The India-Asia collision resulted in the formation of Qinghai-Tibet Plateau.Lower crustal flow model was proposed to explain the mechanism of Cenozoic tectonic deformation of Qinghai-Tibet Plateau.In this study,we pro...The India-Asia collision resulted in the formation of Qinghai-Tibet Plateau.Lower crustal flow model was proposed to explain the mechanism of Cenozoic tectonic deformation of Qinghai-Tibet Plateau.In this study,we propose a new approach by combining centrifugal analog modeling with numerical simulation to simulate the tectonic uplift history of the plateau based on the lower crustal flow model,and to investigate the material migration characteristics and the influence of crustal motion velocity and ductile layer viscosity on the plateau tectonic geomorphology.The models reproduce steep-sided flat-topped geomorphic features and clockwise rotation of the material at eastern Himalayan Syntaxis,verifying the rationality of the models.The results show that the greater the crustal motion velocity and the greater the ductile layer viscosity,the steeper the terrain change;and conversely,the smaller the crustal motion velocity and the smaller the ductile layer viscosity,the gentler the terrain change.This study further indicates that the weak lower crust plays an important role in the formation of geomorphic features and material migration characteristics of Qinghai-Tibet Plateau,and provides a new insight for the study of the uplift mechanism of the Tibetan Plateau.展开更多
The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-ti...The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.展开更多
In the converter steelmaking process,the flow dynamics is closely related to the refractory lining structure of the bath,such as hearth height-to-diameter(H/D)ratio and lining erosion at different campaign stages.The ...In the converter steelmaking process,the flow dynamics is closely related to the refractory lining structure of the bath,such as hearth height-to-diameter(H/D)ratio and lining erosion at different campaign stages.The step of pre-processing in computational fluid dynamics(CFD)simulation is time-consuming for different lining structures,and usually takes around a week per case using the traditional direct modeling method.A parametric modeling tool has been developed to quickly generate various converter structures with quality structured grids within seconds,based on Python and OpenFOAM software.CFD simulations were established and validated using hydraulic modeling to investigate the flow dynamics and lining erosion characteristics in a 100 t top–bottom combined blowing converter under different H/D ratios and campaign stages(initial,middle,and late).The results show that the average molten bath velocity is positively correlated with bath depth.An increase in bath depth extends the path length for kinetic energy transfer of combined blowing gas streams.Excessively large bath depth or diameter will deteriorate the flow pattern and result into corresponding dead zones.Furnace wall and bottom erosion intensifies at higher H/D ratios but decreases in the late campaign stages.The H/D ratio of 1.67 is recommended in the initial design stage considering the flow characteristics.In the late campaign stage,increasing the bottom-blowing flow rate and carrying out furnace maintenance operations are recommended to maintain metallurgical efficiency and lining safety.展开更多
In view of the frequent deterioration of molten steel quality during the tundish filling process,the slag-steel-air interface behavior in a tundish,including liquid level fluctuation,slag eyes,slag entrapment and air ...In view of the frequent deterioration of molten steel quality during the tundish filling process,the slag-steel-air interface behavior in a tundish,including liquid level fluctuation,slag eyes,slag entrapment and air suction during the steady-state casting and filling process,was comparatively studied through physical modeling and mathematical simulation methods.During the filling process,the liquid surface forms a large-size slag eye under the impact of molten steel from a ladle shroud,which simultaneously results in a violent fluctuation of liquid level.Concurrently,the liquid flow entrains the air phase and the cover slag into the tundish impact zone,resulting in slag entrapment and air suction.At filling flow rates of 1.5Q,2.0Q,and 2.5Q(Q is the flow rate under steady-state casting),the amount of slag entrapped is 8.39×10^(-5),9.65×10^(-5),and 12.7×10^(-5)m^(3),respectively,while the volume of air aspirated is 0.84×10^(-4),1.47×10^(-4),and 2.01×10^(-4)m^(3),indicating that slag entrapment and air suction intensify with an increase in tundish filling flow rate.Flow field characterization identifies eddy currents in the impact zone as the primary driver of the above phenomena.Proper filling process parameters were proposed to improve the steel quality during the tundish filling.展开更多
Automation and intelligence have become the primary trends in the design of investment casting processes.However,the design of gating and riser systems still lacks precise quantitative evaluation criteria.Numerical si...Automation and intelligence have become the primary trends in the design of investment casting processes.However,the design of gating and riser systems still lacks precise quantitative evaluation criteria.Numerical simulation plays a significant role in quantitatively evaluating current processes and making targeted improvements,but its limitations lie in the inability to dynamically reflect the formation outcomes of castings under varying process conditions,making real-time adjustments to gating and riser designs challenging.In this study,an automated design model for gating and riser systems based on integrated parametric 3D modeling-simulation framework is proposed,which enhances the flexibility and usability of evaluating the casting process by simulation.Firstly,geometric feature extraction technology is employed to obtain the geometric information of the target casting.Based on this information,an automated design framework for gating and riser systems is established,incorporating multiple structural parameters for real-time process control.Subsequently,the simulation results for various structural parameters are analyzed,and the influence of these parameters on casting formation is thoroughly investigated.Finally,the optimal design scheme is generated and validated through experimental verification.Simulation analysis and experimental results show that using a larger gate neck(24 mm in side length) and external risers promotes a more uniform temperature distribution and a more stable flow state,effectively eliminating shrinkage cavities and enhancing process yield by 15%.展开更多
We develop and implement a Stochastic Discrete Event Simulation(SDES)algorithm to model the housing re-covery trajectory after an extreme event.The algorithm models discrete events and their underlying uncertainties i...We develop and implement a Stochastic Discrete Event Simulation(SDES)algorithm to model the housing re-covery trajectory after an extreme event.The algorithm models discrete events and their underlying uncertainties in each construction phase.Specifically,the algorithm is developed for the Government Assisted Owner Driven(GAOD)reconstruction system to simulate long-term recovery trajectory.SDES,as a flexible modeling approach,can simulate any housing recovery scenario that follows phased reconstruction.The 2015 M 7.8 Gorkha earthquake sequence in Nepal is considered the extreme event,with 796,245 buildings requiring reconstruction.We present some recovery trajectories from severely hit,crisis hit,and earthquake hit parishes,comparing them with the actual reconstruction progress.We also assess quality and improvement of reconstructed buildings using seismic fragility functions,compared to pre-earthquake constructions.Housing recovery uncertainties are dissected in relation to reconstruction pace.We conclude that the vast majority of the reconstructed buildings followed the Build Back Better(BBB)approach and missed the opportunity to pursue the Build Back Resilient(BBR)approach due to multifaceted challenges ranging from unclear policies to economic constraints.We critically assess the GAOD vs Owner Driven(OD)recovery framework and conclude that insurance-supported and technically assisted OD approach could be the most suitable model for post extreme event housing recovery.展开更多
Coordinating urban development with the protection of water resources is a serious global challenge faced by countries worldwide.This study constructed the coupled Water Ecological Security Pattern-Future Land Use Sim...Coordinating urban development with the protection of water resources is a serious global challenge faced by countries worldwide.This study constructed the coupled Water Ecological Security Pattern-Future Land Use Simulation(WESP-FLUS) model by integrating methods for identifying water–ecological sensitive areas and simulating land use type changes.Taking the Lanzhou-Baiyin metropolitan area in arid region of northwestern China as a case study,this research simulated land use patterns in 2030 under four development scenarios(natural development,urban economic optimization,ecological conservation priority,and urban-water coordinated development scenarios).The results identified 109.81 km^(2) of water–ecological source areas and 43 water–ecological corridors with a total length of 1255.4 km.Predicted land use patterns for 2030 displayed diverse trends,constrained by water–ecological sensitive areas across different scenarios,with urban built-up land mainly expanding radially around the central urban axis.The urban-water coordinated development scenario was the optimal solution that meets both urban development needs and water–ecological protection objectives.The urban built-up land could reach 546.68 km2 in 2030,representing a 91.39 km^(2) increase compared to 2020.This study aims to improve spatial planning methods under the “determining cities by water” concept,scientifically supporting territorial spatial planning and providing theoretical support for the coupling of urban development and natural environment in water-scarce arid regions.展开更多
Aiming at the issues of poor scalability,single training modes,and missing platform foundation in current parachute training simulation systems,a method for a parachute training simulation system supporting the"1...Aiming at the issues of poor scalability,single training modes,and missing platform foundation in current parachute training simulation systems,a method for a parachute training simulation system supporting the"1+N+N"mode is proposed by building a flexible functional structure design based on four domains and two systems architecture,which can adapt to multiple working modes such as"1+N"and"1+N(*)".This method can effectively save the cost and time of upgrading and expanding system capacity,greatly increasing the lifespan and availability of the system.展开更多
This study develops a surrogate super-resolution(SR)framework that accelerates finite element method(FEM)-based computational fluid dynamics(CFD)using deep learning.High-resolution(HR)FEM-based CFDremains computationa...This study develops a surrogate super-resolution(SR)framework that accelerates finite element method(FEM)-based computational fluid dynamics(CFD)using deep learning.High-resolution(HR)FEM-based CFDremains computationally prohibitive for time-sensitive applications,including patient-specific aneurysm hemodynamics where rapid turnaround is valuable.The proposed pipeline learns to reconstruct HR velocity-magnitude fields fromlow-resolution(LR)FEM solutions generated under the same governing equations and boundary conditions.It consistsof three modules:(i)offline pre-training of a residual network on representative vascular geometries;(ii)lightweightfine-tuning to adapt the pretrained model to geometric variability,including patient-specific aneurysm morphologies;and(iii)an unstructured-to-structured sampling strategy with region-of-interest upsampling that concentrates resolution in flow-critical zones(e.g.,the aneurysm sac)rather than the full domain.This targeted reconstruction substantiallyreduces inference and post-processing cost while preserving key HR flow features.Experiments on cerebral aneurysmmodels show that HR velocity-magnitude fields can be recovered with accuracy comparable to direct HR simulationsat less than 1%of the direct HR simulation cost per analysis(LR simulation and SR inference),while adaptation to newgeometries requires only lightweight fine-tuning with limited target-specific HR data.While clinical endpoints andadditional variables(e.g.,pressure or wall-based metrics)are left for future work,the results indicate that the proposedsurrogate SR approach can streamline FEM-based CFD workflows toward near real-time hemodynamic analysis acrossmorphologically similar vascular models.展开更多
The stochastic extended finite-fault simulation method(EXSIM)is a widely used tool in seismological research,with applications in ground motion prediction and simulation,seismic hazard analysis,and engineering studies...The stochastic extended finite-fault simulation method(EXSIM)is a widely used tool in seismological research,with applications in ground motion prediction and simulation,seismic hazard analysis,and engineering studies.However,recent studies have revealed a significant limitation:EXSIM tends to overpredict ground motions in the low-to-intermediate frequency range,particularly for large thrust earthquakes that are often characterized by a double-corner-frequency source model.To address this issue and enhance simulation accuracy,this study introduces two key improvements:(1)a novel asperity-distributed stress-drop composite fault model and(2)a hybrid application of EXSIM with the composite fault model.The proposed method is validated through its application to the 2013 M_(w)6.7 Lushan earthquake that occurred in China and six thrust earthquakes with an M_(w)≥6.5 in Japan.By comparing the simulated ground motions with recorded data,the results demonstrate that the improved method achieves consistent accuracy across the high-and low-frequency spectrum(combined goodness-of-fit:CGOF<0.35).This study significantly broadens the applicability of stochastic finite-fault simulations,enabling more reliable predictions for a wider range of seismic scenarios,including complex thrust faulting events.展开更多
Understanding the structure of coal is helpful to understand the diverse reactivity of coal at a molecular scale and offer support for clean and effective utilization of coal.The physical properties of a typical coal ...Understanding the structure of coal is helpful to understand the diverse reactivity of coal at a molecular scale and offer support for clean and effective utilization of coal.The physical properties of a typical coal from east of Ningxia were characterized by some analysis methods such as elemental analysis,FT-IR,XPS,and ^(13)C NMR.And the key parameters of the microstructure of the coal sample were obtained such as the type,valence and chemical bond and so on.The molecular composition of coal has been established as C_(202)H_(153)O_(38)N_(3)S_(2),and a three-dimensional representation of its molecular structure was created.The molecular dynamics approach utilizing reactive force fields was employed to model the process of coal gasification.The influence of reaction force fields and temperature on coal gasification process were investigated,and the main small molecule products in different atmospheres were tracked.It was indicated that the consumption and consumption rate of raw coal and the production of primary products increased with increasing of the temperature.All carbon elements in coal were converted into fragments with less than three carbon atoms at the H_(2)O atmosphere and 3500-4000 K,and the C_(1) content can reach 97.73% at 4000 K.It was proved indirectly that the gasification reaction process had been completed.In mixed atmospheres,the gasification condition closest to industrial scenarios was 500H_(2)O + 1500CO_(2),yielding a CO/H_(2) ratio of 3.52,matching actual outcomes.Molecular dynamics simulation of gasification process based on coal macromolecules is conducive to reveal gasification reaction mechanism.展开更多
The global rise in energy demand, particularly in remote and sparsely populated regions, necessitates innovative and cost-effective electrical distribution solutions. Traditional Rural Electrification (RE) methods, li...The global rise in energy demand, particularly in remote and sparsely populated regions, necessitates innovative and cost-effective electrical distribution solutions. Traditional Rural Electrification (RE) methods, like Conventional Rural Electrification (CRE), have proven economically unfeasible in such areas due to high infrastructure costs and low electricity demand. Consequently, Unconventional Rural Electrification (URE) technologies, such as Capacitor Coupled Substations (CCS), are gaining attention as viable alternatives. This study presents the design and simulation of an 80 kW CCS system, which taps power directly from a 132 kV transmission line to supply low-voltage consumers. The critical components of the CCS, the capacitors are calculated, then a MATLAB/Simulink model with the attained results is executed. Mathematical representation and state-space representation for maintaining the desired tapped voltage area also developed. The research further explores the feasibility and operational performance of this CCS configuration, aiming to address the challenges of rural electrification by offering a sustainable and scalable solution. The results show that the desired value of the tapped voltage can be achieved at any level of High Voltage (HV) with the selection of capacitors that are correctly rated. With an adequately designed control strategy, the research also shows that tapped voltage can be attained under both steady-state and dynamic loads. By leveraging CCS technology, the study demonstrates the potential for delivering reliable electricity to underserved areas, highlighting the system’s practicality and effectiveness in overcoming the limitations of conventional distribution methods.展开更多
Various velocity models have been built for Southeast Qinghai-Xizang Plateau with the purpose of revealing the internal dynamics and estimating local seismic hazards.In this study,we use a 3-D full-waveform modeling p...Various velocity models have been built for Southeast Qinghai-Xizang Plateau with the purpose of revealing the internal dynamics and estimating local seismic hazards.In this study,we use a 3-D full-waveform modeling package to systematically validate three published continental-scale velocity models,that is,Shen2016,FWEA18,and USTClitho1.0,leveraging the ample datasets in Southeast Qinghai-Xizang Plateau region.Travel time residuals and waveform similarities are measured between observed empirical Green’s functions and synthetic waveforms.The results show that the Shen2016 model,derived from traditional surface wave tomography,performs best in fitting Rayleigh waves in the Southeast Qinghai-Xizang Plateau,followed by FWEA18,built from full-waveform inversion of long-period body and surface waves.The USTClitho1.0 model,although inverted from body wave datasets,is comparable with FWEA18 in fitting Rayleigh waves.The results also show that all the models are faster than the ground-truth model and show relatively large travel-time residuals and poor waveform similarities at shorter period bands,possibly caused by small-scale structural heterogeneities in the shallower crust.We further invert the time residuals for spatial velocity residuals and reveal that all three models underestimate the amplitudes of high-and low-velocity anomalies.The underestimated amplitude is up to 4%,which is non-negligible considering that the overall amplitude of anomalies is only 5%−10%in the crust.These results suggest that datasets and the inversion method are both essential to building accurate models and further refinements of these models are necessary.展开更多
The nozzle is a critical component responsible for generating most of the net thrust in a scramjet engine.The quality of its design directly affects the performance of the entire propulsion system.However,most turbule...The nozzle is a critical component responsible for generating most of the net thrust in a scramjet engine.The quality of its design directly affects the performance of the entire propulsion system.However,most turbulence models struggle to make accurate predictions for subsonic and supersonic flows in nozzles.In this study,we explored a novel model,the algebraic stress model k-kL-ARSM+J,to enhance the accuracy of turbulence numerical simulations.This new model was used to conduct numerical simulations of the design and off-design performance of a 3D supersonic asymmetric truncated nozzle designed in our laboratory,with the aim of providing a realistic pattern of changes.The research indicates that,compared to linear eddy viscosity turbulence models such as k-kL and shear stress transport(SST),the k-kL-ARSM+J algebraic stress model shows better accuracy in predicting the performance of supersonic nozzles.Its predictions were identical to the experimental values,enabling precise calculations of the nozzle.The performance trends of the nozzle are as follows:as the inlet Mach number increases,both thrust and pitching moment increase,but the rate of increase slows down.Lift peaks near the design Mach number and then rapidly decreases.With increasing inlet pressure,the nozzle thrust,lift,and pitching moment all show linear growth.As the flight altitude rises,the internal flow field within the nozzle remains relatively consistent due to the same supersonic nozzle inlet flow conditions.However,external to the nozzle,the change in external flow pressure results in the nozzle exit transitioning from over-expanded to under-expanded,leading to a shear layer behind the nozzle that initially converges towards the nozzle center and then diverges.展开更多
This paper investigates the impact of the model top and damping layer on the numerical simulation of tropical cyclones(TCs)and reveals the significant role of stratospheric gravity waves(SGWs).TCs can generate SGWs,wh...This paper investigates the impact of the model top and damping layer on the numerical simulation of tropical cyclones(TCs)and reveals the significant role of stratospheric gravity waves(SGWs).TCs can generate SGWs,which propagate upward and outward into the stratosphere.These SGWs can reach the damping layer,which is a consequence of the numerical scheme employed,where they can affect the tangential circulation through the dragging and forcing processes.In models with a higher top boundary,this tangential circulation develops far from the TC and has minimal direct impact on TC intensity.By comparison,in models with a lower top(e.g.,20 km),the damping layer is located just above the top of the TC.The SGW dragging in the damping layer and the consequent tangential force can thus induce ascent outside the eyewall,promote latent heat release,tilt the eyewall,and enlarge the inner-core radius.This process will reduce inner-core vorticity advection within the boundary layer,and eventually inhibits the intensification of the TC.This suggests that when the thickness of the damping layer is 5 km,the TC numerical model top height should be at least higher than 20 km to generate more accurate simulations.展开更多
The multi-scale modeling combined with the cohesive zone model(CZM)and the molecular dynamics(MD)method were preformed to simulate the crack propagation in NiTi shape memory alloys(SMAs).The metallographic microscope ...The multi-scale modeling combined with the cohesive zone model(CZM)and the molecular dynamics(MD)method were preformed to simulate the crack propagation in NiTi shape memory alloys(SMAs).The metallographic microscope and image processing technology were employed to achieve a quantitative grain size distribution of NiTi alloys so as to provide experimental data for molecular dynamics modeling at the atomic scale.Considering the size effect of molecular dynamics model on material properties,a reasonable modeling size was provided by taking into account three characteristic dimensions from the perspective of macro,meso,and micro scales according to the Buckinghamπtheorem.Then,the corresponding MD simulation on deformation and fracture behavior was investigated to derive a parameterized traction-separation(T-S)law,and then it was embedded into cohesive elements of finite element software.Thus,the crack propagation behavior in NiTi alloys was reproduced by the finite element method(FEM).The experimental results show that the predicted initiation fracture toughness is in good agreement with experimental data.In addition,it is found that the dynamics initiation fracture toughness increases with decreasing grain size and increasing loading velocity.展开更多
Coal underground gasification(UCG)transforms the physical extraction of coal into the chemical extraction of gas,which is effective for exploiting deep coal deposits.Numerical simulation technology for UCG is a crucia...Coal underground gasification(UCG)transforms the physical extraction of coal into the chemical extraction of gas,which is effective for exploiting deep coal deposits.Numerical simulation technology for UCG is a crucial tool for studying the complex processes involved in coal gasification.This study was conducted to determine the direction in which UCG numerical simulation is developing,specifically by reviewing the research progress and achievements made in this area and identifying the existing problems and future research directions.The findings indicate the following:(1)Research has focused on the reaction issues of coal underground gasification,considering mass and heat transfer effects and gasification cavity expansion.Chemical equilibrium,gasification block,packed bed,and gasification channel models have been developed,which have certain advantages in solving gasification reaction problems influenced by cavity structure and reasonable simplifications capable of describing local issues.(2)The dynamic description of gasification cavity structures is a challenging problem that UCG numerical simulation needs to address.The cavity expansion mechanism includes thermochemical consumption,coal spalling,roof collapse,and debris accumulation.Thermochemical consumption causes the mechanical properties of coal and rock to change,leading to spalling under stress.(3)Process models emphasize dynamic simulations of the gasification process,including cavity evolution and gasification products.The reactor combination model,continuous medium equivalent model,and multimodule integration model are primarily used.(4)Future UCG numerical simulation technology development will prioritize modularity,systematization,and intelligence.There is an urgent need to facilitate the chemical reaction kinetics of large coal blocks,the coupling of discontinuous media,and the integration of multifunctional systems,including that of numerical simulation technology with artificial intelligence.With continuous improvements,numerical simulation technology will play a greater technical supporting role in UCG industrialization.展开更多
Purpose:The major limitation of tumor microwave ablation(MWA)operation is the lack of predictability of the ablation zone before surgery.Operators rely on their individual experience to select a treatment plan,which i...Purpose:The major limitation of tumor microwave ablation(MWA)operation is the lack of predictability of the ablation zone before surgery.Operators rely on their individual experience to select a treatment plan,which is prone to either inadequate or excessive ablation.This paper aims to establish an ablation prediction model that guides MWA tumor surgical planning.Methods:An MWA process was first simulated by incorporating electromagnetic radiation equations,thermal equations,and optimized biological tissue parameters(dynamic dielectric and thermophysical parameters).The temperature distributions(the short/long diameters,and the total volume of the ablation zone)were then generated and verified by 60 cases ex vivo porcine liver experiments.Subsequently,a series of data were obtained from the simulated temperature distributions and to further fit the novel ablation coagulated area prediction model(ACAPM),thus rendering the ablation-dose table for the guiding surgical plan.The MWA clinical patient data and clinical devices suggested data were used to validate the accuracy and practicability of the established predicted model.Results:The 60 cases ex vivo porcine liver experiments demonstrated the accuracy of the simulated temperature distributions.Compared to traditional simulation methods,our approach reduces the long-diameter error of the ablation zone from 1.1 cm to 0.29 cm,achieving a 74%reduction in error.Further,the clinical data including the patients'operation results and devices provided values were consistent well with our predicated data,indicating the great potential of ACAPM to assist preoperative planning.展开更多
Shale gas serves as a significant strategic successor resource for future oil and gas reserves and production in China.Thus,a profound understanding of the adsorption mechanism of shale gas in shale reservoirs is cruc...Shale gas serves as a significant strategic successor resource for future oil and gas reserves and production in China.Thus,a profound understanding of the adsorption mechanism of shale gas in shale reservoirs is crucial to accurately predict and evaluate shale gas reserves.In this study,we utilized two simulation methods,molecular dynamics simulation and Giant Canonical Monte Carlo simulation to examine the adsorption characteristics of kerogen under varying temperature and pressure conditions.We compared the results under identical temperature and pressure conditions for different mineral-kerogen composite models.Moreover,we examined the effects of temperature,pressure,and mineral species on the kerogen adsorption mechanism.The results indicate that shale formations with high organic matter content and a substantial proportion of non-clay inorganic minerals,as well as those subjected to higher temperature and pressure conditions than the shallow layer,possess a greater capacity to accommodate shale gas.This study examined the adsorption mechanism of methane in shale gas using different mineral-kerogen composite models.The findings of this study provide more accurate guidance and support for efficient development of shale gas.展开更多
基金supported by Excellent Research Group Project for Multiphase Evolution in Hyper-Gravity of the National Natural Science Foundation of China(No.52588202)。
文摘The India-Asia collision resulted in the formation of Qinghai-Tibet Plateau.Lower crustal flow model was proposed to explain the mechanism of Cenozoic tectonic deformation of Qinghai-Tibet Plateau.In this study,we propose a new approach by combining centrifugal analog modeling with numerical simulation to simulate the tectonic uplift history of the plateau based on the lower crustal flow model,and to investigate the material migration characteristics and the influence of crustal motion velocity and ductile layer viscosity on the plateau tectonic geomorphology.The models reproduce steep-sided flat-topped geomorphic features and clockwise rotation of the material at eastern Himalayan Syntaxis,verifying the rationality of the models.The results show that the greater the crustal motion velocity and the greater the ductile layer viscosity,the steeper the terrain change;and conversely,the smaller the crustal motion velocity and the smaller the ductile layer viscosity,the gentler the terrain change.This study further indicates that the weak lower crust plays an important role in the formation of geomorphic features and material migration characteristics of Qinghai-Tibet Plateau,and provides a new insight for the study of the uplift mechanism of the Tibetan Plateau.
基金supported by the Advanced Materials-National Science and Technology Major Project(Grant No.2025ZD0618401)the National Natural Science Foundation of China(Grant No.12504285)+1 种基金the Natural Science Foundation of Jiangsu Province(Grant No.BK20250472)NFSG grant from BITS-Pilani,Dubai campus。
文摘The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.
基金fundings of National Natural Science Foundation of China(No.52374322)Baowu Group are highly appreciated.
文摘In the converter steelmaking process,the flow dynamics is closely related to the refractory lining structure of the bath,such as hearth height-to-diameter(H/D)ratio and lining erosion at different campaign stages.The step of pre-processing in computational fluid dynamics(CFD)simulation is time-consuming for different lining structures,and usually takes around a week per case using the traditional direct modeling method.A parametric modeling tool has been developed to quickly generate various converter structures with quality structured grids within seconds,based on Python and OpenFOAM software.CFD simulations were established and validated using hydraulic modeling to investigate the flow dynamics and lining erosion characteristics in a 100 t top–bottom combined blowing converter under different H/D ratios and campaign stages(initial,middle,and late).The results show that the average molten bath velocity is positively correlated with bath depth.An increase in bath depth extends the path length for kinetic energy transfer of combined blowing gas streams.Excessively large bath depth or diameter will deteriorate the flow pattern and result into corresponding dead zones.Furnace wall and bottom erosion intensifies at higher H/D ratios but decreases in the late campaign stages.The H/D ratio of 1.67 is recommended in the initial design stage considering the flow characteristics.In the late campaign stage,increasing the bottom-blowing flow rate and carrying out furnace maintenance operations are recommended to maintain metallurgical efficiency and lining safety.
基金support from National Natural Science Foundation of China(Grant No.51874033)to Prof.Hai-Yan Tang.
文摘In view of the frequent deterioration of molten steel quality during the tundish filling process,the slag-steel-air interface behavior in a tundish,including liquid level fluctuation,slag eyes,slag entrapment and air suction during the steady-state casting and filling process,was comparatively studied through physical modeling and mathematical simulation methods.During the filling process,the liquid surface forms a large-size slag eye under the impact of molten steel from a ladle shroud,which simultaneously results in a violent fluctuation of liquid level.Concurrently,the liquid flow entrains the air phase and the cover slag into the tundish impact zone,resulting in slag entrapment and air suction.At filling flow rates of 1.5Q,2.0Q,and 2.5Q(Q is the flow rate under steady-state casting),the amount of slag entrapped is 8.39×10^(-5),9.65×10^(-5),and 12.7×10^(-5)m^(3),respectively,while the volume of air aspirated is 0.84×10^(-4),1.47×10^(-4),and 2.01×10^(-4)m^(3),indicating that slag entrapment and air suction intensify with an increase in tundish filling flow rate.Flow field characterization identifies eddy currents in the impact zone as the primary driver of the above phenomena.Proper filling process parameters were proposed to improve the steel quality during the tundish filling.
基金financially supported by the National Key Research and Development Program of China (2022YFB3706802)。
文摘Automation and intelligence have become the primary trends in the design of investment casting processes.However,the design of gating and riser systems still lacks precise quantitative evaluation criteria.Numerical simulation plays a significant role in quantitatively evaluating current processes and making targeted improvements,but its limitations lie in the inability to dynamically reflect the formation outcomes of castings under varying process conditions,making real-time adjustments to gating and riser designs challenging.In this study,an automated design model for gating and riser systems based on integrated parametric 3D modeling-simulation framework is proposed,which enhances the flexibility and usability of evaluating the casting process by simulation.Firstly,geometric feature extraction technology is employed to obtain the geometric information of the target casting.Based on this information,an automated design framework for gating and riser systems is established,incorporating multiple structural parameters for real-time process control.Subsequently,the simulation results for various structural parameters are analyzed,and the influence of these parameters on casting formation is thoroughly investigated.Finally,the optimal design scheme is generated and validated through experimental verification.Simulation analysis and experimental results show that using a larger gate neck(24 mm in side length) and external risers promotes a more uniform temperature distribution and a more stable flow state,effectively eliminating shrinkage cavities and enhancing process yield by 15%.
文摘We develop and implement a Stochastic Discrete Event Simulation(SDES)algorithm to model the housing re-covery trajectory after an extreme event.The algorithm models discrete events and their underlying uncertainties in each construction phase.Specifically,the algorithm is developed for the Government Assisted Owner Driven(GAOD)reconstruction system to simulate long-term recovery trajectory.SDES,as a flexible modeling approach,can simulate any housing recovery scenario that follows phased reconstruction.The 2015 M 7.8 Gorkha earthquake sequence in Nepal is considered the extreme event,with 796,245 buildings requiring reconstruction.We present some recovery trajectories from severely hit,crisis hit,and earthquake hit parishes,comparing them with the actual reconstruction progress.We also assess quality and improvement of reconstructed buildings using seismic fragility functions,compared to pre-earthquake constructions.Housing recovery uncertainties are dissected in relation to reconstruction pace.We conclude that the vast majority of the reconstructed buildings followed the Build Back Better(BBB)approach and missed the opportunity to pursue the Build Back Resilient(BBR)approach due to multifaceted challenges ranging from unclear policies to economic constraints.We critically assess the GAOD vs Owner Driven(OD)recovery framework and conclude that insurance-supported and technically assisted OD approach could be the most suitable model for post extreme event housing recovery.
基金supported by the National Natural Science Foundation of China (42471230)。
文摘Coordinating urban development with the protection of water resources is a serious global challenge faced by countries worldwide.This study constructed the coupled Water Ecological Security Pattern-Future Land Use Simulation(WESP-FLUS) model by integrating methods for identifying water–ecological sensitive areas and simulating land use type changes.Taking the Lanzhou-Baiyin metropolitan area in arid region of northwestern China as a case study,this research simulated land use patterns in 2030 under four development scenarios(natural development,urban economic optimization,ecological conservation priority,and urban-water coordinated development scenarios).The results identified 109.81 km^(2) of water–ecological source areas and 43 water–ecological corridors with a total length of 1255.4 km.Predicted land use patterns for 2030 displayed diverse trends,constrained by water–ecological sensitive areas across different scenarios,with urban built-up land mainly expanding radially around the central urban axis.The urban-water coordinated development scenario was the optimal solution that meets both urban development needs and water–ecological protection objectives.The urban built-up land could reach 546.68 km2 in 2030,representing a 91.39 km^(2) increase compared to 2020.This study aims to improve spatial planning methods under the “determining cities by water” concept,scientifically supporting territorial spatial planning and providing theoretical support for the coupling of urban development and natural environment in water-scarce arid regions.
文摘Aiming at the issues of poor scalability,single training modes,and missing platform foundation in current parachute training simulation systems,a method for a parachute training simulation system supporting the"1+N+N"mode is proposed by building a flexible functional structure design based on four domains and two systems architecture,which can adapt to multiple working modes such as"1+N"and"1+N(*)".This method can effectively save the cost and time of upgrading and expanding system capacity,greatly increasing the lifespan and availability of the system.
文摘This study develops a surrogate super-resolution(SR)framework that accelerates finite element method(FEM)-based computational fluid dynamics(CFD)using deep learning.High-resolution(HR)FEM-based CFDremains computationally prohibitive for time-sensitive applications,including patient-specific aneurysm hemodynamics where rapid turnaround is valuable.The proposed pipeline learns to reconstruct HR velocity-magnitude fields fromlow-resolution(LR)FEM solutions generated under the same governing equations and boundary conditions.It consistsof three modules:(i)offline pre-training of a residual network on representative vascular geometries;(ii)lightweightfine-tuning to adapt the pretrained model to geometric variability,including patient-specific aneurysm morphologies;and(iii)an unstructured-to-structured sampling strategy with region-of-interest upsampling that concentrates resolution in flow-critical zones(e.g.,the aneurysm sac)rather than the full domain.This targeted reconstruction substantiallyreduces inference and post-processing cost while preserving key HR flow features.Experiments on cerebral aneurysmmodels show that HR velocity-magnitude fields can be recovered with accuracy comparable to direct HR simulationsat less than 1%of the direct HR simulation cost per analysis(LR simulation and SR inference),while adaptation to newgeometries requires only lightweight fine-tuning with limited target-specific HR data.While clinical endpoints andadditional variables(e.g.,pressure or wall-based metrics)are left for future work,the results indicate that the proposedsurrogate SR approach can streamline FEM-based CFD workflows toward near real-time hemodynamic analysis acrossmorphologically similar vascular models.
基金National Key Research and Development Program of China under Grant No.2022YFC3003601National Natural Science Foundation of China under Grant No.52478570+1 种基金Heilongjiang Provincial Natural Science Foundation Outstanding Youth Program under Grant No.J020245002the Key Research and Development Program of Xinjiang Production and Construction Corps under Grant No.2024AB077。
文摘The stochastic extended finite-fault simulation method(EXSIM)is a widely used tool in seismological research,with applications in ground motion prediction and simulation,seismic hazard analysis,and engineering studies.However,recent studies have revealed a significant limitation:EXSIM tends to overpredict ground motions in the low-to-intermediate frequency range,particularly for large thrust earthquakes that are often characterized by a double-corner-frequency source model.To address this issue and enhance simulation accuracy,this study introduces two key improvements:(1)a novel asperity-distributed stress-drop composite fault model and(2)a hybrid application of EXSIM with the composite fault model.The proposed method is validated through its application to the 2013 M_(w)6.7 Lushan earthquake that occurred in China and six thrust earthquakes with an M_(w)≥6.5 in Japan.By comparing the simulated ground motions with recorded data,the results demonstrate that the improved method achieves consistent accuracy across the high-and low-frequency spectrum(combined goodness-of-fit:CGOF<0.35).This study significantly broadens the applicability of stochastic finite-fault simulations,enabling more reliable predictions for a wider range of seismic scenarios,including complex thrust faulting events.
基金supported by the National Natural Science Foundation of China (U21A20319)the National Discipline Construction Project of Ningxia (NXYLXK2017A04)。
文摘Understanding the structure of coal is helpful to understand the diverse reactivity of coal at a molecular scale and offer support for clean and effective utilization of coal.The physical properties of a typical coal from east of Ningxia were characterized by some analysis methods such as elemental analysis,FT-IR,XPS,and ^(13)C NMR.And the key parameters of the microstructure of the coal sample were obtained such as the type,valence and chemical bond and so on.The molecular composition of coal has been established as C_(202)H_(153)O_(38)N_(3)S_(2),and a three-dimensional representation of its molecular structure was created.The molecular dynamics approach utilizing reactive force fields was employed to model the process of coal gasification.The influence of reaction force fields and temperature on coal gasification process were investigated,and the main small molecule products in different atmospheres were tracked.It was indicated that the consumption and consumption rate of raw coal and the production of primary products increased with increasing of the temperature.All carbon elements in coal were converted into fragments with less than three carbon atoms at the H_(2)O atmosphere and 3500-4000 K,and the C_(1) content can reach 97.73% at 4000 K.It was proved indirectly that the gasification reaction process had been completed.In mixed atmospheres,the gasification condition closest to industrial scenarios was 500H_(2)O + 1500CO_(2),yielding a CO/H_(2) ratio of 3.52,matching actual outcomes.Molecular dynamics simulation of gasification process based on coal macromolecules is conducive to reveal gasification reaction mechanism.
文摘The global rise in energy demand, particularly in remote and sparsely populated regions, necessitates innovative and cost-effective electrical distribution solutions. Traditional Rural Electrification (RE) methods, like Conventional Rural Electrification (CRE), have proven economically unfeasible in such areas due to high infrastructure costs and low electricity demand. Consequently, Unconventional Rural Electrification (URE) technologies, such as Capacitor Coupled Substations (CCS), are gaining attention as viable alternatives. This study presents the design and simulation of an 80 kW CCS system, which taps power directly from a 132 kV transmission line to supply low-voltage consumers. The critical components of the CCS, the capacitors are calculated, then a MATLAB/Simulink model with the attained results is executed. Mathematical representation and state-space representation for maintaining the desired tapped voltage area also developed. The research further explores the feasibility and operational performance of this CCS configuration, aiming to address the challenges of rural electrification by offering a sustainable and scalable solution. The results show that the desired value of the tapped voltage can be achieved at any level of High Voltage (HV) with the selection of capacitors that are correctly rated. With an adequately designed control strategy, the research also shows that tapped voltage can be attained under both steady-state and dynamic loads. By leveraging CCS technology, the study demonstrates the potential for delivering reliable electricity to underserved areas, highlighting the system’s practicality and effectiveness in overcoming the limitations of conventional distribution methods.
基金supported by the Special Fund of the Institute of Geophysics,China Earthquake Administration(Nos.DQJB23R28 and DQJB22K40)the National Natural Science Foundation of China(Nos.42304078,U1839210 and 42104043).
文摘Various velocity models have been built for Southeast Qinghai-Xizang Plateau with the purpose of revealing the internal dynamics and estimating local seismic hazards.In this study,we use a 3-D full-waveform modeling package to systematically validate three published continental-scale velocity models,that is,Shen2016,FWEA18,and USTClitho1.0,leveraging the ample datasets in Southeast Qinghai-Xizang Plateau region.Travel time residuals and waveform similarities are measured between observed empirical Green’s functions and synthetic waveforms.The results show that the Shen2016 model,derived from traditional surface wave tomography,performs best in fitting Rayleigh waves in the Southeast Qinghai-Xizang Plateau,followed by FWEA18,built from full-waveform inversion of long-period body and surface waves.The USTClitho1.0 model,although inverted from body wave datasets,is comparable with FWEA18 in fitting Rayleigh waves.The results also show that all the models are faster than the ground-truth model and show relatively large travel-time residuals and poor waveform similarities at shorter period bands,possibly caused by small-scale structural heterogeneities in the shallower crust.We further invert the time residuals for spatial velocity residuals and reveal that all three models underestimate the amplitudes of high-and low-velocity anomalies.The underestimated amplitude is up to 4%,which is non-negligible considering that the overall amplitude of anomalies is only 5%−10%in the crust.These results suggest that datasets and the inversion method are both essential to building accurate models and further refinements of these models are necessary.
基金supported by the Zhejiang Provincial Key Research and Development Program of China(No.2020C01020).
文摘The nozzle is a critical component responsible for generating most of the net thrust in a scramjet engine.The quality of its design directly affects the performance of the entire propulsion system.However,most turbulence models struggle to make accurate predictions for subsonic and supersonic flows in nozzles.In this study,we explored a novel model,the algebraic stress model k-kL-ARSM+J,to enhance the accuracy of turbulence numerical simulations.This new model was used to conduct numerical simulations of the design and off-design performance of a 3D supersonic asymmetric truncated nozzle designed in our laboratory,with the aim of providing a realistic pattern of changes.The research indicates that,compared to linear eddy viscosity turbulence models such as k-kL and shear stress transport(SST),the k-kL-ARSM+J algebraic stress model shows better accuracy in predicting the performance of supersonic nozzles.Its predictions were identical to the experimental values,enabling precise calculations of the nozzle.The performance trends of the nozzle are as follows:as the inlet Mach number increases,both thrust and pitching moment increase,but the rate of increase slows down.Lift peaks near the design Mach number and then rapidly decreases.With increasing inlet pressure,the nozzle thrust,lift,and pitching moment all show linear growth.As the flight altitude rises,the internal flow field within the nozzle remains relatively consistent due to the same supersonic nozzle inlet flow conditions.However,external to the nozzle,the change in external flow pressure results in the nozzle exit transitioning from over-expanded to under-expanded,leading to a shear layer behind the nozzle that initially converges towards the nozzle center and then diverges.
基金supported by the National Natural Science Foundation of China(Grant Nos.42475016,42192555 and 42305085)the China Postdoctoral Science Foundation(Grant No.2023M741615)the 2023 Graduate Research Innovation Project of Hunan Province(Grant No.CX20230011)。
文摘This paper investigates the impact of the model top and damping layer on the numerical simulation of tropical cyclones(TCs)and reveals the significant role of stratospheric gravity waves(SGWs).TCs can generate SGWs,which propagate upward and outward into the stratosphere.These SGWs can reach the damping layer,which is a consequence of the numerical scheme employed,where they can affect the tangential circulation through the dragging and forcing processes.In models with a higher top boundary,this tangential circulation develops far from the TC and has minimal direct impact on TC intensity.By comparison,in models with a lower top(e.g.,20 km),the damping layer is located just above the top of the TC.The SGW dragging in the damping layer and the consequent tangential force can thus induce ascent outside the eyewall,promote latent heat release,tilt the eyewall,and enlarge the inner-core radius.This process will reduce inner-core vorticity advection within the boundary layer,and eventually inhibits the intensification of the TC.This suggests that when the thickness of the damping layer is 5 km,the TC numerical model top height should be at least higher than 20 km to generate more accurate simulations.
基金Funded by the National Natural Science Foundation of China Academy of Engineering Physics and Jointly Setup"NSAF"Joint Fund(No.U1430119)。
文摘The multi-scale modeling combined with the cohesive zone model(CZM)and the molecular dynamics(MD)method were preformed to simulate the crack propagation in NiTi shape memory alloys(SMAs).The metallographic microscope and image processing technology were employed to achieve a quantitative grain size distribution of NiTi alloys so as to provide experimental data for molecular dynamics modeling at the atomic scale.Considering the size effect of molecular dynamics model on material properties,a reasonable modeling size was provided by taking into account three characteristic dimensions from the perspective of macro,meso,and micro scales according to the Buckinghamπtheorem.Then,the corresponding MD simulation on deformation and fracture behavior was investigated to derive a parameterized traction-separation(T-S)law,and then it was embedded into cohesive elements of finite element software.Thus,the crack propagation behavior in NiTi alloys was reproduced by the finite element method(FEM).The experimental results show that the predicted initiation fracture toughness is in good agreement with experimental data.In addition,it is found that the dynamics initiation fracture toughness increases with decreasing grain size and increasing loading velocity.
基金supported by Natural Science Research Project of Yangzhou University Guangling College,China(Grant No.ZKZD25002)Youth Science and Technology Special Project of PetroChina(Grant No.2024DQ03221)Basic Research Project of Institute Research Institute of Exploration and Development,PetroChina(Grant No.101001cq0b52394).
文摘Coal underground gasification(UCG)transforms the physical extraction of coal into the chemical extraction of gas,which is effective for exploiting deep coal deposits.Numerical simulation technology for UCG is a crucial tool for studying the complex processes involved in coal gasification.This study was conducted to determine the direction in which UCG numerical simulation is developing,specifically by reviewing the research progress and achievements made in this area and identifying the existing problems and future research directions.The findings indicate the following:(1)Research has focused on the reaction issues of coal underground gasification,considering mass and heat transfer effects and gasification cavity expansion.Chemical equilibrium,gasification block,packed bed,and gasification channel models have been developed,which have certain advantages in solving gasification reaction problems influenced by cavity structure and reasonable simplifications capable of describing local issues.(2)The dynamic description of gasification cavity structures is a challenging problem that UCG numerical simulation needs to address.The cavity expansion mechanism includes thermochemical consumption,coal spalling,roof collapse,and debris accumulation.Thermochemical consumption causes the mechanical properties of coal and rock to change,leading to spalling under stress.(3)Process models emphasize dynamic simulations of the gasification process,including cavity evolution and gasification products.The reactor combination model,continuous medium equivalent model,and multimodule integration model are primarily used.(4)Future UCG numerical simulation technology development will prioritize modularity,systematization,and intelligence.There is an urgent need to facilitate the chemical reaction kinetics of large coal blocks,the coupling of discontinuous media,and the integration of multifunctional systems,including that of numerical simulation technology with artificial intelligence.With continuous improvements,numerical simulation technology will play a greater technical supporting role in UCG industrialization.
基金supported by the National Major Scientific Instruments and Equipment Development Project Funded by the National Natural Science Foundation of China(81827803)the Jiangsu Province Key Research and Development Program(Social Development)Project(BE2020705).
文摘Purpose:The major limitation of tumor microwave ablation(MWA)operation is the lack of predictability of the ablation zone before surgery.Operators rely on their individual experience to select a treatment plan,which is prone to either inadequate or excessive ablation.This paper aims to establish an ablation prediction model that guides MWA tumor surgical planning.Methods:An MWA process was first simulated by incorporating electromagnetic radiation equations,thermal equations,and optimized biological tissue parameters(dynamic dielectric and thermophysical parameters).The temperature distributions(the short/long diameters,and the total volume of the ablation zone)were then generated and verified by 60 cases ex vivo porcine liver experiments.Subsequently,a series of data were obtained from the simulated temperature distributions and to further fit the novel ablation coagulated area prediction model(ACAPM),thus rendering the ablation-dose table for the guiding surgical plan.The MWA clinical patient data and clinical devices suggested data were used to validate the accuracy and practicability of the established predicted model.Results:The 60 cases ex vivo porcine liver experiments demonstrated the accuracy of the simulated temperature distributions.Compared to traditional simulation methods,our approach reduces the long-diameter error of the ablation zone from 1.1 cm to 0.29 cm,achieving a 74%reduction in error.Further,the clinical data including the patients'operation results and devices provided values were consistent well with our predicated data,indicating the great potential of ACAPM to assist preoperative planning.
基金supported by the National Natural Science Foundation of China(Grant No.42102145)the Science Foundation of China University of Petroleum,Beijing(Grant No.2462022YXZZ007)。
文摘Shale gas serves as a significant strategic successor resource for future oil and gas reserves and production in China.Thus,a profound understanding of the adsorption mechanism of shale gas in shale reservoirs is crucial to accurately predict and evaluate shale gas reserves.In this study,we utilized two simulation methods,molecular dynamics simulation and Giant Canonical Monte Carlo simulation to examine the adsorption characteristics of kerogen under varying temperature and pressure conditions.We compared the results under identical temperature and pressure conditions for different mineral-kerogen composite models.Moreover,we examined the effects of temperature,pressure,and mineral species on the kerogen adsorption mechanism.The results indicate that shale formations with high organic matter content and a substantial proportion of non-clay inorganic minerals,as well as those subjected to higher temperature and pressure conditions than the shallow layer,possess a greater capacity to accommodate shale gas.This study examined the adsorption mechanism of methane in shale gas using different mineral-kerogen composite models.The findings of this study provide more accurate guidance and support for efficient development of shale gas.
