Theory of metallo-thermo-mechamics and the developed CAE code offer a powerful tool to simulate residual stresses and distortion during heat treatment processes, in which the transformation plasticity is one of factor...Theory of metallo-thermo-mechamics and the developed CAE code offer a powerful tool to simulate residual stresses and distortion during heat treatment processes, in which the transformation plasticity is one of factors to be considered being coupled with stress/strain and metallic structure. It is pointed out in this paper that, especially in the case of carburized quenching, transformation plasticity plays very important role on the distortion, which is verified by axisymmetric finite element, employing heat treatment simulation code "HEARTS". Simulated results with the careful consideration on the effect of transformation plasticity reveal to improve remarkably the accuracy of prediction of the displacement and the mode of distortion, compensating the discrepancy between experimental and calculated results. Attention is also paid on the difference in transformation plasticity and conventional plasticity in simulating the volume fraction, stress and strain in ring-shaped specimen during quenching. Moreover some discussions are made on practical use of the effect, and recent experimental results on the coefficient of transformation plasticity are presented.展开更多
The fact that traditional semiconductors have almost reached their performance limits in high power applications,is leading to failure in high power devices.This failure results from self-heating effects,leading to hi...The fact that traditional semiconductors have almost reached their performance limits in high power applications,is leading to failure in high power devices.This failure results from self-heating effects,leading to higher temperature and a breakdown of the electrical contact.The good thermal and mechanical properties of 4 H-SiC and Ti_(3)SiC_(2) and their good performance at high temperatures make them good candidates for high power applications.In order to improve the performance of electrical contacts,a thermo-mechanical simulation was carried out using the finite element method to study the self-heating effects in a high power PN diode made of a 4 H-SiC substrate with a Ti_(3)SiC_(2) electrical contact and Al_(3)Ti metallization.The three-dimensional model took into account the temperature dependency of several thermal and mechanical properties of the different materials to improve calculation accuracy.To simulate the self-heating,the power loss in the diode was calculated from the corresponding direct I-V characteristic.In addition,the interfacial thermal resistances(ITR)between the different layers were varied and studied in the thermo-mechanical investigation,in sequence to determine their effects on the heat dissipation and the resulting stresses in the model.The results show that for realistic ITR values,the ITR barely affects heat diffusion mechanical stresses of the model.Whereas,ITR may cause serious problem to the functionality and the efficiency of some electronic components.On the other hand,extremely large ITR leads to a decrease in the thermal stress in the diode.Good control on the ITR may help to improve the performance of high-power devices in the future,in addition to providing more efficient electrical contacts.展开更多
The stability analysis of horizontal wells is essential for a successful underground coal gasification(UCG)operation.In this paper,a new 3D coupled thermo-mechanical numerical modeling is proposed for analyzing the st...The stability analysis of horizontal wells is essential for a successful underground coal gasification(UCG)operation.In this paper,a new 3D coupled thermo-mechanical numerical modeling is proposed for analyzing the stability of UCG horizontal wells.In this model,the effect of front abutment stresses,syngas pressure,syngas temperature and thermal stresses is considered to predict the mud weight window and drilling mud pressure during UCG process.The results show that the roof caving in UCG panel has a greatest impact on the stability of horizontal well.Moreover,when the time of coal gasification is increased,the well convergence increases and for more stability it is necessary to increase the drilling mud pressure.This research was carried out on the M2 coal seam in Mazino coal deposit(Iran).The results showed that the mud weight window for horizontal well drilling is between 0 and 33 MPa.The appropriate stress for the maximum stability of the horizontal well,taking all the thermal and mechanical parameters into account,is 28 MPa.The suggested numerical method is a comprehensive and consistent way for analyzing the stability of horizontal wells in UCG sites.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
Thermal-mechanical damage and deformation at the interface between shotcrete linings and the surrounding rock of tunnels under high-temperature and variable-temperature conditions are critical to the safe construction...Thermal-mechanical damage and deformation at the interface between shotcrete linings and the surrounding rock of tunnels under high-temperature and variable-temperature conditions are critical to the safe construction and operation of tunnel engineering.This study investigated the thermo-mechanical damage behavior of the composite interface between alkali-resistant glass fiber-reinforced concrete(ARGFRC)and granite,focusing on a plateau railway tunnel.Laboratory triaxial tests,laser scanning,XRD analysis,numerical simulations,and theoretical analyses were employed to investigate how different initial curing temperatures and joint roughness coefficient(JRC)influence interfacial damage behavior.The results indicate that an increase in interface roughness exacerbates the structural damage at the interface.At a JRC of 19.9 and a temperature of 70℃,crack initiation in granite was notably restrained when the confining pressure rose from 7 MPa to 10 MPa.Roughness-induced stress distribution at the interface was notably altered,although this effect became less pronounced under high confining pressure conditions.Additionally,during high-temperature curing,thermal stress concentration at the tips of micro-convex protrusions on the granite surface induced microcracks in the adjacent ARGFRC matrix,followed by deformation.These findings provide practical guidelines for designing concrete support systems to ensure tunnel structural safety in high-altitude regions with harsh thermal environments.展开更多
Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under diff...Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations.The evolution of grain morphology and grain orientation was also taken into consideration.Simulation results show that at lower deposition rates,the surface of the formed Ti film exhibits a distinct oriented texture structure.The surface roughness of the Ti film is positively correlated with the grain misorientation.Moreover,the surface roughness obtained from the simulation is in good agreement with the experiment results.展开更多
The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the...The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.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
This study investigates the thermo–mechanical behavior of C40 concrete and reinforced concrete subjected to elevated temperatures up to 700℃by integrating experimental testing and advanced numerical modeling.A tempe...This study investigates the thermo–mechanical behavior of C40 concrete and reinforced concrete subjected to elevated temperatures up to 700℃by integrating experimental testing and advanced numerical modeling.A temperature-indexed Concrete Damage Plasticity(CDP)framework incorporating bond–slip effects was developed in Abaqus to capture both global stress–strain responses and localized damage evolution.Uniaxial compression tests on thermally exposed cylinders provided residual strength data and failure observations for model calibration and validation.Results demonstrated a distinct two-stage degradation regime:moderate stiffness and strength reduction up to~400℃,followed by sharp deterioration beyond 500℃–600℃,with residual capacity at 700℃reduced to~20%–25%of the ambient value.Strain–damage analyses revealed the formation of a peripheral tensile strain band,which thickened and propagated inward with increasing temperature,governing crack initiation and cover spalling.Supplemental analyses highlighted that transverse reinforcement improved ductility and damage distribution at moderate temperatures(~300℃),but bond deterioration and steel softening beyond~600℃substantially diminished confinement effectiveness.The proposed CDP model accurately reproduced experimental stress–strain curves(R^(2)≈0.94–0.98 up to 600℃;≈0.90 at 700℃),with peak stress errors within 7%–10%and energy absorption captured within~12%.These findings confirm the robustness of the temperature-indexed CDP framework for simulating fire-damaged reinforced concrete and provide practical guidelines for post-fire assessment,spalling detection,and fire-resilient design of structural members.展开更多
Liquid core reduction(LCR)technology,originally developed for continuous thin-slab casting,allows space for a submerged entry nozzle in a mold while improving production efficiency.Recent experimental attempts explore...Liquid core reduction(LCR)technology,originally developed for continuous thin-slab casting,allows space for a submerged entry nozzle in a mold while improving production efficiency.Recent experimental attempts explore the implementation of LCR in regular slab casting processes.However,regular slabs(2–3 times thicker than thin slabs)face critical challenges in terms of excessive deformation and stress concentration under external forces,which induce intermediate cracks and thus hinder successful LCR adoption in regular slab production.This study evaluates the feasibility of LCR for producing regular slabs and identifies optimal reduction parameters to prevent crack initiation.A three-dimensional thermal–mechanical coupled model is proposed using the finite element method(FEM),integrated with the equivalent replacement liquid steel(ERLS)method and the normalized Cockcroft–Latham damage model,to achieve quantitative prediction of intermediate crack risk during the LCR process.The ERLS model simulates the extrusion flow and expulsion behavior of the liquid core,and its accuracy is validated against actual production measurements.To identify the critical damage value leading to intermediate crack initiation,this study conducts a consistency analysis between high-temperature tensile tests and FEM-based simulations using damage models.Based on this value,crack prediction is performed for Q355 slabs with cross-sectional dimensions of 170 mm×1450 mm.Using the prediction results,an optimal reduction scheme is determined,wherein the second segment accounts for 50%of the total reduction,the third segment for 32.5%,and the fourth segment for 17.5%,with the theoretical value of maximum reduction being 34 mm.These results provide actionable guidelines for the potential implementation of LCR in regular slab-casting systems.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
文摘Theory of metallo-thermo-mechamics and the developed CAE code offer a powerful tool to simulate residual stresses and distortion during heat treatment processes, in which the transformation plasticity is one of factors to be considered being coupled with stress/strain and metallic structure. It is pointed out in this paper that, especially in the case of carburized quenching, transformation plasticity plays very important role on the distortion, which is verified by axisymmetric finite element, employing heat treatment simulation code "HEARTS". Simulated results with the careful consideration on the effect of transformation plasticity reveal to improve remarkably the accuracy of prediction of the displacement and the mode of distortion, compensating the discrepancy between experimental and calculated results. Attention is also paid on the difference in transformation plasticity and conventional plasticity in simulating the volume fraction, stress and strain in ring-shaped specimen during quenching. Moreover some discussions are made on practical use of the effect, and recent experimental results on the coefficient of transformation plasticity are presented.
文摘The fact that traditional semiconductors have almost reached their performance limits in high power applications,is leading to failure in high power devices.This failure results from self-heating effects,leading to higher temperature and a breakdown of the electrical contact.The good thermal and mechanical properties of 4 H-SiC and Ti_(3)SiC_(2) and their good performance at high temperatures make them good candidates for high power applications.In order to improve the performance of electrical contacts,a thermo-mechanical simulation was carried out using the finite element method to study the self-heating effects in a high power PN diode made of a 4 H-SiC substrate with a Ti_(3)SiC_(2) electrical contact and Al_(3)Ti metallization.The three-dimensional model took into account the temperature dependency of several thermal and mechanical properties of the different materials to improve calculation accuracy.To simulate the self-heating,the power loss in the diode was calculated from the corresponding direct I-V characteristic.In addition,the interfacial thermal resistances(ITR)between the different layers were varied and studied in the thermo-mechanical investigation,in sequence to determine their effects on the heat dissipation and the resulting stresses in the model.The results show that for realistic ITR values,the ITR barely affects heat diffusion mechanical stresses of the model.Whereas,ITR may cause serious problem to the functionality and the efficiency of some electronic components.On the other hand,extremely large ITR leads to a decrease in the thermal stress in the diode.Good control on the ITR may help to improve the performance of high-power devices in the future,in addition to providing more efficient electrical contacts.
文摘The stability analysis of horizontal wells is essential for a successful underground coal gasification(UCG)operation.In this paper,a new 3D coupled thermo-mechanical numerical modeling is proposed for analyzing the stability of UCG horizontal wells.In this model,the effect of front abutment stresses,syngas pressure,syngas temperature and thermal stresses is considered to predict the mud weight window and drilling mud pressure during UCG process.The results show that the roof caving in UCG panel has a greatest impact on the stability of horizontal well.Moreover,when the time of coal gasification is increased,the well convergence increases and for more stability it is necessary to increase the drilling mud pressure.This research was carried out on the M2 coal seam in Mazino coal deposit(Iran).The results showed that the mud weight window for horizontal well drilling is between 0 and 33 MPa.The appropriate stress for the maximum stability of the horizontal well,taking all the thermal and mechanical parameters into account,is 28 MPa.The suggested numerical method is a comprehensive and consistent way for analyzing the stability of horizontal wells in UCG sites.
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funded by the National Natural Science Foundation of China(Nos.52209130 and 52379100)Shandong Provincial Natural Science Foundation(No.ZR2024ME112).
文摘Thermal-mechanical damage and deformation at the interface between shotcrete linings and the surrounding rock of tunnels under high-temperature and variable-temperature conditions are critical to the safe construction and operation of tunnel engineering.This study investigated the thermo-mechanical damage behavior of the composite interface between alkali-resistant glass fiber-reinforced concrete(ARGFRC)and granite,focusing on a plateau railway tunnel.Laboratory triaxial tests,laser scanning,XRD analysis,numerical simulations,and theoretical analyses were employed to investigate how different initial curing temperatures and joint roughness coefficient(JRC)influence interfacial damage behavior.The results indicate that an increase in interface roughness exacerbates the structural damage at the interface.At a JRC of 19.9 and a temperature of 70℃,crack initiation in granite was notably restrained when the confining pressure rose from 7 MPa to 10 MPa.Roughness-induced stress distribution at the interface was notably altered,although this effect became less pronounced under high confining pressure conditions.Additionally,during high-temperature curing,thermal stress concentration at the tips of micro-convex protrusions on the granite surface induced microcracks in the adjacent ARGFRC matrix,followed by deformation.These findings provide practical guidelines for designing concrete support systems to ensure tunnel structural safety in high-altitude regions with harsh thermal environments.
基金National MCF Energy R&D Program of China(2018YFE0306100)Natural Science Foundation of Hunan Province for Distinguished Young Scholars(2021JJ10062)+1 种基金National Natural Science Foundation of China(52101028)China Postdoctoral Science Foundation(2021M703628)。
文摘Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations.The evolution of grain morphology and grain orientation was also taken into consideration.Simulation results show that at lower deposition rates,the surface of the formed Ti film exhibits a distinct oriented texture structure.The surface roughness of the Ti film is positively correlated with the grain misorientation.Moreover,the surface roughness obtained from the simulation is in good agreement with the experiment results.
基金National Natural Science Foundation of China(12372152)Guangdong Basic and Applied Basic Research Foundation(2023A1515011819,2024A1515012469)Shandong Provincial Natural Science Foundation(ZR2023MA058)。
文摘The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.
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.
文摘This study investigates the thermo–mechanical behavior of C40 concrete and reinforced concrete subjected to elevated temperatures up to 700℃by integrating experimental testing and advanced numerical modeling.A temperature-indexed Concrete Damage Plasticity(CDP)framework incorporating bond–slip effects was developed in Abaqus to capture both global stress–strain responses and localized damage evolution.Uniaxial compression tests on thermally exposed cylinders provided residual strength data and failure observations for model calibration and validation.Results demonstrated a distinct two-stage degradation regime:moderate stiffness and strength reduction up to~400℃,followed by sharp deterioration beyond 500℃–600℃,with residual capacity at 700℃reduced to~20%–25%of the ambient value.Strain–damage analyses revealed the formation of a peripheral tensile strain band,which thickened and propagated inward with increasing temperature,governing crack initiation and cover spalling.Supplemental analyses highlighted that transverse reinforcement improved ductility and damage distribution at moderate temperatures(~300℃),but bond deterioration and steel softening beyond~600℃substantially diminished confinement effectiveness.The proposed CDP model accurately reproduced experimental stress–strain curves(R^(2)≈0.94–0.98 up to 600℃;≈0.90 at 700℃),with peak stress errors within 7%–10%and energy absorption captured within~12%.These findings confirm the robustness of the temperature-indexed CDP framework for simulating fire-damaged reinforced concrete and provide practical guidelines for post-fire assessment,spalling detection,and fire-resilient design of structural members.
基金financially supported by the Na-tional Natural Science Foundation of China (No.52474355)the Fundamental Research Funds for the Central Uni-versities,China (No.N25DCG006).
文摘Liquid core reduction(LCR)technology,originally developed for continuous thin-slab casting,allows space for a submerged entry nozzle in a mold while improving production efficiency.Recent experimental attempts explore the implementation of LCR in regular slab casting processes.However,regular slabs(2–3 times thicker than thin slabs)face critical challenges in terms of excessive deformation and stress concentration under external forces,which induce intermediate cracks and thus hinder successful LCR adoption in regular slab production.This study evaluates the feasibility of LCR for producing regular slabs and identifies optimal reduction parameters to prevent crack initiation.A three-dimensional thermal–mechanical coupled model is proposed using the finite element method(FEM),integrated with the equivalent replacement liquid steel(ERLS)method and the normalized Cockcroft–Latham damage model,to achieve quantitative prediction of intermediate crack risk during the LCR process.The ERLS model simulates the extrusion flow and expulsion behavior of the liquid core,and its accuracy is validated against actual production measurements.To identify the critical damage value leading to intermediate crack initiation,this study conducts a consistency analysis between high-temperature tensile tests and FEM-based simulations using damage models.Based on this value,crack prediction is performed for Q355 slabs with cross-sectional dimensions of 170 mm×1450 mm.Using the prediction results,an optimal reduction scheme is determined,wherein the second segment accounts for 50%of the total reduction,the third segment for 32.5%,and the fourth segment for 17.5%,with the theoretical value of maximum reduction being 34 mm.These results provide actionable guidelines for the potential implementation of LCR in regular slab-casting systems.
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.
