The Luzon Island is a volcanic arc sandwiched by the eastward subducting South China Sea and the northwestward subducting Philippine Sea plate. Through experiments of plane-stress, elastic, and 2-dimensional finite-el...The Luzon Island is a volcanic arc sandwiched by the eastward subducting South China Sea and the northwestward subducting Philippine Sea plate. Through experiments of plane-stress, elastic, and 2-dimensional finite-element modeling, we evaluated the relationship between plate kinematics and present-day deformation of Luzon Island and adjacent sea areas. The concept of coupling rate was applied to define the boundary velocities along the subduction zones. The distribution of velocity fields calculated in our models was compared with the velocity field revealed by recent geodetic （GPS） observations. The best model was obtained that accounts for the observed velocity field within the limits of acceptable mechanical parameters and reasonable boundary conditions. Sensitivity of the selection of parameters and boundary conditions were evaluated. The model is sensitive to the direction of convergence between the South China Sea and the Philippine Sea plates, and to different coupling rates in the Manila trench, Philippine trench and eastern Luzon trough. We suggest that a change of ±15° of the direction of motion of the Philippine Sea plate can induce important changes in the distribution of the computed displacement trajectories, and the movement of the Philippine Sea plate toward azimuth 330° best explains the velocity pattern observed in Luzon Island. In addition, through sensitivity analysis we conclude that the coupling rate in the Manila trench is much smaller compared with the rates in the eastern Luzon trough and the Philippine trench. This indicates that a significant part of momentum of the Philippine Sea plate motion has been absorbed by the Manila trench; whereas, a part of the momentum has been transmitted into Luzon Island through the eastern Luzon trough and the Philippine trench.展开更多
A thee-dimensional finite-element simulation of stretching technological parameters of heavy forgings is performed by using ANSYS program. The law of internal stress distribution with different bt/h (tool width ratio...A thee-dimensional finite-element simulation of stretching technological parameters of heavy forgings is performed by using ANSYS program. The law of internal stress distribution with different bt/h (tool width ratio) and different bb/h (blank width ratio) is studied. Consequently,the critical tool width ratio( bt/h )cr and blank width ratio( bb/ h )cr leading no bi-axial tension are obtained. It lays a credible foundation for designing reasonable stretching technology.展开更多
The structural de formation of Lu’ an mining area is characterized by a remarkable feature of zoning along E-W direction, in the east limb of Qinshui basin, Shanxi Province, China. The re gional tectonic stress field...The structural de formation of Lu’ an mining area is characterized by a remarkable feature of zoning along E-W direction, in the east limb of Qinshui basin, Shanxi Province, China. The re gional tectonic stress fields and basement tectonics are two fundamental factors to control the cover tectonic framework. This paper uses the finite-element method with a elastic-plastic pIan problem model to simulate the three periods of stress fields resulting from field geological study’ Based on these works, the formation and evolution of tectonic framework of Lu’ an mining area have been discussed.展开更多
The dynamic process of the 2008 Wenehuan earthquake is simulated by finite-element method （ FEM）, and the results suggest that we may be able to estimate the occurrence time, location, and magnitude of similar earth...The dynamic process of the 2008 Wenehuan earthquake is simulated by finite-element method （ FEM）, and the results suggest that we may be able to estimate the occurrence time, location, and magnitude of similar earthquakes in the future. Thus a numerical earthquake prediction （NEP） program is proposed; the reliability of it is dependent on its gradual refinement and the parameters used in the models.展开更多
The electromagnetic(EM)telemetry systems,employed for real-time data transmission from the borehole and the earth surface during drilling,are widely used in measurement-while-drilling(MWD)and logging-while-drilling(LW...The electromagnetic(EM)telemetry systems,employed for real-time data transmission from the borehole and the earth surface during drilling,are widely used in measurement-while-drilling(MWD)and logging-while-drilling(LWD).Several numerical methods,including the method of moments(MoM),the electric field integral equation(EFIE)method,and the finite-element(FE)method have been developed for the simulation of EM telemetry systems.The computational process of these methods is complicated and time-consuming.To solve this problem,we introduce an axisymmetric semi-analytical FE method(SAFEM)in the cylindrical coordinate system with the virtual layering technique for rapid simulation of EM telemetry in a layered earth.The proposed method divides the computational domain into a series of homogeneous layers.For each layer,only its cross-section is discretized,and a high-precision integration method based on Riccati equations is employed for the calculation of longitudinally homogeneous sections.The block-tridiagonal structure of the global coefficient matrix enables the use of the block Thomas algorithm,facilitating the efficient simulation of EM telemetry problems in layered media.After the theoretical development,we validate the accuracy and efficiency of our algorithm through a series of numerical experiments and comparisons with the Multiphysics modeling software COMSOL.We also discussed the impact of system parameters on EM telemetry signal and demonstrated the applicability of our method by testing it on a field dataset acquired from Dezhou,Shandong Province,China.展开更多
In hot deformation, the flow stress curves of steels always present as two typical types: at relatively high temperature and low strain rate, the flow stress may first increase and then attain a steady value without r...In hot deformation, the flow stress curves of steels always present as two typical types: at relatively high temperature and low strain rate, the flow stress may first increase and then attain a steady value without reaching an obvious peak stress; in other situations, the flow stress decreases after reaching peak stress and then attains a steady value. A new phenomenological model,described by a sine-function equation, is proposed to define the relationship between flow stress and deformation parameters. A series of isothermal compressions for a carbon steel were carried out, as a case study, to obtain basic experimental data.Parameters of the new model were sequentially determined. The predicted results of the proposed model were compared with actual measured data. Good accuracy was found in the standard statistical parameters of correlation coefficient, root mean square error, and average absolute relative error with the values of 0.935, 7.137 MPa and 4.352%, respectively. Discussion of applications of different models in finite-element simulation demonstrated the benefit of the new model. When comparing the simulation results of three different deformation patterns with large strain, the new model showed 10%–20% lower predicted forming load than the original Arrhenius equation, and better applicability and reliability than modified Arrhenius equations.展开更多
Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing addit...Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing additive-induced defects,and alleviating residual stress and deformation,all of which are critical for enhancing the mechanical performance of the manufactured parts.Integrating interlayer friction stir processing(FSP)into WAAM significantly enhances the quality of deposited materials.However,numerical simulation research focusing on elucidating the associated thermomechanical coupling mechanisms remains insufficient.A comprehensive numerical model was developed to simulate the thermomechanical coupling behavior in friction stir-assisted WAAM.The influence of post-deposition FSP on the coupled thermomechanical response of the WAAM process was analyzed quantitatively.Moreover,the residual stress distribution and deformation behavior under both single-layer and multilayer deposition conditions were investigated.Thermal analysis of different deposition layers in WAAM and friction stir-assisted WAAM was conducted.Results show that subsequent layer deposition induces partial remelting of the previously solidified layer,whereas FSP does not cause such remelting.Furthermore,thermal stress and deformation analysis confirm that interlayer FSP effectively mitigates residual stresses and distortion in WAAM components,thereby improving their structural integrity and mechanical properties.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
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
In federated learning,backdoor attacks have become an important research topic with their wide application in processing sensitive datasets.Since federated learning detects or modifies local models through defense mec...In federated learning,backdoor attacks have become an important research topic with their wide application in processing sensitive datasets.Since federated learning detects or modifies local models through defense mechanisms during aggregation,it is difficult to conduct effective backdoor attacks.In addition,existing backdoor attack methods are faced with challenges,such as low backdoor accuracy,poor ability to evade anomaly detection,and unstable model training.To address these challenges,a method called adaptive simulation backdoor attack(ASBA)is proposed.Specifically,ASBA improves the stability of model training by manipulating the local training process and using an adaptive mechanism,the ability of the malicious model to evade anomaly detection by combing large simulation training and clipping,and the backdoor accuracy by introducing a stimulus model to amplify the impact of the backdoor in the global model.Extensive comparative experiments under five advanced defense scenarios show that ASBA can effectively evade anomaly detection and achieve high backdoor accuracy in the global model.Furthermore,it exhibits excellent stability and effectiveness after multiple rounds of attacks,outperforming state-of-the-art backdoor attack methods.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
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
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
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
基金supported by the National Scientific and Tech-nological Support Project of China (No. 2006BAB19B02)the Guangdong Natural Science Foundation (No. 07004206)the National Natural Science Foundation of China (No. 40476026)
文摘The Luzon Island is a volcanic arc sandwiched by the eastward subducting South China Sea and the northwestward subducting Philippine Sea plate. Through experiments of plane-stress, elastic, and 2-dimensional finite-element modeling, we evaluated the relationship between plate kinematics and present-day deformation of Luzon Island and adjacent sea areas. The concept of coupling rate was applied to define the boundary velocities along the subduction zones. The distribution of velocity fields calculated in our models was compared with the velocity field revealed by recent geodetic （GPS） observations. The best model was obtained that accounts for the observed velocity field within the limits of acceptable mechanical parameters and reasonable boundary conditions. Sensitivity of the selection of parameters and boundary conditions were evaluated. The model is sensitive to the direction of convergence between the South China Sea and the Philippine Sea plates, and to different coupling rates in the Manila trench, Philippine trench and eastern Luzon trough. We suggest that a change of ±15° of the direction of motion of the Philippine Sea plate can induce important changes in the distribution of the computed displacement trajectories, and the movement of the Philippine Sea plate toward azimuth 330° best explains the velocity pattern observed in Luzon Island. In addition, through sensitivity analysis we conclude that the coupling rate in the Manila trench is much smaller compared with the rates in the eastern Luzon trough and the Philippine trench. This indicates that a significant part of momentum of the Philippine Sea plate motion has been absorbed by the Manila trench; whereas, a part of the momentum has been transmitted into Luzon Island through the eastern Luzon trough and the Philippine trench.
基金This project is supported by Doctorate Foundation of Ministry of Education of China(No. 96021603) . Manuscript received
文摘A thee-dimensional finite-element simulation of stretching technological parameters of heavy forgings is performed by using ANSYS program. The law of internal stress distribution with different bt/h (tool width ratio) and different bb/h (blank width ratio) is studied. Consequently,the critical tool width ratio( bt/h )cr and blank width ratio( bb/ h )cr leading no bi-axial tension are obtained. It lays a credible foundation for designing reasonable stretching technology.
文摘The structural de formation of Lu’ an mining area is characterized by a remarkable feature of zoning along E-W direction, in the east limb of Qinshui basin, Shanxi Province, China. The re gional tectonic stress fields and basement tectonics are two fundamental factors to control the cover tectonic framework. This paper uses the finite-element method with a elastic-plastic pIan problem model to simulate the three periods of stress fields resulting from field geological study’ Based on these works, the formation and evolution of tectonic framework of Lu’ an mining area have been discussed.
基金supported by the National Natural Science Foundation ofChina(40974020,40074024)National 973 Project of China2008(B425704)State Key Laboratory of Earthguake Dynamics Project(LED2008B02)
文摘The dynamic process of the 2008 Wenehuan earthquake is simulated by finite-element method （ FEM）, and the results suggest that we may be able to estimate the occurrence time, location, and magnitude of similar earthquakes in the future. Thus a numerical earthquake prediction （NEP） program is proposed; the reliability of it is dependent on its gradual refinement and the parameters used in the models.
基金supported by the Major Research Project on Scientific Instrument Development of the National Natural Science Foundation of China(42327901)National Natural Science Foundation of China(42030806,42074120,41904104,423B2405).
文摘The electromagnetic(EM)telemetry systems,employed for real-time data transmission from the borehole and the earth surface during drilling,are widely used in measurement-while-drilling(MWD)and logging-while-drilling(LWD).Several numerical methods,including the method of moments(MoM),the electric field integral equation(EFIE)method,and the finite-element(FE)method have been developed for the simulation of EM telemetry systems.The computational process of these methods is complicated and time-consuming.To solve this problem,we introduce an axisymmetric semi-analytical FE method(SAFEM)in the cylindrical coordinate system with the virtual layering technique for rapid simulation of EM telemetry in a layered earth.The proposed method divides the computational domain into a series of homogeneous layers.For each layer,only its cross-section is discretized,and a high-precision integration method based on Riccati equations is employed for the calculation of longitudinally homogeneous sections.The block-tridiagonal structure of the global coefficient matrix enables the use of the block Thomas algorithm,facilitating the efficient simulation of EM telemetry problems in layered media.After the theoretical development,we validate the accuracy and efficiency of our algorithm through a series of numerical experiments and comparisons with the Multiphysics modeling software COMSOL.We also discussed the impact of system parameters on EM telemetry signal and demonstrated the applicability of our method by testing it on a field dataset acquired from Dezhou,Shandong Province,China.
基金supported by the National Natural Science Foundation of China(Grant No.51475294)
文摘In hot deformation, the flow stress curves of steels always present as two typical types: at relatively high temperature and low strain rate, the flow stress may first increase and then attain a steady value without reaching an obvious peak stress; in other situations, the flow stress decreases after reaching peak stress and then attains a steady value. A new phenomenological model,described by a sine-function equation, is proposed to define the relationship between flow stress and deformation parameters. A series of isothermal compressions for a carbon steel were carried out, as a case study, to obtain basic experimental data.Parameters of the new model were sequentially determined. The predicted results of the proposed model were compared with actual measured data. Good accuracy was found in the standard statistical parameters of correlation coefficient, root mean square error, and average absolute relative error with the values of 0.935, 7.137 MPa and 4.352%, respectively. Discussion of applications of different models in finite-element simulation demonstrated the benefit of the new model. When comparing the simulation results of three different deformation patterns with large strain, the new model showed 10%–20% lower predicted forming load than the original Arrhenius equation, and better applicability and reliability than modified Arrhenius equations.
基金National Key Research and Development Program of China(2022YFB4600902)Shandong Provincial Science Foundation for Outstanding Young Scholars(ZR2024YQ020)。
文摘Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing additive-induced defects,and alleviating residual stress and deformation,all of which are critical for enhancing the mechanical performance of the manufactured parts.Integrating interlayer friction stir processing(FSP)into WAAM significantly enhances the quality of deposited materials.However,numerical simulation research focusing on elucidating the associated thermomechanical coupling mechanisms remains insufficient.A comprehensive numerical model was developed to simulate the thermomechanical coupling behavior in friction stir-assisted WAAM.The influence of post-deposition FSP on the coupled thermomechanical response of the WAAM process was analyzed quantitatively.Moreover,the residual stress distribution and deformation behavior under both single-layer and multilayer deposition conditions were investigated.Thermal analysis of different deposition layers in WAAM and friction stir-assisted WAAM was conducted.Results show that subsequent layer deposition induces partial remelting of the previously solidified layer,whereas FSP does not cause such remelting.Furthermore,thermal stress and deformation analysis confirm that interlayer FSP effectively mitigates residual stresses and distortion in WAAM components,thereby improving their structural integrity and mechanical properties.
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).
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In federated learning,backdoor attacks have become an important research topic with their wide application in processing sensitive datasets.Since federated learning detects or modifies local models through defense mechanisms during aggregation,it is difficult to conduct effective backdoor attacks.In addition,existing backdoor attack methods are faced with challenges,such as low backdoor accuracy,poor ability to evade anomaly detection,and unstable model training.To address these challenges,a method called adaptive simulation backdoor attack(ASBA)is proposed.Specifically,ASBA improves the stability of model training by manipulating the local training process and using an adaptive mechanism,the ability of the malicious model to evade anomaly detection by combing large simulation training and clipping,and the backdoor accuracy by introducing a stimulus model to amplify the impact of the backdoor in the global model.Extensive comparative experiments under five advanced defense scenarios show that ASBA can effectively evade anomaly detection and achieve high backdoor accuracy in the global model.Furthermore,it exhibits excellent stability and effectiveness after multiple rounds of attacks,outperforming state-of-the-art backdoor attack methods.
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.
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.
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.
