Urban tunnels are generally narrow and fire smoke can hardly diffuse.In the present study,numerical simulation is used to analyze the diffusion of high temperature smoke produced by fire inside a specific tunnel(the K...Urban tunnels are generally narrow and fire smoke can hardly diffuse.In the present study,numerical simulation is used to analyze the diffusion of high temperature smoke produced by fire inside a specific tunnel(the Kaiyuan tunnel).The results are compared with similar data relating to other tests to determine the validity of the numerical method.Moreover,the critical velocity obtained by numerical simulation of 5 MW,20 MW,and 50 MW fires in curved and linear sections of the considered tunnel is compared with the values obtained using empirical formulas.The results show that,for the tunnel ventilation design,it is necessary to consider the fan pressurization at different sections and the fan pressurization should be higher at curved sections than that at linear sections.The safety of personnel escaping under different critical velocity values in the linear section has also been considered.On the basis of our findings,if only relying on natural ventilation,people can escape safely for the case of small fires,whereas for medium and large fires,it is necessary to turn on mechanical ventilation in time(and in order to avoid the danger caused by rapid diffusion of smoke,the timing of mechanical ventilation should be carefully tuned).展开更多
In recent years,three-dimensional reconstruction technologies that employ multiple cameras have continued to evolve significantly,enabling remote collaboration among users in extended Reality(XR)environments.In additi...In recent years,three-dimensional reconstruction technologies that employ multiple cameras have continued to evolve significantly,enabling remote collaboration among users in extended Reality(XR)environments.In addition,methods for deploying multiple cameras for motion capture of users(e.g.,performers)are widely used in computer graphics.As the need to minimize and optimize the number of cameras grows to reduce costs,various technologies and research approaches focused on Optimal Camera Placement(OCP)are continually being proposed.However,as most existing studies assume homogeneous camera setups,there is a growing demand for studies on heterogeneous camera setups.For instance,technical demands keep emerging in scenarios with minimal camera configurations,especially regarding cost factors,the physical placement of cameras given the spatial structure,and image capture strategies for heterogeneous cameras,such as high-resolution RGB cameras and depth cameras.In this study,we propose a pre-visualization and simulation method for the optimal placement of heterogeneous cameras in XR environments,accounting for both the specifications of heterogeneous cameras(e.g.,field of view)and the physical configuration(e.g.,wall configuration)in real-world spaces.The proposed method performs a visibility analysis of cameras by considering each camera’s field-of-view volume,resolution,and unique characteristics,along with physicalspace constraints.This approach enables the optimal position and rotation of each camera to be recommended,along with the minimum number of cameras required.In the results of our study conducted in heterogeneous camera combinations,the proposed method achieved 81.7%~82.7%coverage of the target visual information using only 2~3 cameras.In contrast,single(or homogeneous)-typed cameras were required to use 11 cameras for 81.6%coverage.Accordingly,we found that camera deployment resources can be reduced with the proposed approaches.展开更多
Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted dru...Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted drug delivery.For implants,mechanical properties are key performance characteristics,so understanding the deformation and failure mechanisms is essential for selecting the appropriate implant structure.The deformation and fracture processes in PLA samples with different interior architectures have been studied through computer simulation and experimental research.Two TPMS topologies,the Schwarz Diamond and Gyroid architectures,were used for the sample construction by 3D printing.ANSYS software was utilized to simulate compressive deformation.It was found that under the same load,the vonMises stresses in the Gyroid structure are higher than those in the Schwartz Diamond structure,which was associated with the different orientations of the cells in the studied structures in relation to the direction of the loading axis.The deformation process occurs in the local regions of the studied TPMS structures.Maximum von Mises stresses were observed in the vertical parts of the structures oriented along the load direction.It was found that,unlike the Gyroid,the Schwartz Diamond structure contains a frame that forms unique stiffening ribs,which ensures the redistribution of the load under the vertical loading direction.An analysis of the mechanical characteristics of PLA samples with the Schwartz Diamond and Gyroid structures produced by the Fused Deposition Modeling(FDM)method was correlated with computer simulation.The Schwarz Diamond-type structure was shown to have a higher absorption energy than the Gyroid one.A study of the fracture in PLA samples with various cell sizes revealed a particular feature related to the samples’periodic surface topology and the 3D printing process.Scanning electron microscopic(SEM)studies of the samples deformed by compression showed thatwith an increase in the density of the samples,the failure mechanism changes from ductile to quasi-brittle due to the complex participation of both cell deformation and fiber deformation.展开更多
BACKGROUND Orthopaedic surgical education has traditionally depended on the apprenticeship model of“see one,do one,teach one”.However,reduced operative exposure,stricter work-hour regulations,medicolegal constraints...BACKGROUND Orthopaedic surgical education has traditionally depended on the apprenticeship model of“see one,do one,teach one”.However,reduced operative exposure,stricter work-hour regulations,medicolegal constraints,and patient safety concerns have constrained its practicality.Simulation-based training has become a reliable,safe,and cost-efficient alternative.Dry lab techniques,especially virtual and augmented reality,make up 78%of current dry lab research,whereas wet labs still set the standard for anatomical realism.AIM To evaluate the effectiveness,limitations,and future directions of wet and dry lab simulation in orthopaedic training.METHODS A scoping review was carried out across four databases-PubMed,Cochrane Library,Web of Science,and EBSCOhost-up to 2025.Medical Subject Headings included:"Orthopaedic Education","Wet Lab","Dry Lab","Simulation Training","Virtual Reality",and"Surgical Procedure".Eligible studies focused on orthopaedic or spinal surgical education,employed wet or dry lab techniques,and assessed training effectiveness.Exclusion criteria consisted of non-English publications,abstracts only,non-orthopaedic research,and studies unrelated to simulation.Two reviewers independently screened titles,abstracts,and full texts,resolving discrepancies with a third reviewer.RESULTS From 1851 records,101 studies met inclusion:78 on dry labs,7 on wet labs,4 on both.Virtual reality(VR)simulations were most common,with AI increasingly used for feedback and assessment.Cadaveric training remains the gold standard for accuracy and tactile feedback,while dry labs-especially VR-offer scalability,lower cost(40%-60%savings in five studies),and accessibility for novices.Senior residents prefer wet labs for complex tasks;juniors favour dry labs for basics.Challenges include limited transferability data,lack of standard outcome metrics,and ethical concerns about cadaver use and AI assessment.CONCLUSION Wet and dry labs each have unique strengths in orthopaedic training.A hybrid approach combining both,supported by standardised assessments and outcome studies,is most effective.Future efforts should aim for uniform reporting,integrating new technologies,and policy support for hybrid curricula to enhance skills and patient care.展开更多
The F_(1)-ATPase and V_(1)-ATPase are rotary biomotors.Alignment of their amino acid sequences,which originate from bovine heart mitochondria(1BMF)and Enterococcus hirae(3VR6),respectively,demonstrates that the segmen...The F_(1)-ATPase and V_(1)-ATPase are rotary biomotors.Alignment of their amino acid sequences,which originate from bovine heart mitochondria(1BMF)and Enterococcus hirae(3VR6),respectively,demonstrates that the segment forming the ATP catalytic pocket is highly conserved.Single-molecule experiments,however,have revealed subtle differences in efficiency between the F_(1) and V_(1) motors.Here,we perform both atomistic and coarse-grained molecular dynamics simulations to investigate the mechanochemical coupling and coordination in F_(1) and V_(1) ATPase.Our results show that the correlation between conformational changes in F_(1) is stronger than that in V_(1),indicating that the mechanochemical coupling in F_(1) is tighter than in V_(1).Moreover,the unidirectional rotation of F_(1) is more processive than that of V_(1),which accounts for the higher efficiency observed in F_(1) and explains the occasional backward steps detected in single-molecule experiments on V_(1).展开更多
Ice crystal icing is an important cause of accidents in aircraft engines.Ice formation in aircraft engines can cause internal blades to freeze,affecting the quality of the air flow field and blocking the flow path.On ...Ice crystal icing is an important cause of accidents in aircraft engines.Ice formation in aircraft engines can cause internal blades to freeze,affecting the quality of the air flow field and blocking the flow path.On the other hand,the entry of ice crystal particles into the combustion chamber can cause a decrease in temperature or even flameout,leading to engine surge or shutdown.Therefore,it is necessary to conduct multiphase flow tests on ice crystals for aircraft components such as aircraft engines.Conducting ice crystal multiphase flow tests on aircraft is an effective research method,but it requires the construction of an ice crystal multiphase flow test platform that meets relevant technical requirements.The paper focuses on the relevant experimental requirements and combines wind tunnel test structures to conduct multiphase flow numerical simulations on various forms of jet pipelines,obtaining particle motion distribution results.After comparison,the optimal form of jet structure is obtained,providing the best selection scheme for the design of relevant wind tunnel structures.展开更多
Centrifugal casting of ductile iron pipe is a high-temperature,semi-continuous production process.However,conducting laboratory research on the solidification process of centrifugal casting of ductile iron pipe presen...Centrifugal casting of ductile iron pipe is a high-temperature,semi-continuous production process.However,conducting laboratory research on the solidification process of centrifugal casting of ductile iron pipe presents significant challenges.In this study,a novel research method was introduced for investigating the solidification process of ductile iron pipe,namely thermal simulation of ductile iron pipe.Comparative research was conducted on the microstructure and properties of the thermal simulation sample and the ductile iron pipe.The findings indicate that the thermal simulation sample and ductile iron pipe exhibit good heat transfer similarity and microstructure similarity.The difference of cooling rate between thermal simulation sample and ductile pipe is less than 0.24℃·s^(-1),and the difference of microstructure content of free cementite,ferrite,and pearlite is less than 5%.The tensile strength of annealed ductile iron pipe is 466 MPa,with an elongation of 16.1%and a Brinell hardness of 156.5 HBW.In comparison,the tensile strength of annealed thermal simulation sample is 482.0 MPa,with an elongation of 15.5%and a Brinell hardness of 159.0 HBW.These results suggest that the thermal simulation experimental research method is both scientific and feasible,offering an objective,reliable,and cost-effective approach to laboratory research on ductile iron pipe.展开更多
Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under re...Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under reservoir conditions require further investigation.This study employs Grand Canonical Monte Carlo(GCMC)and Molecular Dynamics(MD)simulations to quantify the adsorption and diffusion behaviors of CO_(2),N_(2),and CH_(4)in quartz nanopores over a pressure range of 1-24 MPa under varying water saturations and gas compositions.The results indicate that:(1)CO_(2)exhibits the broadest energy distribution and the strongest adsorption stability,occupying about 20%-30%more adsorption sites than CH_(4)or N_(2)and showing the least sensitivity to water saturation,with only a 30%reduction at 50%saturation,compared to 60%for CH_(4),giving CO_(2)a clear competitive advantage.(2)The adsorption and desorption behaviors are strongly pressure dependent,as increasing pressure reduces the adsorption layer area and shifts gas distribution from adsorption dominated to free phase.Competitive adsorption analysis reveals that while CO_(2)dominates displacement at low pressures,mixtures that contain N_(2)achieve higher CH_(4)desorption efficiency above 13 MPa by mitigating diffusion resistance.(3)A higher N_(2)fraction improves CH_(4)diffusion coefficients,thereby facilitating gas mobility and ensuring superior recovery performance under high-pressure conditions.This study advances the fundamental knowledge of microscale gas behavior in tight sandstones and supports the feasibility of impure CO_(2)injection as a practical strategy for sustainable gas production.展开更多
Objectives This study aimed to compare the effectiveness of the semi-virtual simulation and traditional simulation teaching models based on the Standards of Best Practice(SOBP)according to the International Nursing As...Objectives This study aimed to compare the effectiveness of the semi-virtual simulation and traditional simulation teaching models based on the Standards of Best Practice(SOBP)according to the International Nursing Association for Clinical Simulation and Learning(INACSL)in the Adult Nursing course.Methods This study used a quasi-experimental design.A total of 94 third-year nursing students from a university in Beijing between November and December 2022 were recruited as participants.An innovative semi-virtual simulation teaching model was designed based on the SOBP established by the INACSL.In the Adult Nursing course,both the semi-virtual and traditional simulation teaching models were implemented.At the end of the simulation sessions,participants completed the Chinese version of the Simulation Effectiveness Tool-Modified(SET-M)to assess the effectiveness of the two teaching models.Results All nursing students completed the simulation sessions.There was no difference(t=−0.93,P=0.353)in the total scores between the semi-virtual simulation teaching model(50.87±5.30)and the traditional simulation teaching model(50.37±5.16).However,there was a statistically significant difference(t=−2.65,P=0.010)in the prebriefing section(semi-virtual simulation:5.60±0.71;traditional simulation:5.33±0.78).In contrast,no statistically significant differences were found for the scenario and debriefing sections(P>0.05).At the individual item level,statistical differences(P<0.05)between the two models were identified for items 1 and 9,but not for the remaining items(P>0.05).By analyzing the open-ended question,it was found that both simulation models were effective,and students’comments were similar.Conclusions The study demonstrated equivalent effectiveness between the semi-virtual and traditional simulation teaching models.Semi-virtual simulation teaching model could offer a more flexible and feasible approach to simulation teaching.展开更多
Hydraulic fracturing serves as a critical technology for reservoir stimulation in deep coalbed methane(CBM)development,where the mechanical properties of gangue layers exert a significant control on fracture propagati...Hydraulic fracturing serves as a critical technology for reservoir stimulation in deep coalbed methane(CBM)development,where the mechanical properties of gangue layers exert a significant control on fracture propagation behavior.To address the unclear mechanisms governing fracture penetration across coal-gangue interfaces,this study employs the Continuum-Discontinuum Element Method(CDEM)to simulate and analyze the vertical propagation of hydraulic fractures initiating within coal seams,based on geomechanical parameters derived from the deep Benxi Formation coal seams in the southeastern Ordos Basin.The investigation systematically examines the influence of geological and operational parameters on cross-interfacial fracture growth.Results demonstrate that vertical stress difference,elastic modulus contrast between coal and gangue layers,interfacial stress differential,and interfacial cohesion at coal-gangue interfaces are critical factors governing hydraulic fracture penetration through these interfaces.High vertical stress differences(>3 MPa)inhibit interfacial dilation,promoting predominant crosslayer fracture propagation.Reduced interfacial stress contrasts and enhanced interfacial cohesion facilitate fracture penetration across interfaces.Furthermore,smaller elastic modulus contrasts between coal and gangue correlate with increased interfacial aperture.Finally,lower injection rates effectively suppress vertical fracture propagation in deep coal reservoirs.This study elucidates the characteristics and mechanisms governing cross-layer fracture propagation in coal–rock composites with interbedded partings,and delineates the dynamic evolution laws and dominant controlling factors involved.Thefindings provide critical theoretical insights for the optimization of fracture design and the efficient development of deep coalbed methane reservoirs.展开更多
The effect of temperature on molten zone length was investigated through simulation to optimize the control of molten zone length during the experimental process. The temperature gradient distribution within the molte...The effect of temperature on molten zone length was investigated through simulation to optimize the control of molten zone length during the experimental process. The temperature gradient distribution within the molten zone during zone refining was simulated using COMSOL Multiphysics software and experimentally validated. The simulated molten zone length showed good agreement with the actual measured length. The experimental study of tellurium purification by zone refining was conducted under the following conditions: three passes of zone refining, a hydrogen flow rate of 0.5 L/min, and molten zone movement speeds of 0.5 and 1.0 mm/min. The results demonstrated that the removal efficiencies of impurities such as Ca and Cu exceeded 95%, while the removal efficiency of phosphorus (P) reached over 70%. And the purity of tellurium reached 6N.展开更多
Marine thin plates are susceptible to welding deformation owing to their low structural stiffness.Therefore,the efficient and accurate prediction of welding deformation is essential for improving welding quality.The t...Marine thin plates are susceptible to welding deformation owing to their low structural stiffness.Therefore,the efficient and accurate prediction of welding deformation is essential for improving welding quality.The traditional thermal elastic-plastic finite element method(TEP-FEM)can accurately predict welding deformation.However,its efficiency is low because of the complex nonlinear transient computation,making it difficult to meet the needs of rapid engineering evaluation.To address this challenge,this study proposes an efficient prediction method for welding deformation in marine thin plate butt welds.This method is based on the coupled temperature gradient-thermal strain method(TG-TSM)that integrates inherent strain theory with a shell element finite element model.The proposed method first extracts the distribution pattern and characteristic value of welding-induced inherent strain through TEP-FEM analysis.This strain is then converted into the equivalent thermal load applied to the shell element model for rapid computation.The proposed method-particularly,the gradual temperature gradient-thermal strain method(GTG-TSM)-achieved improved computational efficiency and consistent precision.Furthermore,the proposed method required much less computation time than the traditional TEP-FEM.Thus,this study lays the foundation for future prediction of welding deformation in more complex marine thin plates.展开更多
Energy shortage has become one of themost concerning issues in the world today,and improving energy utilization efficiency is a key area of research for experts and scholars worldwide.Small-diameter heat exchangers of...Energy shortage has become one of themost concerning issues in the world today,and improving energy utilization efficiency is a key area of research for experts and scholars worldwide.Small-diameter heat exchangers offer advantages such as reduced material usage,lower refrigerant charge,and compact structure.However,they also face challenges,including increased refrigerant pressure drop and smaller heat transfer area inside the tubes.This paper combines the advantages and disadvantages of both small and large-diameter tubes and proposes a combined-diameter heat exchanger,consisting of large and small diameters,for use in the indoor units of split-type air conditioners.There are relatively few studies in this area.In this paper,A theoretical and numerical computation method is employed to establish a theoretical-numerical calculation model,and its reliability is verified through experiments.Using this model,the optimal combined diameters and flow path design for a combined-diameter heat exchanger using R32 as the working fluid are derived.The results show that the heat transfer performance of all combined diameter configurations improves by 2.79%to 8.26%compared to the baseline design,with the coefficient of performance(COP)increasing from 4.15 to 4.27~4.5.These designs can save copper material,but at the cost of an increase in pressure drop by 66.86%to 131.84%.The scheme IIIH,using R32,is the optimal combined-diameter and flow path configuration that balances both heat transfer performance and economic cost.展开更多
UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechani...UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength.展开更多
Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This st...Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This study evaluates the carbon footprint(CF)and economic viability of a liquefied natural gas(LNG)-fueled fishing vessel,using real engine operation simulations to provide precise and dynamic evaluation of fuel consumption and GHG emissions.Operational profiles are obtained through the utilization of onboard monitoring systems,whereas engine performance is simulated using the 1D/0D AVL Boost^(TM)model.Life cycle assessment(LCA)is conducted to quantify the environmental impact,whereas life cycle cost assessment(LCCA)is performed to analyze the profitability of LNG as an alternative fuel.The potential impact of the future fuel price uncertainties is addressed using Monte Carlo simulations.The LCA findings indicate that LNG has the potential to reduce the CF of the vessel by 14%to 16%,in comparison to a diesel power system configuration that serves as the baseline scenario.The LCCA results further indicate that the total cost of an LNG-powered ship is lower by 9.5%-13.8%,depending on the share of LNG and pilot fuels.This finding highlights the potential of LNG to produce considerable environmental benefits while addressing economic challenges under diverse operational and fuel price conditions.展开更多
This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SE...This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SEM),which is used to simulate low-frequency ground motion(f<1 Hz)by incorporating an innovative efficient discontinuous Galerkin(DG)method for grid division to accurately model basin sedimentary layers at reduced costs.It also introduces a comprehensive hybrid source model for high-frequency random scattering and a nonlinear analysis module for basin sedimentary layers.Deterministic outcomes are combined with modified three-dimensional stochastic finite fault method(3D-EXSIM)simulations of high-frequency ground motion(f>1 Hz).A fourth-order Butterworth filter with zero phase shift is employed for time-domain filtering of low-and high-frequency time series at a crossover frequency of 1 Hz,merging the low and high-frequency ground motions into a broadband time series.Taking an Ms 6.8 Luding earthquake,as an example,this hybrid method was used for a rapid and efficient simulation analysis of broadband ground motion in the region.The accuracy and efficiency of this hybrid method were verified through comparisons with actually observed station data and empirical attenuation curves.Deterministic method simulation results revealed the effects of mountainous topography,basin effects,nonlinear effects within the basin’s sedimentary layers,and a coupling interaction between the basin and the mountains.The findings are consistent with similar studies,showing that near-fault sedimentary basins significantly focus and amplify strong ground motion,and the soil’s nonlinear behavior in the basin influences ground motion to varying extents at different distances from the fault.The mountainous topography impacts the basin’s response to ground motion,leading to barrier effects.This research provides a scientific foundation for seismic zoning,urban planning,and seismic design in nearfault mountain basin regions.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
Vitrimers belong to a class of polymeric materials capable of bond exchange reactions,showing great promise for environmental protection and sustainable development.However,studies on the coupling mechanism between th...Vitrimers belong to a class of polymeric materials capable of bond exchange reactions,showing great promise for environmental protection and sustainable development.However,studies on the coupling mechanism between the bond exchange kinetics and segmental dynamics near the glass transition temperature(T_(g))remain scarce.Herein,we employed molecular dynamics simulations to investigate the dynamic heterogeneity of the segment motion and bond exchange in vitrimers.The simulation results revealed that the bond exchange energy barrier exerts a much stronger influence on the bond exchange kinetics than on the segmental dynamics.At lower temperatures,slower segmental relaxation further constraind the bond exchange rate.Additionally,increasing the bond exchange energy barrier markedly enhanced the dynamic heterogeneity of segment motion.A close correlation was observed between heterogeneity and bond exchange.This study elucidated the coupling mechanism between bond exchange and segmental dynamics at the molecular scale,thereby providing a theoretical basis for designing vitrimer materials with tunable dynamic properties.展开更多
Based on the porosity method and the improved non uniform QUICK scheme, this paper describes a three dimensional computer simulation to predict the flow characteristics in a tangentially fired boiler. The model is ap...Based on the porosity method and the improved non uniform QUICK scheme, this paper describes a three dimensional computer simulation to predict the flow characteristics in a tangentially fired boiler. The model is applied to a 600?MW boiler modeling under different operating conditions of reverse swirl of secondary air. The numerical results achieve reasonable agreement with experimental data. The calculated results of flow field, the pressure distribution, the relative diameter of tangential circle, angular momentum flux in furnace and the velocity distribution index in horizontal gas pass are analyzed in detail. And then the effects of the reverse swirl of secondary air on flue gas imbalance are discussed. Finally a reasonable operating condition of the reverse swirl of secondary air is presented.展开更多
A fire control system of artillery includes a photo-tracker, a computing subsystem and a servomechanism. The photo-tracker outputs moving characteristics of the target during the tracking process, and basing upon this...A fire control system of artillery includes a photo-tracker, a computing subsystem and a servomechanism. The photo-tracker outputs moving characteristics of the target during the tracking process, and basing upon this, the computing subsystem makes the computation and outputs shooting elements, and the servo-mechanism controls this piece of artillery to point to the foregoing position of its target in terms of the latter elements.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.11372166).
文摘Urban tunnels are generally narrow and fire smoke can hardly diffuse.In the present study,numerical simulation is used to analyze the diffusion of high temperature smoke produced by fire inside a specific tunnel(the Kaiyuan tunnel).The results are compared with similar data relating to other tests to determine the validity of the numerical method.Moreover,the critical velocity obtained by numerical simulation of 5 MW,20 MW,and 50 MW fires in curved and linear sections of the considered tunnel is compared with the values obtained using empirical formulas.The results show that,for the tunnel ventilation design,it is necessary to consider the fan pressurization at different sections and the fan pressurization should be higher at curved sections than that at linear sections.The safety of personnel escaping under different critical velocity values in the linear section has also been considered.On the basis of our findings,if only relying on natural ventilation,people can escape safely for the case of small fires,whereas for medium and large fires,it is necessary to turn on mechanical ventilation in time(and in order to avoid the danger caused by rapid diffusion of smoke,the timing of mechanical ventilation should be carefully tuned).
基金supported by the 2024 Research Fund of University of Ulsan.
文摘In recent years,three-dimensional reconstruction technologies that employ multiple cameras have continued to evolve significantly,enabling remote collaboration among users in extended Reality(XR)environments.In addition,methods for deploying multiple cameras for motion capture of users(e.g.,performers)are widely used in computer graphics.As the need to minimize and optimize the number of cameras grows to reduce costs,various technologies and research approaches focused on Optimal Camera Placement(OCP)are continually being proposed.However,as most existing studies assume homogeneous camera setups,there is a growing demand for studies on heterogeneous camera setups.For instance,technical demands keep emerging in scenarios with minimal camera configurations,especially regarding cost factors,the physical placement of cameras given the spatial structure,and image capture strategies for heterogeneous cameras,such as high-resolution RGB cameras and depth cameras.In this study,we propose a pre-visualization and simulation method for the optimal placement of heterogeneous cameras in XR environments,accounting for both the specifications of heterogeneous cameras(e.g.,field of view)and the physical configuration(e.g.,wall configuration)in real-world spaces.The proposed method performs a visibility analysis of cameras by considering each camera’s field-of-view volume,resolution,and unique characteristics,along with physicalspace constraints.This approach enables the optimal position and rotation of each camera to be recommended,along with the minimum number of cameras required.In the results of our study conducted in heterogeneous camera combinations,the proposed method achieved 81.7%~82.7%coverage of the target visual information using only 2~3 cameras.In contrast,single(or homogeneous)-typed cameras were required to use 11 cameras for 81.6%coverage.Accordingly,we found that camera deployment resources can be reduced with the proposed approaches.
文摘Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted drug delivery.For implants,mechanical properties are key performance characteristics,so understanding the deformation and failure mechanisms is essential for selecting the appropriate implant structure.The deformation and fracture processes in PLA samples with different interior architectures have been studied through computer simulation and experimental research.Two TPMS topologies,the Schwarz Diamond and Gyroid architectures,were used for the sample construction by 3D printing.ANSYS software was utilized to simulate compressive deformation.It was found that under the same load,the vonMises stresses in the Gyroid structure are higher than those in the Schwartz Diamond structure,which was associated with the different orientations of the cells in the studied structures in relation to the direction of the loading axis.The deformation process occurs in the local regions of the studied TPMS structures.Maximum von Mises stresses were observed in the vertical parts of the structures oriented along the load direction.It was found that,unlike the Gyroid,the Schwartz Diamond structure contains a frame that forms unique stiffening ribs,which ensures the redistribution of the load under the vertical loading direction.An analysis of the mechanical characteristics of PLA samples with the Schwartz Diamond and Gyroid structures produced by the Fused Deposition Modeling(FDM)method was correlated with computer simulation.The Schwarz Diamond-type structure was shown to have a higher absorption energy than the Gyroid one.A study of the fracture in PLA samples with various cell sizes revealed a particular feature related to the samples’periodic surface topology and the 3D printing process.Scanning electron microscopic(SEM)studies of the samples deformed by compression showed thatwith an increase in the density of the samples,the failure mechanism changes from ductile to quasi-brittle due to the complex participation of both cell deformation and fiber deformation.
文摘BACKGROUND Orthopaedic surgical education has traditionally depended on the apprenticeship model of“see one,do one,teach one”.However,reduced operative exposure,stricter work-hour regulations,medicolegal constraints,and patient safety concerns have constrained its practicality.Simulation-based training has become a reliable,safe,and cost-efficient alternative.Dry lab techniques,especially virtual and augmented reality,make up 78%of current dry lab research,whereas wet labs still set the standard for anatomical realism.AIM To evaluate the effectiveness,limitations,and future directions of wet and dry lab simulation in orthopaedic training.METHODS A scoping review was carried out across four databases-PubMed,Cochrane Library,Web of Science,and EBSCOhost-up to 2025.Medical Subject Headings included:"Orthopaedic Education","Wet Lab","Dry Lab","Simulation Training","Virtual Reality",and"Surgical Procedure".Eligible studies focused on orthopaedic or spinal surgical education,employed wet or dry lab techniques,and assessed training effectiveness.Exclusion criteria consisted of non-English publications,abstracts only,non-orthopaedic research,and studies unrelated to simulation.Two reviewers independently screened titles,abstracts,and full texts,resolving discrepancies with a third reviewer.RESULTS From 1851 records,101 studies met inclusion:78 on dry labs,7 on wet labs,4 on both.Virtual reality(VR)simulations were most common,with AI increasingly used for feedback and assessment.Cadaveric training remains the gold standard for accuracy and tactile feedback,while dry labs-especially VR-offer scalability,lower cost(40%-60%savings in five studies),and accessibility for novices.Senior residents prefer wet labs for complex tasks;juniors favour dry labs for basics.Challenges include limited transferability data,lack of standard outcome metrics,and ethical concerns about cadaver use and AI assessment.CONCLUSION Wet and dry labs each have unique strengths in orthopaedic training.A hybrid approach combining both,supported by standardised assessments and outcome studies,is most effective.Future efforts should aim for uniform reporting,integrating new technologies,and policy support for hybrid curricula to enhance skills and patient care.
基金supported by the National Natural Science Foundation of China(Grant Nos.22193032 and 32401033)the Research Fund of Wenzhou Institute,Chinese Academy of Sciences(Grant Nos.WIUCASQD2020009,WIUCASQD2023005,XSZD2024004,2021HZSY0061,and WIUCASICTP2022)。
文摘The F_(1)-ATPase and V_(1)-ATPase are rotary biomotors.Alignment of their amino acid sequences,which originate from bovine heart mitochondria(1BMF)and Enterococcus hirae(3VR6),respectively,demonstrates that the segment forming the ATP catalytic pocket is highly conserved.Single-molecule experiments,however,have revealed subtle differences in efficiency between the F_(1) and V_(1) motors.Here,we perform both atomistic and coarse-grained molecular dynamics simulations to investigate the mechanochemical coupling and coordination in F_(1) and V_(1) ATPase.Our results show that the correlation between conformational changes in F_(1) is stronger than that in V_(1),indicating that the mechanochemical coupling in F_(1) is tighter than in V_(1).Moreover,the unidirectional rotation of F_(1) is more processive than that of V_(1),which accounts for the higher efficiency observed in F_(1) and explains the occasional backward steps detected in single-molecule experiments on V_(1).
文摘Ice crystal icing is an important cause of accidents in aircraft engines.Ice formation in aircraft engines can cause internal blades to freeze,affecting the quality of the air flow field and blocking the flow path.On the other hand,the entry of ice crystal particles into the combustion chamber can cause a decrease in temperature or even flameout,leading to engine surge or shutdown.Therefore,it is necessary to conduct multiphase flow tests on ice crystals for aircraft components such as aircraft engines.Conducting ice crystal multiphase flow tests on aircraft is an effective research method,but it requires the construction of an ice crystal multiphase flow test platform that meets relevant technical requirements.The paper focuses on the relevant experimental requirements and combines wind tunnel test structures to conduct multiphase flow numerical simulations on various forms of jet pipelines,obtaining particle motion distribution results.After comparison,the optimal form of jet structure is obtained,providing the best selection scheme for the design of relevant wind tunnel structures.
基金financially supported by the National Natural Science Foundation of China(52130109)。
文摘Centrifugal casting of ductile iron pipe is a high-temperature,semi-continuous production process.However,conducting laboratory research on the solidification process of centrifugal casting of ductile iron pipe presents significant challenges.In this study,a novel research method was introduced for investigating the solidification process of ductile iron pipe,namely thermal simulation of ductile iron pipe.Comparative research was conducted on the microstructure and properties of the thermal simulation sample and the ductile iron pipe.The findings indicate that the thermal simulation sample and ductile iron pipe exhibit good heat transfer similarity and microstructure similarity.The difference of cooling rate between thermal simulation sample and ductile pipe is less than 0.24℃·s^(-1),and the difference of microstructure content of free cementite,ferrite,and pearlite is less than 5%.The tensile strength of annealed ductile iron pipe is 466 MPa,with an elongation of 16.1%and a Brinell hardness of 156.5 HBW.In comparison,the tensile strength of annealed thermal simulation sample is 482.0 MPa,with an elongation of 15.5%and a Brinell hardness of 159.0 HBW.These results suggest that the thermal simulation experimental research method is both scientific and feasible,offering an objective,reliable,and cost-effective approach to laboratory research on ductile iron pipe.
基金supported by the National Natural Science Foundation of China(Grant No.U23A2022)the National Natural Science Foundation of China(Grant No.52474047)+2 种基金the Natural Science Foundation of Chongqing(Grant No.CSTB2024NSCQ-MSX0951)the Natural Science Foundation of Sichuan Province(Grant No.2025ZNSFSC1357)the National Science and Technology Major Project(Grant No.2025ZD1404307).
文摘Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under reservoir conditions require further investigation.This study employs Grand Canonical Monte Carlo(GCMC)and Molecular Dynamics(MD)simulations to quantify the adsorption and diffusion behaviors of CO_(2),N_(2),and CH_(4)in quartz nanopores over a pressure range of 1-24 MPa under varying water saturations and gas compositions.The results indicate that:(1)CO_(2)exhibits the broadest energy distribution and the strongest adsorption stability,occupying about 20%-30%more adsorption sites than CH_(4)or N_(2)and showing the least sensitivity to water saturation,with only a 30%reduction at 50%saturation,compared to 60%for CH_(4),giving CO_(2)a clear competitive advantage.(2)The adsorption and desorption behaviors are strongly pressure dependent,as increasing pressure reduces the adsorption layer area and shifts gas distribution from adsorption dominated to free phase.Competitive adsorption analysis reveals that while CO_(2)dominates displacement at low pressures,mixtures that contain N_(2)achieve higher CH_(4)desorption efficiency above 13 MPa by mitigating diffusion resistance.(3)A higher N_(2)fraction improves CH_(4)diffusion coefficients,thereby facilitating gas mobility and ensuring superior recovery performance under high-pressure conditions.This study advances the fundamental knowledge of microscale gas behavior in tight sandstones and supports the feasibility of impure CO_(2)injection as a practical strategy for sustainable gas production.
文摘Objectives This study aimed to compare the effectiveness of the semi-virtual simulation and traditional simulation teaching models based on the Standards of Best Practice(SOBP)according to the International Nursing Association for Clinical Simulation and Learning(INACSL)in the Adult Nursing course.Methods This study used a quasi-experimental design.A total of 94 third-year nursing students from a university in Beijing between November and December 2022 were recruited as participants.An innovative semi-virtual simulation teaching model was designed based on the SOBP established by the INACSL.In the Adult Nursing course,both the semi-virtual and traditional simulation teaching models were implemented.At the end of the simulation sessions,participants completed the Chinese version of the Simulation Effectiveness Tool-Modified(SET-M)to assess the effectiveness of the two teaching models.Results All nursing students completed the simulation sessions.There was no difference(t=−0.93,P=0.353)in the total scores between the semi-virtual simulation teaching model(50.87±5.30)and the traditional simulation teaching model(50.37±5.16).However,there was a statistically significant difference(t=−2.65,P=0.010)in the prebriefing section(semi-virtual simulation:5.60±0.71;traditional simulation:5.33±0.78).In contrast,no statistically significant differences were found for the scenario and debriefing sections(P>0.05).At the individual item level,statistical differences(P<0.05)between the two models were identified for items 1 and 9,but not for the remaining items(P>0.05).By analyzing the open-ended question,it was found that both simulation models were effective,and students’comments were similar.Conclusions The study demonstrated equivalent effectiveness between the semi-virtual and traditional simulation teaching models.Semi-virtual simulation teaching model could offer a more flexible and feasible approach to simulation teaching.
文摘Hydraulic fracturing serves as a critical technology for reservoir stimulation in deep coalbed methane(CBM)development,where the mechanical properties of gangue layers exert a significant control on fracture propagation behavior.To address the unclear mechanisms governing fracture penetration across coal-gangue interfaces,this study employs the Continuum-Discontinuum Element Method(CDEM)to simulate and analyze the vertical propagation of hydraulic fractures initiating within coal seams,based on geomechanical parameters derived from the deep Benxi Formation coal seams in the southeastern Ordos Basin.The investigation systematically examines the influence of geological and operational parameters on cross-interfacial fracture growth.Results demonstrate that vertical stress difference,elastic modulus contrast between coal and gangue layers,interfacial stress differential,and interfacial cohesion at coal-gangue interfaces are critical factors governing hydraulic fracture penetration through these interfaces.High vertical stress differences(>3 MPa)inhibit interfacial dilation,promoting predominant crosslayer fracture propagation.Reduced interfacial stress contrasts and enhanced interfacial cohesion facilitate fracture penetration across interfaces.Furthermore,smaller elastic modulus contrasts between coal and gangue correlate with increased interfacial aperture.Finally,lower injection rates effectively suppress vertical fracture propagation in deep coal reservoirs.This study elucidates the characteristics and mechanisms governing cross-layer fracture propagation in coal–rock composites with interbedded partings,and delineates the dynamic evolution laws and dominant controlling factors involved.Thefindings provide critical theoretical insights for the optimization of fracture design and the efficient development of deep coalbed methane reservoirs.
基金financial support from the National Key Research and Development Program of China(No.2023YFC2907904)the National Natural Science Foundation of China(Nos.52374364,52104355,52074363)+1 种基金National Sustainable Development Agenda Innovation Demonstration Zones:Provincial Special“Open Competition”Project in Chenzhou,China(No.2022sfq57)Postdoctoral Innovation Talent Support Program,China(No.BX20230438)。
文摘The effect of temperature on molten zone length was investigated through simulation to optimize the control of molten zone length during the experimental process. The temperature gradient distribution within the molten zone during zone refining was simulated using COMSOL Multiphysics software and experimentally validated. The simulated molten zone length showed good agreement with the actual measured length. The experimental study of tellurium purification by zone refining was conducted under the following conditions: three passes of zone refining, a hydrogen flow rate of 0.5 L/min, and molten zone movement speeds of 0.5 and 1.0 mm/min. The results demonstrated that the removal efficiencies of impurities such as Ca and Cu exceeded 95%, while the removal efficiency of phosphorus (P) reached over 70%. And the purity of tellurium reached 6N.
基金Supported by the National Natural Science Foundation of China under Grant No.51975138the High-Tech Ship Scientific Research Project from the Ministry of Industry and Information Technology under Grant No.CJ05N20the National Defense Basic Research Project under Grant No.JCKY2023604C006.
文摘Marine thin plates are susceptible to welding deformation owing to their low structural stiffness.Therefore,the efficient and accurate prediction of welding deformation is essential for improving welding quality.The traditional thermal elastic-plastic finite element method(TEP-FEM)can accurately predict welding deformation.However,its efficiency is low because of the complex nonlinear transient computation,making it difficult to meet the needs of rapid engineering evaluation.To address this challenge,this study proposes an efficient prediction method for welding deformation in marine thin plate butt welds.This method is based on the coupled temperature gradient-thermal strain method(TG-TSM)that integrates inherent strain theory with a shell element finite element model.The proposed method first extracts the distribution pattern and characteristic value of welding-induced inherent strain through TEP-FEM analysis.This strain is then converted into the equivalent thermal load applied to the shell element model for rapid computation.The proposed method-particularly,the gradual temperature gradient-thermal strain method(GTG-TSM)-achieved improved computational efficiency and consistent precision.Furthermore,the proposed method required much less computation time than the traditional TEP-FEM.Thus,this study lays the foundation for future prediction of welding deformation in more complex marine thin plates.
基金supported by Supported by the Scientific Research Foundation for High-Level Talents of Zhoukou Normal University(ZKNUC2024018).
文摘Energy shortage has become one of themost concerning issues in the world today,and improving energy utilization efficiency is a key area of research for experts and scholars worldwide.Small-diameter heat exchangers offer advantages such as reduced material usage,lower refrigerant charge,and compact structure.However,they also face challenges,including increased refrigerant pressure drop and smaller heat transfer area inside the tubes.This paper combines the advantages and disadvantages of both small and large-diameter tubes and proposes a combined-diameter heat exchanger,consisting of large and small diameters,for use in the indoor units of split-type air conditioners.There are relatively few studies in this area.In this paper,A theoretical and numerical computation method is employed to establish a theoretical-numerical calculation model,and its reliability is verified through experiments.Using this model,the optimal combined diameters and flow path design for a combined-diameter heat exchanger using R32 as the working fluid are derived.The results show that the heat transfer performance of all combined diameter configurations improves by 2.79%to 8.26%compared to the baseline design,with the coefficient of performance(COP)increasing from 4.15 to 4.27~4.5.These designs can save copper material,but at the cost of an increase in pressure drop by 66.86%to 131.84%.The scheme IIIH,using R32,is the optimal combined-diameter and flow path configuration that balances both heat transfer performance and economic cost.
基金financially supported by the National Natural Science Foundation of China(Nos.52303298 and 52233002)。
文摘UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength.
文摘Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This study evaluates the carbon footprint(CF)and economic viability of a liquefied natural gas(LNG)-fueled fishing vessel,using real engine operation simulations to provide precise and dynamic evaluation of fuel consumption and GHG emissions.Operational profiles are obtained through the utilization of onboard monitoring systems,whereas engine performance is simulated using the 1D/0D AVL Boost^(TM)model.Life cycle assessment(LCA)is conducted to quantify the environmental impact,whereas life cycle cost assessment(LCCA)is performed to analyze the profitability of LNG as an alternative fuel.The potential impact of the future fuel price uncertainties is addressed using Monte Carlo simulations.The LCA findings indicate that LNG has the potential to reduce the CF of the vessel by 14%to 16%,in comparison to a diesel power system configuration that serves as the baseline scenario.The LCCA results further indicate that the total cost of an LNG-powered ship is lower by 9.5%-13.8%,depending on the share of LNG and pilot fuels.This finding highlights the potential of LNG to produce considerable environmental benefits while addressing economic challenges under diverse operational and fuel price conditions.
基金National Natural Science Foundation of China under Grant Nos.U2139208 and 52278516Key Laboratory of Earthquake Engineering and Engineering Vibration,China Earthquake Administration under Grant No.2024D15Key Laboratory of Soft Soil Characteristic and Engineering Environment,Tianjin Chengjian University under Grant No.2022SCEEKL003。
文摘This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SEM),which is used to simulate low-frequency ground motion(f<1 Hz)by incorporating an innovative efficient discontinuous Galerkin(DG)method for grid division to accurately model basin sedimentary layers at reduced costs.It also introduces a comprehensive hybrid source model for high-frequency random scattering and a nonlinear analysis module for basin sedimentary layers.Deterministic outcomes are combined with modified three-dimensional stochastic finite fault method(3D-EXSIM)simulations of high-frequency ground motion(f>1 Hz).A fourth-order Butterworth filter with zero phase shift is employed for time-domain filtering of low-and high-frequency time series at a crossover frequency of 1 Hz,merging the low and high-frequency ground motions into a broadband time series.Taking an Ms 6.8 Luding earthquake,as an example,this hybrid method was used for a rapid and efficient simulation analysis of broadband ground motion in the region.The accuracy and efficiency of this hybrid method were verified through comparisons with actually observed station data and empirical attenuation curves.Deterministic method simulation results revealed the effects of mountainous topography,basin effects,nonlinear effects within the basin’s sedimentary layers,and a coupling interaction between the basin and the mountains.The findings are consistent with similar studies,showing that near-fault sedimentary basins significantly focus and amplify strong ground motion,and the soil’s nonlinear behavior in the basin influences ground motion to varying extents at different distances from the fault.The mountainous topography impacts the basin’s response to ground motion,leading to barrier effects.This research provides a scientific foundation for seismic zoning,urban planning,and seismic design in nearfault mountain basin regions.
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financially supported by the National Natural Science Foundation of China(Nos.52173020 and 52573023)。
文摘Vitrimers belong to a class of polymeric materials capable of bond exchange reactions,showing great promise for environmental protection and sustainable development.However,studies on the coupling mechanism between the bond exchange kinetics and segmental dynamics near the glass transition temperature(T_(g))remain scarce.Herein,we employed molecular dynamics simulations to investigate the dynamic heterogeneity of the segment motion and bond exchange in vitrimers.The simulation results revealed that the bond exchange energy barrier exerts a much stronger influence on the bond exchange kinetics than on the segmental dynamics.At lower temperatures,slower segmental relaxation further constraind the bond exchange rate.Additionally,increasing the bond exchange energy barrier markedly enhanced the dynamic heterogeneity of segment motion.A close correlation was observed between heterogeneity and bond exchange.This study elucidated the coupling mechanism between bond exchange and segmental dynamics at the molecular scale,thereby providing a theoretical basis for designing vitrimer materials with tunable dynamic properties.
文摘Based on the porosity method and the improved non uniform QUICK scheme, this paper describes a three dimensional computer simulation to predict the flow characteristics in a tangentially fired boiler. The model is applied to a 600?MW boiler modeling under different operating conditions of reverse swirl of secondary air. The numerical results achieve reasonable agreement with experimental data. The calculated results of flow field, the pressure distribution, the relative diameter of tangential circle, angular momentum flux in furnace and the velocity distribution index in horizontal gas pass are analyzed in detail. And then the effects of the reverse swirl of secondary air on flue gas imbalance are discussed. Finally a reasonable operating condition of the reverse swirl of secondary air is presented.
文摘A fire control system of artillery includes a photo-tracker, a computing subsystem and a servomechanism. The photo-tracker outputs moving characteristics of the target during the tracking process, and basing upon this, the computing subsystem makes the computation and outputs shooting elements, and the servo-mechanism controls this piece of artillery to point to the foregoing position of its target in terms of the latter elements.
