.49%.In the realm of international general-purpose LLMs,Gemini 2.0 pro exp 0205 standed out as the top performer,achieving an accuracy rate of 74.28%.As an LLMs in agriculture vertical,Shennong V2.0 outperformed all the LLMs in China,and the answer accuracy rate of agricultural knowledge exceeded that of all the existing general-purpose LLMs.The launch of Agri-Eval helped the LLM developers to comprehensively evaluate the model's capability in the field of agriculture through a variety of tasks and tests to promote the development of the LLMs in the field of agriculture.展开更多
In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asy...In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asymptotic stability of the trivial solution and the positive periodic solution.Finally,numerical simulations are presented to validate our results.Our results show that age-selective harvesting is more conducive to sustainable population survival than non-age-selective harvesting.展开更多
In recent years,there has been an increasing need for climate information across diverse sectors of society.This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and cha...In recent years,there has been an increasing need for climate information across diverse sectors of society.This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and change.Likewise,this period has seen a significant increase in our understanding of the physical processes and mechanisms that drive precipitation and its variability across different regions of Africa.By leveraging a large volume of climate model outputs,numerous studies have investigated the model representation of African precipitation as well as underlying physical processes.These studies have assessed whether the physical processes are well depicted and whether the models are fit for informing mitigation and adaptation strategies.This paper provides a review of the progress in precipitation simulation overAfrica in state-of-the-science climate models and discusses the major issues and challenges that remain.展开更多
Utilizing finite element analysis,the ballistic protection provided by a combination of perforated D-shaped and base armor plates,collectively referred to as radiator armor,is evaluated.ANSYS Explicit Dynamics is empl...Utilizing finite element analysis,the ballistic protection provided by a combination of perforated D-shaped and base armor plates,collectively referred to as radiator armor,is evaluated.ANSYS Explicit Dynamics is employed to simulate the ballistic impact of 7.62 mm armor-piercing projectiles on Aluminum AA5083-H116 and Steel Secure 500 armors,focusing on the evaluation of material deformation and penetration resistance at varying impact points.While the D-shaped armor plate is penetrated by the armor-piercing projectiles,the combination of the perforated D-shaped and base armor plates successfully halts penetration.A numerical model based on the finite element method is developed using software such as SolidWorks and ANSYS to analyze the interaction between radiator armor and bullet.The perforated design of radiator armor is to maintain airflow for radiator function,with hole sizes smaller than the bullet core diameter to protect radiator assemblies.Predictions are made regarding the brittle fracture resulting from the projectile core′s bending due to asymmetric impact,and the resulting fragments failed to penetrate the perforated base armor plate.Craters are formed on the surface of the perforated D-shaped armor plate due to the impact of projectile fragments.The numerical model accurately predicts hole growth and projectile penetration upon impact with the armor,demonstrating effective protection of the radiator assemblies by the radiator armor.展开更多
The National Geophysical Data Center(NGDC)of the United States has collected aeromagnetic data for input into a series of geomagnetic models to improve model resolution;however,in the Tibetan Plateau region,ground-bas...The National Geophysical Data Center(NGDC)of the United States has collected aeromagnetic data for input into a series of geomagnetic models to improve model resolution;however,in the Tibetan Plateau region,ground-based observations remain insufficient to clearly reflect the characteristics of the region’s lithospheric magnetism.In this study,we evaluate the lithospheric magnetism of the Tibetan Plateau by using a 3D surface spline model based on observations from>200 newly constructed repeat stations(portable stations)to determine the spatial distribution of plateau geomagnetism,as well as its correlation with the tectonic features of the region.We analyze the relationships between M≥5 earthquakes and lithospheric magnetic field variations on the Tibetan Plateau and identify regions susceptible to strong earthquakes.We compare the geomagnetic results with those from an enhanced magnetic model(EMM2015)developed by the NGDC and provide insights into improving lithospheric magnetic field calculations in the Tibetan Plateau region.Further research reveals that these magnetic anomalies exhibit distinct differences from the magnetic-seismic correlation mechanisms observed in other tectonic settings;here,they are governed primarily by the combined effects of compressional magnetism,thermal magnetism,and deep thermal stress.This study provides new evidence of geomagnetic anomalies on the Tibetan Plateau,interprets them physically,and demonstrates their potential for identifying seismic hazard zones on the Plateau.展开更多
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
Kinetic impact is the most practical planetary-defense technique,with momentum-transfer efficiency central to deflection design.We present a Monte Carlo photometric framework that couples ejecta sampling,dynamical evo...Kinetic impact is the most practical planetary-defense technique,with momentum-transfer efficiency central to deflection design.We present a Monte Carlo photometric framework that couples ejecta sampling,dynamical evolution,and image synthesis to compare directly with HST,LICIACube,ground-based and Lucy observations of the DART impact.Decomposing ejecta into(1)a highvelocity(~1600 m/s)plume exhibiting Na/K resonance,(2)a low-velocity(~1 m/s)conical component shaped by binary gravity and solar radiation pressure,and(3)meter-scale boulders,we quantify each component’s mass and momentum.Fitting photometric decay curves and morphological evolution yields size-velocity distributions and,via scaling laws,estimates of Dimorphos’bulk density,cratering parameters,and cohesive strength that agree with dynamical constraints.Photometric ejecta modeling therefore provides a robust route to constrain momentum enhancement and target properties,improving predictive capability for kinetic-deflection missions.展开更多
Customer churn is the rate at which customers discontinue doing business with a company over a given time period.It is an essential measure for businesses to monitor high churn rates,as they often indicate underlying ...Customer churn is the rate at which customers discontinue doing business with a company over a given time period.It is an essential measure for businesses to monitor high churn rates,as they often indicate underlying issues with services,products,or customer experience,resulting in considerable income loss.Prediction of customer churn is a crucial task aimed at retaining customers and maintaining revenue growth.Traditional machine learning(ML)models often struggle to capture complex temporal dependencies in client behavior data.To address this,an optimized deep learning(DL)approach using a Regularized Bidirectional Long Short-Term Memory(RBiLSTM)model is proposed to mitigate overfitting and improve generalization error.The model integrates dropout,L2-regularization,and early stopping to enhance predictive accuracy while preventing over-reliance on specific patterns.Moreover,this study investigates the effect of optimization techniques on boosting the training efficiency of the developed model.Experimental results on a recent public customer churn dataset demonstrate that the trained model outperforms the traditional ML models and some other DL models,such as Long Short-Term Memory(LSTM)and Deep Neural Network(DNN),in churn prediction performance and stability.The proposed approach achieves 96.1%accuracy,compared with LSTM and DNN,which attain 94.5%and 94.1%accuracy,respectively.These results confirm that the proposed approach can be used as a valuable tool for businesses to identify at-risk consumers proactively and implement targeted retention strategies.展开更多
This study demonstrates a novel integration of large language models,machine learning,and multicriteria decision-making to investigate self-moderation in small online communities,a topic under-explored compared to use...This study demonstrates a novel integration of large language models,machine learning,and multicriteria decision-making to investigate self-moderation in small online communities,a topic under-explored compared to user behavior and platform-driven moderation on social media.The proposed methodological framework(1)utilizes large language models for social media post analysis and categorization,(2)employs k-means clustering for content characterization,and(3)incorporates the TODIM(Tomada de Decisão Interativa Multicritério)method to determine moderation strategies based on expert judgments.In general,the fully integrated framework leverages the strengths of these intelligent systems in a more systematic evaluation of large-scale decision problems.When applied in social media moderation,this approach promotes nuanced and context-sensitive self-moderation by taking into account factors such as cultural background and geographic location.The application of this framework is demonstrated within Facebook groups.Eight distinct content clusters encompassing safety,harassment,diversity,and misinformation are identified.Analysis revealed a preference for content removal across all clusters,suggesting a cautious approach towards potentially harmful content.However,the framework also highlights the use of other moderation actions,like account suspension,depending on the content category.These findings contribute to the growing body of research on self-moderation and offer valuable insights for creating safer and more inclusive online spaces within smaller communities.展开更多
Machine learning-assisted methods for rapid and accurate prediction of temperature field,mushy zone,and grain size were proposed for the heating−cooling combined mold(HCCM)horizontal continuous casting of C70250 alloy...Machine learning-assisted methods for rapid and accurate prediction of temperature field,mushy zone,and grain size were proposed for the heating−cooling combined mold(HCCM)horizontal continuous casting of C70250 alloy plates.First,finite element simulations of casting processes were carried out with various parameters to build a dataset.Subsequently,different machine learning algorithms were employed to achieve high precision in predicting temperature fields,mushy zone locations,mushy zone inclination angle,and billet grain size.Finally,the process parameters were quickly optimized using a strategy consisting of random generation,prediction,and screening,allowing the mushy zone to be controlled to the desired target.The optimized parameters are 1234℃for heating mold temperature,47 mm/min for casting speed,and 10 L/min for cooling water flow rate.The optimized mushy zone is located in the middle of the second heat insulation section and has an inclination angle of roughly 7°.展开更多
Vegetation plays an important role in the environmental transport behavior of organic pollutants,however,the different roles of crops and natural vegetation have been ignored in most previous studies.In this study,we ...Vegetation plays an important role in the environmental transport behavior of organic pollutants,however,the different roles of crops and natural vegetation have been ignored in most previous studies.In this study,we developed the BETR-Urban-Rural-Veg model to quantitatively evaluate the influences of both natural vegetation and crops on the multimedia transport processes of Phenanthrene(PHE)and Benzo(a)pyrene(BaP)in mainland of China.The geographic distribution of polycyclic aromatic hydrocarbon(PAH)emissions and concentrations were consistent,displaying higher levels in northern China while lower levels in southern China.Under seasonal simulations,for both natural vegetation and crops,PAH concentrations in winter and spring were 1.5 to 27-fold higher than in summer and autumn,especially for PHE.Owing to the higher leaf area index(LAI)of natural vegetation and harvesting of crops,the filter and sequestration effect of natural vegetation was stronger than crops,while the seasonal changes of PAH concentrations in crops were more significant than natural vegetation.Temperature,precipitation rates and LAI might have important influences on seasonal concentrations and overall persistence of PAHs.PHE was more sensitive to the impacts of seasonal environmental parameters.Under different landscape scenarios,average annual PAH concentrations in natural vegetation were always a little higher than those in crops,and the overall persistence of BaP was greatly affected increasing by 15.15%-16.47%.This improved model provides a useful tool for environmental management.The results of this study are expected to support land use plans and decision-making in China's mainland.展开更多
Current shipping,tourism,and resource development requirements call for more accurate predictions of the Arctic sea-ice concentration(SIC).However,due to the complex physical processes involved,predicting the spatiote...Current shipping,tourism,and resource development requirements call for more accurate predictions of the Arctic sea-ice concentration(SIC).However,due to the complex physical processes involved,predicting the spatiotemporal distribution of Arctic SIC is more challenging than predicting its total extent.In this study,spatiotemporal prediction models for monthly Arctic SIC at 1-to 3-month leads are developed based on U-Net-an effective convolutional deep-learning approach.Based on explicit Arctic sea-ice-atmosphere interactions,11 variables associated with Arctic sea-ice variations are selected as predictors,including observed Arctic SIC,atmospheric,oceanic,and heat flux variables at 1-to 3-month leads.The prediction skills for the monthly Arctic SIC of the test set(from January 2018 to December 2022)are evaluated by examining the mean absolute error(MAE)and binary accuracy(BA).Results showed that the U-Net model had lower MAE and higher BA for Arctic SIC compared to two dynamic climate prediction systems(CFSv2 and NorCPM).By analyzing the relative importance of each predictor,the prediction accuracy relies more on the SIC at the 1-month lead,but on the surface net solar radiation flux at 2-to 3-month leads.However,dynamic models show limited prediction skills for surface net solar radiation flux and other physical processes,especially in autumn.Therefore,the U-Net model can be used to capture the connections among these key physical processes associated with Arctic sea ice and thus offers a significant advantage in predicting Arctic SIC.展开更多
Rural domestic sewage treatment is critical for environmental protection.This study defines the spatial pattern of villages from the perspective of rural sewage treatment and develops an integrated decision-making sys...Rural domestic sewage treatment is critical for environmental protection.This study defines the spatial pattern of villages from the perspective of rural sewage treatment and develops an integrated decision-making system to propose a sewage treatment mode and scheme suitable for local conditions.By considering the village spatial layout and terrain factors,a decision tree model of residential density and terrain type was constructed with accuracies of 76.47%and 96.00%,respectively.Combined with binary classification probability unit regression,an appropriate sewage treatment mode for the village was determined with 87.00%accuracy.The Analytic Hierarchy Process(AHP),combined with the Technique for Order Preference(TOPSIS)by Similarity to an Ideal Solution model,formed the basis for optimal treatment process selection under different emission standards.Verification was conducted in 542 villages across three counties of the Inner Mongolia Autonomous Region,focusing on the standard effluent effect(0.3773),low investment cost(0.3196),and high standard effluent effect(0.5115)to determine the best treatment process for the same emission standard under different needs.The annual environmental and carbon emission benefits of sewage treatment in these villages were estimated.This model matches village density,geographic feature,and social development level,and provides scientific support and a theoretical basis for rural sewage treatment decision-making.展开更多
基金supported by the Korea Research Institute for Defense Technology Planning and Advancement(KRIT)grant funded by the Defense Acquisition Program Administration(DAPA)(Grant No.KRIT-CT-23-059)supported by the Korea Basic Science Institute(National Research Facilities and Equipment Center)grant funded by the Ministry of Education(Grant No.2021R1A6C101A449)of the Republic of Korea.
文摘Mg alloys are extremely valuable in the automotive and aerospace industries because of their lightweight properties and excellent machin-ability.The applications in these industries necessitate the accurate prediction of fatigue life under cyclic loading.However,this is challenging for many wrought Mg alloys owing to their pronounced plastic anisotropy.Conventional predictive methods such as the Coffin-Manson equa-tion require manual parameter adjustment for different conditions,thus limiting their applicability.Accordingly,a novel predictive model for low-cycle fatigue(LCF)life that combines machine learning(ML)with an energy-based physical model,referred to as the hybrid ML/E model,is proposed herein.The hybrid ML/E model leverages a substantial hysteresis-loop dataset generated from LCF tests on a rolled AZ31 Mg alloy to effectively predict fatigue life.The proposed approach addresses the inherent challenges of small fatigue datasets,hysteresis-loop perception,and algorithm selection.The hybrid ML/E model demonstrates superior predictive accuracy and robustness in various loading directions,based on validation against conventional methods.The integration of ML and physical principles offers a unified framework for the LCF life prediction of anisotropic materials and represents a significant advancement for industrial applications.
基金supported by the National Natural Science Foundation of China(No.22273038 and No.22033004).
文摘Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex systems.Within the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase systems.This algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of subsystems.We have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental data.The results show that this method can efficiently and accu-rately predict the ECD spectra of these systems.Thus,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.
基金supported by the National Key R&D Program of China(No.2023YFB3712504)the National Natural Science Foundation of China(Nos.22273038,22073043,and 22033004)。
文摘Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc-tion with the domain-based local pair natural orbital(DLPNO)method,has been applied to assess the average binding energies(ABEs)of large benzene clus-ters,specifically(C6H6)13,at the coupled cluster singles and doubles with perturbative triples correction[CCSD(T)]level and the complete basis set(CBS)limit.Utilizing GEBF-DLPNO-CCSD(T)/CBS ABEs as benchmarks,various DFT functionals were evaluated.It was found that several functionals with empirical dispersion correction,including M06-2X-D3,B3LYP-D3(BJ),and PBE-D3(BJ),provide accurate descriptions of the ABEs for(C6H6)13 clusters.Additionally,the M06-2X-D3 functional was used to calculate the ABEs and relative stabili-ties of(C6H6)n clusters for n=11,12,13,14,and 15 revealing that the(C6H6)13 cluster ex-hibits the highest relative stability.These findings align with experimental evidence suggest-ing that n=13 is one of the magic numbers for benzene clusters(C6H6)n,with n≤30.
基金supported by the National Natural Science Foundation of China (Grant No.52279116,Grant No.52109142)the Key projects of the Yalong River Joint Fund of the National Natural Science Foundation of China (Grant No.U1865203)。
文摘Deep high-energy rock masses are susceptible to dynamic and static disasters in underground caverns when stress waves superimpose on them. Scientifically evaluating the stability of surrounding rock mass under such conditions is fundamental for predicting and preventing related hazards. This study combines laboratory dynamic disturbance tests with numerical simulations to analyze changes in the three-dimensional stress state of surrounding rock caused by stress waves. It was found that stress waves not only alter the magnitude of unit stresses but also cause rotation of the principal stress axes. Based on the failure approach index(FAI), a new dynamic response evaluation index for brittle surrounding rock—the Energy Hazard Index(FAI_(E)) is proposed from an energy perspective. This index can derive functional expressions based on different strength criteria, offering good extensibility. Using the Mohr-Coulomb strength criterion as an example, the specific functional expression of FAI_(E) is provided. Comparison with experimental results confirms that the evaluation outcomes align with the dynamic response characteristics of surrounding rock mass, simultaneously considering both tensile and shear failure modes. Parameter sensitivity tests demonstrate the applicability of the index under complex conditions. Furthermore, the relationship between FAIE and commonly used dynamic disturbance evaluation parameters—such as Peak Particle Velocity(PPV)—has been examined, demonstrating that FAIE provides a more accurate and direct assessment of stability. Finally, a rapid engineering application method for FAIE is presented. The research findings hold significant importance for future stability evaluation and support design of surrounding rock in deep underground engineering projects.
文摘We propose an energy-based stochastic model of wireless sensor networks (WSNs) where each sensor node is randomly and alternatively in an active and a sleep mode. We first investigate the sensor model and derive the formula of the steady-state probability when there are a number of data packets in different sensor modes. We then determine important sensor’s performance measures in terms of energy consumptions, average data delay and throughput. The novelty of this paper is in its development of a stochastic model in WSN with active/sleep feature and the explicit results obtained for above mentioned energy consumption and performance characteristics. These results are expected to be useful as the fundamental results in the theoretical analysis and design of various hybrid WSNs with power mode consideration.
文摘The maximum entropy principle(MEP) is one of the first methods which have been used to predict droplet size and velocity distributions of liquid sprays. This method needs a mean droplets diameter as an input to predict the droplet size distribution. This paper presents a new sub-model based on the deterministic aspects of liquid atomization process independent of the experimental data to provide the mean droplets diameter for using in the maximum entropy formulation(MEF). For this purpose, a theoretical model based on the approach of energy conservation law entitled energy-based model(EBM) is presented. Based on this approach, atomization occurs due to the kinetic energy loss. Prediction of the combined model(MEF/EBM) is in good agreement with the available experimental data. The energy-based model can be used as a fast and reliable enough model to obtain a good estimation of the mean droplets diameter of a spray and the combined model(MEF/EBM) can be used to well predict the droplet size distribution at the primary breakup.
文摘Model evaluation using benchmark datasets is an important method to measure the capability of large language models(LLMs)in specific domains,and it is mainly used to assess the knowledge and reasoning abilities of LLMs.Therefore,in order to better assess the capability of LLMs in the agricultural domain,Agri-Eval was proposed as a benchmark for assessing the knowledge and reasoning ability of LLMs in agriculture.The assessment dataset used in Agri-Eval covered seven major disciplines in the agricultural domain:crop science,horticulture,plant protection,animal husbandry,forest science,aquaculture science,and grass science,and contained a total of 2283 questions.Among domestic general-purpose LLMs,DeepSeek R1 performed best with an accuracy rate of 75.49%.In the realm of international general-purpose LLMs,Gemini 2.0 pro exp 0205 standed out as the top performer,achieving an accuracy rate of 74.28%.As an LLMs in agriculture vertical,Shennong V2.0 outperformed all the LLMs in China,and the answer accuracy rate of agricultural knowledge exceeded that of all the existing general-purpose LLMs.The launch of Agri-Eval helped the LLM developers to comprehensively evaluate the model's capability in the field of agriculture through a variety of tasks and tests to promote the development of the LLMs in the field of agriculture.
基金Supported by the National Natural Science Foundation of China(12261018)Universities Key Laboratory of Mathematical Modeling and Data Mining in Guizhou Province(2023013)。
文摘In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asymptotic stability of the trivial solution and the positive periodic solution.Finally,numerical simulations are presented to validate our results.Our results show that age-selective harvesting is more conducive to sustainable population survival than non-age-selective harvesting.
基金the World Climate Research Programme(WCRP),Climate Variability and Predictability(CLIVAR),and Global Energy and Water Exchanges(GEWEX)for facilitating the coordination of African monsoon researchsupport from the Center for Earth System Modeling,Analysis,and Data at the Pennsylvania State Universitythe support of the Office of Science of the U.S.Department of Energy Biological and Environmental Research as part of the Regional&Global Model Analysis(RGMA)program area。
文摘In recent years,there has been an increasing need for climate information across diverse sectors of society.This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and change.Likewise,this period has seen a significant increase in our understanding of the physical processes and mechanisms that drive precipitation and its variability across different regions of Africa.By leveraging a large volume of climate model outputs,numerous studies have investigated the model representation of African precipitation as well as underlying physical processes.These studies have assessed whether the physical processes are well depicted and whether the models are fit for informing mitigation and adaptation strategies.This paper provides a review of the progress in precipitation simulation overAfrica in state-of-the-science climate models and discusses the major issues and challenges that remain.
文摘Utilizing finite element analysis,the ballistic protection provided by a combination of perforated D-shaped and base armor plates,collectively referred to as radiator armor,is evaluated.ANSYS Explicit Dynamics is employed to simulate the ballistic impact of 7.62 mm armor-piercing projectiles on Aluminum AA5083-H116 and Steel Secure 500 armors,focusing on the evaluation of material deformation and penetration resistance at varying impact points.While the D-shaped armor plate is penetrated by the armor-piercing projectiles,the combination of the perforated D-shaped and base armor plates successfully halts penetration.A numerical model based on the finite element method is developed using software such as SolidWorks and ANSYS to analyze the interaction between radiator armor and bullet.The perforated design of radiator armor is to maintain airflow for radiator function,with hole sizes smaller than the bullet core diameter to protect radiator assemblies.Predictions are made regarding the brittle fracture resulting from the projectile core′s bending due to asymmetric impact,and the resulting fragments failed to penetrate the perforated base armor plate.Craters are formed on the surface of the perforated D-shaped armor plate due to the impact of projectile fragments.The numerical model accurately predicts hole growth and projectile penetration upon impact with the armor,demonstrating effective protection of the radiator assemblies by the radiator armor.
基金supported by the CAS Pioneer Hundred Talents Program and Second Tibetan Plateau Scientific Expedition Research Program(2019QZKK0708)as well as the Basic Research Program of Qinghai Province:Lithospheric Geomagnetic Field of the Qinghai‒Tibet Plateau and the Relationship with Strong Earthquakes(2021-ZJ-969Q).
文摘The National Geophysical Data Center(NGDC)of the United States has collected aeromagnetic data for input into a series of geomagnetic models to improve model resolution;however,in the Tibetan Plateau region,ground-based observations remain insufficient to clearly reflect the characteristics of the region’s lithospheric magnetism.In this study,we evaluate the lithospheric magnetism of the Tibetan Plateau by using a 3D surface spline model based on observations from>200 newly constructed repeat stations(portable stations)to determine the spatial distribution of plateau geomagnetism,as well as its correlation with the tectonic features of the region.We analyze the relationships between M≥5 earthquakes and lithospheric magnetic field variations on the Tibetan Plateau and identify regions susceptible to strong earthquakes.We compare the geomagnetic results with those from an enhanced magnetic model(EMM2015)developed by the NGDC and provide insights into improving lithospheric magnetic field calculations in the Tibetan Plateau region.Further research reveals that these magnetic anomalies exhibit distinct differences from the magnetic-seismic correlation mechanisms observed in other tectonic settings;here,they are governed primarily by the combined effects of compressional magnetism,thermal magnetism,and deep thermal stress.This study provides new evidence of geomagnetic anomalies on the Tibetan Plateau,interprets them physically,and demonstrates their potential for identifying seismic hazard zones on the Plateau.
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 No.12272018)the National Key Basic Research Project(2022JCJQZD20600).
文摘Kinetic impact is the most practical planetary-defense technique,with momentum-transfer efficiency central to deflection design.We present a Monte Carlo photometric framework that couples ejecta sampling,dynamical evolution,and image synthesis to compare directly with HST,LICIACube,ground-based and Lucy observations of the DART impact.Decomposing ejecta into(1)a highvelocity(~1600 m/s)plume exhibiting Na/K resonance,(2)a low-velocity(~1 m/s)conical component shaped by binary gravity and solar radiation pressure,and(3)meter-scale boulders,we quantify each component’s mass and momentum.Fitting photometric decay curves and morphological evolution yields size-velocity distributions and,via scaling laws,estimates of Dimorphos’bulk density,cratering parameters,and cohesive strength that agree with dynamical constraints.Photometric ejecta modeling therefore provides a robust route to constrain momentum enhancement and target properties,improving predictive capability for kinetic-deflection missions.
文摘Customer churn is the rate at which customers discontinue doing business with a company over a given time period.It is an essential measure for businesses to monitor high churn rates,as they often indicate underlying issues with services,products,or customer experience,resulting in considerable income loss.Prediction of customer churn is a crucial task aimed at retaining customers and maintaining revenue growth.Traditional machine learning(ML)models often struggle to capture complex temporal dependencies in client behavior data.To address this,an optimized deep learning(DL)approach using a Regularized Bidirectional Long Short-Term Memory(RBiLSTM)model is proposed to mitigate overfitting and improve generalization error.The model integrates dropout,L2-regularization,and early stopping to enhance predictive accuracy while preventing over-reliance on specific patterns.Moreover,this study investigates the effect of optimization techniques on boosting the training efficiency of the developed model.Experimental results on a recent public customer churn dataset demonstrate that the trained model outperforms the traditional ML models and some other DL models,such as Long Short-Term Memory(LSTM)and Deep Neural Network(DNN),in churn prediction performance and stability.The proposed approach achieves 96.1%accuracy,compared with LSTM and DNN,which attain 94.5%and 94.1%accuracy,respectively.These results confirm that the proposed approach can be used as a valuable tool for businesses to identify at-risk consumers proactively and implement targeted retention strategies.
基金funded by the Office of the Vice-President for Research and Development of Cebu Technological University.
文摘This study demonstrates a novel integration of large language models,machine learning,and multicriteria decision-making to investigate self-moderation in small online communities,a topic under-explored compared to user behavior and platform-driven moderation on social media.The proposed methodological framework(1)utilizes large language models for social media post analysis and categorization,(2)employs k-means clustering for content characterization,and(3)incorporates the TODIM(Tomada de Decisão Interativa Multicritério)method to determine moderation strategies based on expert judgments.In general,the fully integrated framework leverages the strengths of these intelligent systems in a more systematic evaluation of large-scale decision problems.When applied in social media moderation,this approach promotes nuanced and context-sensitive self-moderation by taking into account factors such as cultural background and geographic location.The application of this framework is demonstrated within Facebook groups.Eight distinct content clusters encompassing safety,harassment,diversity,and misinformation are identified.Analysis revealed a preference for content removal across all clusters,suggesting a cautious approach towards potentially harmful content.However,the framework also highlights the use of other moderation actions,like account suspension,depending on the content category.These findings contribute to the growing body of research on self-moderation and offer valuable insights for creating safer and more inclusive online spaces within smaller communities.
基金financially supported by the National Key Research and Development Program of China (No. 2023YFB3812601)the National Natural Science Foundation of China (No. 51925401)the Young Elite Scientists Sponsorship Program by CAST, China (No. 2022QNRC001)。
文摘Machine learning-assisted methods for rapid and accurate prediction of temperature field,mushy zone,and grain size were proposed for the heating−cooling combined mold(HCCM)horizontal continuous casting of C70250 alloy plates.First,finite element simulations of casting processes were carried out with various parameters to build a dataset.Subsequently,different machine learning algorithms were employed to achieve high precision in predicting temperature fields,mushy zone locations,mushy zone inclination angle,and billet grain size.Finally,the process parameters were quickly optimized using a strategy consisting of random generation,prediction,and screening,allowing the mushy zone to be controlled to the desired target.The optimized parameters are 1234℃for heating mold temperature,47 mm/min for casting speed,and 10 L/min for cooling water flow rate.The optimized mushy zone is located in the middle of the second heat insulation section and has an inclination angle of roughly 7°.
基金supported by the National Natural Science Foundation of China(Nos.42107420,U23A20157,and U1910207)Shanxi Province Science Foundation for Young Scholars(No.20210302124363).
文摘Vegetation plays an important role in the environmental transport behavior of organic pollutants,however,the different roles of crops and natural vegetation have been ignored in most previous studies.In this study,we developed the BETR-Urban-Rural-Veg model to quantitatively evaluate the influences of both natural vegetation and crops on the multimedia transport processes of Phenanthrene(PHE)and Benzo(a)pyrene(BaP)in mainland of China.The geographic distribution of polycyclic aromatic hydrocarbon(PAH)emissions and concentrations were consistent,displaying higher levels in northern China while lower levels in southern China.Under seasonal simulations,for both natural vegetation and crops,PAH concentrations in winter and spring were 1.5 to 27-fold higher than in summer and autumn,especially for PHE.Owing to the higher leaf area index(LAI)of natural vegetation and harvesting of crops,the filter and sequestration effect of natural vegetation was stronger than crops,while the seasonal changes of PAH concentrations in crops were more significant than natural vegetation.Temperature,precipitation rates and LAI might have important influences on seasonal concentrations and overall persistence of PAHs.PHE was more sensitive to the impacts of seasonal environmental parameters.Under different landscape scenarios,average annual PAH concentrations in natural vegetation were always a little higher than those in crops,and the overall persistence of BaP was greatly affected increasing by 15.15%-16.47%.This improved model provides a useful tool for environmental management.The results of this study are expected to support land use plans and decision-making in China's mainland.
基金supported by the National Key Research and Development Program of China[grant number 2022YFE0106800]an Innovation Group Project of the Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai)[grant number 311024001]+3 种基金a project supported by the Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai)[grant number SML2023SP209]a Research Council of Norway funded project(MAPARC)[grant number 328943]a Nansen Center´s basic institutional funding[grant number 342624]the high-performance computing support from the School of Atmospheric Science at Sun Yat-sen University。
文摘Current shipping,tourism,and resource development requirements call for more accurate predictions of the Arctic sea-ice concentration(SIC).However,due to the complex physical processes involved,predicting the spatiotemporal distribution of Arctic SIC is more challenging than predicting its total extent.In this study,spatiotemporal prediction models for monthly Arctic SIC at 1-to 3-month leads are developed based on U-Net-an effective convolutional deep-learning approach.Based on explicit Arctic sea-ice-atmosphere interactions,11 variables associated with Arctic sea-ice variations are selected as predictors,including observed Arctic SIC,atmospheric,oceanic,and heat flux variables at 1-to 3-month leads.The prediction skills for the monthly Arctic SIC of the test set(from January 2018 to December 2022)are evaluated by examining the mean absolute error(MAE)and binary accuracy(BA).Results showed that the U-Net model had lower MAE and higher BA for Arctic SIC compared to two dynamic climate prediction systems(CFSv2 and NorCPM).By analyzing the relative importance of each predictor,the prediction accuracy relies more on the SIC at the 1-month lead,but on the surface net solar radiation flux at 2-to 3-month leads.However,dynamic models show limited prediction skills for surface net solar radiation flux and other physical processes,especially in autumn.Therefore,the U-Net model can be used to capture the connections among these key physical processes associated with Arctic sea ice and thus offers a significant advantage in predicting Arctic SIC.
基金supported by the Central Government Guiding Local Science and Technology Development Fund Project(No.2024SZY0343)the Joint Research Program for Ecological Conservation and High Quality Development of the Yellow River Basin(No.2022-YRUC-01-050205)+2 种基金the Higher Education Scientific Research Project of Inner Mongolia Autonomous Region(No.NJZZ23078)the project of Inner Mongolia"Prairie Talents"Engineering Innovation Entrepreneurship Talent Team,the Major Projects of Erdos Science and Technology(No.2022EEDSKJZDZX015)the Innovation Team of the Inner Mongolia Academy of Science and Technology(No.CXTD2023-01-016).
文摘Rural domestic sewage treatment is critical for environmental protection.This study defines the spatial pattern of villages from the perspective of rural sewage treatment and develops an integrated decision-making system to propose a sewage treatment mode and scheme suitable for local conditions.By considering the village spatial layout and terrain factors,a decision tree model of residential density and terrain type was constructed with accuracies of 76.47%and 96.00%,respectively.Combined with binary classification probability unit regression,an appropriate sewage treatment mode for the village was determined with 87.00%accuracy.The Analytic Hierarchy Process(AHP),combined with the Technique for Order Preference(TOPSIS)by Similarity to an Ideal Solution model,formed the basis for optimal treatment process selection under different emission standards.Verification was conducted in 542 villages across three counties of the Inner Mongolia Autonomous Region,focusing on the standard effluent effect(0.3773),low investment cost(0.3196),and high standard effluent effect(0.5115)to determine the best treatment process for the same emission standard under different needs.The annual environmental and carbon emission benefits of sewage treatment in these villages were estimated.This model matches village density,geographic feature,and social development level,and provides scientific support and a theoretical basis for rural sewage treatment decision-making.
