In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honey...In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.展开更多
Lithium manganese silicate(Li-Mn-Si-O)cathodes are key components of lithium-ion batteries,and their physical and mechanical properties are strongly influenced by their underlying crystal structures.In this study,a ra...Lithium manganese silicate(Li-Mn-Si-O)cathodes are key components of lithium-ion batteries,and their physical and mechanical properties are strongly influenced by their underlying crystal structures.In this study,a range of machine learning(ML)algorithms were developed and compared to predict the crystal systems of Li-Mn-Si-O cathode materials using density functional theory(DFT)data obtained from the Materials Project database.The dataset comprised 211 compositions characterized by key descriptors,including formation energy,energy above the hull,bandgap,atomic site number,density,and unit cell volume.These features were utilized to classify the materials into monoclinic(0)and triclinic(1)crystal systems.A comprehensive comparison of various classification algorithms including Decision Tree,Random Forest,XGBoost,Support VectorMachine,k-Nearest Neighbor,Stochastic Gradient Descent,Gaussian Naive Bayes,Gaussian Process,and Artificial Neural Network(ANN)was conducted.Among these,the optimized ANN architecture(6–14-14-14-1)exhibited the highest predictive performance,achieving an accuracy of 95.3%,aMatthews correlation coefficient(MCC)of 0.894,and an F-score of 0.963,demonstrating excellent consistency with DFT-predicted crystal structures.Meanwhile,RandomForest and Gaussian Processmodels also exhibited reliable and consistent predictive capability,indicating their potential as complementary approaches,particularly when data are limited or computational efficiency is required.This comparative framework provides valuable insights into model selection for crystal system classification in complex cathode materials.展开更多
To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuou...To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuous rotation electron diffraction(cryo-cRED)with a low-dose strategy to determine the crystal structure of CL30,a novel silicogermanate framework.It is confirmed that CL30 crystallizes in the C2/m space group and has layered topology composed of discontinuous zigzag chains connected by double four-membered ring(d4r)units,with fluoride anions(F^(-))occluded in the d4r units.In CL30,charge balance involves organic structure-directing agent(OSDA)cations,occluded F^(-),and terminal oxygen sites whose protonation state cannot be established from the present three dimensional(3D)ED data.F^(-)encapsulated in the d4r units contributes to charge compensation as the counter-anion to OSDA cations,rather than only balancing the framework charge.Although the refinement indices(R_(1)=0.29,wR_(2)=0.71)exceeded typical small-molecule crystallography standards,the structural model remained highly reliable,as supported by geometric restraints and validation.In electron diffraction,elevated R_(1) values are commonly attributed to the intrinsic factors of the technique,such as dynamic scattering,detector noise from scintillator-based detectors,and TEM stage instability(large spheres of confusion).This study introduces a new structural prototype to the silicogermanate family and establishes a feasible workflow for determining the structures of radiation-sensitive microcrystalline porous materials.展开更多
To evaluate the dynamic interactions between debris flows,entrained material sources,and infrastructure in the Naojiao Gully watershed of Beijing,and to develop a predictive framework for mitigating geohazard risks th...To evaluate the dynamic interactions between debris flows,entrained material sources,and infrastructure in the Naojiao Gully watershed of Beijing,and to develop a predictive framework for mitigating geohazard risks through energy-based strategies,debris flow dynamics are investigated,a coupled SPH-DEM-FEM multiscale model integrating fluid dynamics(SPH),granular mechanics(DEM),and structural mechanics(FEM)is developed to simulate debris flow propagation,material source behavior,and frame structure responses,and to capture cross-scale failure mechanisms.Key findings include the identification of a critical flow velocity threshold of 12 m/s,beyond which solid-phase kinetic energy dominates,inducing 60%-75%capacity loss in central columns via through-cracking.Furthermore,a novel compound failure criterion is proposed based on the solid-liquid energy proportion.The model achieves a boulder impact force prediction error of only 5.47%,significantly outperforming empirical methods in cross-scale accuracy.An optimized 0.3 m layered configuration experimentally reduces impact pulse peaks by 57%through directed energy redistribution,thereby shifting mitigation strategies from structural reinforcement to media modulation.These results establish a robust framework for quantifying failure thresholds,enhancing predictive precision,and innovating energy-based mitigation.By bridging multiscale modeling gaps in geohazard analysis,this study provides actionable insights for infrastructure resilience in debris flow-prone regions through energycentric design principles.展开更多
With the development of modern society,people put forward higher requirements for building safety,which makes the construction project face new challenges.Reinforced concrete frame structure as a common engineering ty...With the development of modern society,people put forward higher requirements for building safety,which makes the construction project face new challenges.Reinforced concrete frame structure as a common engineering type,although the construction technology has been relatively mature,but its earthquake collapse ability still needs to be strengthened.This paper analyzes the specific factors that affect the seismic collapse ability of reinforced concrete frame structure,summarizes the previous research results,and puts forward innovative application of fiber-reinforced polymer(FRP)composite materials,play the role of smart materials,improve the isolation and energy dissipation devices,etc.,to promote the continuous optimization of reinforced concrete frame structure design,and show better seismic performance.展开更多
To ensure the operational safety of railways in the landslide-prone areas of mountainous regions,a large-scale model test and numerical simulation were conducted to study the bending moment distribution,internal force...To ensure the operational safety of railways in the landslide-prone areas of mountainous regions,a large-scale model test and numerical simulation were conducted to study the bending moment distribution,internal force distribution,deformation development,and crack propagation characteristics of a framed anti-sliding structure(FAS)under landslide thrust up to the point of failure.Results show that the maximum bending moment and its increase rate in the fore pile are greater than those in the rear pile,with the maximum bending moment of the fore pile approximately 1.1 times that of the rear pile.When the FAS fails,the displacement at the top of the fore pile is significantly greater,about 1.27 times that of the rear pile in the experiment.Major cracks develop at locations corresponding to the peak bending moments.Small transverse cracks initially appear on the upper surface at the intersection between the primary beam and rear pile and then spread to the side of the structure.At the failure stage,major cracks are observed at the pil-beam intersections and near the anchor points.Strengthening flexural stiffness at intersections where major cracks occur can improve the overall thrust-deformation coordination of the FAS,thereby maximizing its performance.展开更多
The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and...The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.展开更多
The authors regret that the original publication of this paper did not include Jawad Fayaz as a co-author.After further discussions and a thorough review of the research contributions,it was agreed that his significan...The authors regret that the original publication of this paper did not include Jawad Fayaz as a co-author.After further discussions and a thorough review of the research contributions,it was agreed that his significant contributions to the foundational aspects of the research warranted recognition,and he has now been added as a co-author.展开更多
In educational settings,instructors often lead students through hands-on software projects,sometimes engaging two different schools or departments.How can such collaborations be made more efficient,and how can student...In educational settings,instructors often lead students through hands-on software projects,sometimes engaging two different schools or departments.How can such collaborations be made more efficient,and how can students truly experience the importance of teamwork and the impact of organizational structure on project complexity?To answer these questions,we introduce the requirement-driven organization structure(R-DOS)approach,which tightly couples software requirements with the actual development process.By extending problem-frames modeling and focusing on requirements,R-DOS allows educators and students to(1)diagnose structural flaws early,(2)prescribe role-level and communication fixes,and(3)observe-in real time-how poor structure can derail a project while good structure accelerates learning and delivery.展开更多
Rapid quantification of seismic-induced damage immediately following an earthquake is critical for determining whether a structure is safe for continued occupation or requires evacuation.This study proposes a novel da...Rapid quantification of seismic-induced damage immediately following an earthquake is critical for determining whether a structure is safe for continued occupation or requires evacuation.This study proposes a novel damage identification method that utilizes limited strain data points,significantly reducing installation,maintenance,and data analysis costs compared to traditional distributed sensor networks.The approach integrates finite element(FE)modeling to generate capacity curves through pushover analysis,incorporates noise-augmented datasets for Artificial Neural Network(ANN)training,and classifies structural conditions into four damage levels:Operational(OP),Immediate Occupancy(IO),Life Safety(LS),and Collapse Prevention(CP).To evaluate the method’s accuracy and efficiency,it was applied to two reinforced concrete(RC)frames;a single-story frame tested experimentally under cyclic loading and a three-story frame analyzed under various lateral load patterns.Strain data from selected beam and column ends were used as ANN inputs,while the corresponding damage classes served as outputs.Confusion matrix results demonstrated high true positive rates(>85%for the single-story and>90%for the three-story frame),even with a reduced number of sensors.The model also exhibited strong robustness to White Gaussian Noise(SNR=2.5-5 dB)and generalized effectively to nonlinear time-history analyses under scaled ground motions(PGA=0.1-1.0 g).Feature selection using the MRMR and ANOVA algorithms further enhanced computational efficiency.Overall,the proposed ANN-based framework has strong potential for real-time structural health monitoring applications.展开更多
In this work,the synthesis of uniform zeolitic imidazolate framework-coated Mo-glycerate spheres and their subsequent conversion into hierarchical architecture containing bimetallic selenides heterostructures and nitr...In this work,the synthesis of uniform zeolitic imidazolate framework-coated Mo-glycerate spheres and their subsequent conversion into hierarchical architecture containing bimetallic selenides heterostructures and nitrogen-doped carbon shell are reported.Selenization temperature plays a significant role in determining the phases,morphology,and lithium-ion storage performance of the composite.Notably,the optimal electrode demonstrates an ultrahigh reversible capacity of 1298.2 mAh/g after 100 cycles at 0.2 A/g and an outstanding rate capability with the capacity still maintained 505.7 mAh/g after 300 cycles at 1.0 A/g,surpassing the calculated theoretical capacity according to individual component and most of the reported MoSe@C-or ZnSe@C-based anodes.Furthermore,ex-situ X-ray diffraction patterns reveal the combined conversion and alloying reaction mechanisms of the composite.展开更多
Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'...Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.展开更多
In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented...In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs.展开更多
Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(...Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(PAm)]·2H_(2)O(2)were determined by single-crystal X-ray diffraction,IR spectroscopy,and powder X-ray diffraction.Hirshfeld surface analysis provided quantitative insights into the intermolecular interactions within the complexes,while molecular docking studies elucidated their binding modes and affinities toward urease.Furthermore,the biological activities of both complexes were systematically evaluated through a range of assays,including DNA binding,urease inhibition,antibacterial activity,and in vitro cytotoxicity against cancer cells.Both complexes exhibited binding affinity for DNA and displayed notable urease inhibitory activity.Under in vitro conditions,both complexes showed appreciable cytotoxicity toward HepG2 cells with efficacy comparable to clinically used platinumbased anticancer agents.CCDC:2479943,1;2479944,2.展开更多
Experimental studies were conducted on two high-strength steel plate-frame structures with different truss spacings under various impact velocities to investigate the dynamic mechanical properties of hull plate-frame ...Experimental studies were conducted on two high-strength steel plate-frame structures with different truss spacings under various impact velocities to investigate the dynamic mechanical properties of hull plate-frame structures under drop weight impact.The results showed that decreasing the main beam spacing can effectively increase the structural stiffness,reduce the maximum deformation,and increase the damage range.Furthermore,to simulate the impact tests accurately,static and dynamic tensile tests at different strain rates were carried out,and the Cowper-Symonds model parameters were fitted via experimental data.The material properties obtained from the tensile tests were used as inputs for numerical simulations with the numerical results coincide with the experimental results.A systematic analysis and discussion were conducted on the effects of truss spacing and truss width on the dynamic response of the reinforced plates,and an optimal range for the ratio of truss spacing to truss width was proposed.In addition,a mesh size sensitivity analysis for ship hull plate frame collision simulations was performed.The applicability of the EPS,MMC,and RTCL failure criteria in the simulation of plate-frame structures was investigated via finite element simulations of falling weight impact tests.The research findings provide a reference for ship hull structure design and resilience assessment.展开更多
Developing novel building blocks with predictable side-chain orientations and minimal intramolecular interactions is essential for peptide-based self-assembling materials.Traditional structures likeα-helices andβ-sh...Developing novel building blocks with predictable side-chain orientations and minimal intramolecular interactions is essential for peptide-based self-assembling materials.Traditional structures likeα-helices andβ-sheets rely on such interactions for stability,limiting control over exposed interacting moieties.Here,we reported a novel,frame-like peptide scaffold that maintains exceptional stability without intramolecular interactions.This structure exposes its backbone and orients side chains for hierarchical self-assembly into micron-scale cubes.By introducing mutations at specific sites,we controlled packing orientations,offering new options for tunable self-assembly.Our scaffold provides a versatile platform for designing advanced peptide materials,with applications in nanotechnology and biomaterials.展开更多
A metal-organic framework{[Zn(L)_(0.5)(1,2,4,5-tpb)_(0.5)]·DMF·3H_(2)O}_(n)(1)was synthesized by solvothermal reaction,where H4L=5,5'-(ethane-1,2-diyl)diisophthalic acid,and 1,2,4,5-tpb=1,2,4,5-tetra(pyr...A metal-organic framework{[Zn(L)_(0.5)(1,2,4,5-tpb)_(0.5)]·DMF·3H_(2)O}_(n)(1)was synthesized by solvothermal reaction,where H4L=5,5'-(ethane-1,2-diyl)diisophthalic acid,and 1,2,4,5-tpb=1,2,4,5-tetra(pyridin-4-yl)benzene.The analysis of the single crystal structure indicates that L^(4-)and 1,2,4,5-tpb are connected with Zn(Ⅱ)to form a 2D layered structure,and the layers are linked by 1,2,4,5-tpb to form a 3D structure.1 can be used as a highly selective fluorescent probe for the detection of 2,4-dinitrophenylhydrazine(DNP)and tetracycline(TET),and the detection limits were 0.013 and 0.31μmol·L^(-1),respectively.1 was applied successfully to the determination of TET content in the Yanhe River water sample.CCDC:2466221.展开更多
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat...Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.展开更多
To investigate the possible geometric structure of the proton,an improved stringy proton model is constructed beyond the smallest distance approximation and treats the constituent(up and down)quark-initiated gluon tub...To investigate the possible geometric structure of the proton,an improved stringy proton model is constructed beyond the smallest distance approximation and treats the constituent(up and down)quark-initiated gluon tubes separately,where the constituent quarks are connected by gluon tubes which merge at the Fermat point of the quark triangle.The exclusive diffractive vector meson production process in electron-proton deep inelastic scattering is used to test the stringy structure of the proton.We calculate the coherent and incoherent differential cross sections of the exclusive diffractive J/Ψphotoproduction in the framework of Color Glass Condensate.The results show that our calculations are in good agreement with HERA data.Especially,our results give a better description of the HERA data at small t as compared to the ones from the hot spot model where the constituent quarks are independently distributed in the proton.Meanwhile,the radius of the proton resulting from the improved stringy proton model is coincident with the one from fitting to the data from GlueX Collaboration at Jefferson Lab,which indicates that the predictive power of the stringy proton model is significantly improved once it goes beyond the smallest distance approximation and treats the constituent quarks separately,instead of using the same profile for the up and down quarks initiated gluon tubes.Moreover,we assume that the transverse shape of the gluon tube satisfies Gaussian distribution,and explore the distribution width of the individual gluon tubes.We find an interesting result that the up quark-initiated gluon tube seems to have a larger distribution width than the down quarkinitiated gluon tube,which is favored by the HERA data.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
基金the financial supports from National Key R&D Program for Young Scientists of China(Grant No.2022YFC3080900)National Natural Science Foundation of China(Grant No.52374181)+1 种基金BIT Research and Innovation Promoting Project(Grant No.2024YCXZ017)supported by Science and Technology Innovation Program of Beijing institute of technology under Grant No.2022CX01025。
文摘In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.
基金supported by the Learning&Academic Research Institution for Master’s,PhD students,and Postdocs LAMP Program of the National Research Foundation of Korea(NRF)grant funded by the Ministry of Education(No.RS-2023-00301974)This work was also supported by the Glocal University 30 Project fund of Gyeongsang National University in 2025.
文摘Lithium manganese silicate(Li-Mn-Si-O)cathodes are key components of lithium-ion batteries,and their physical and mechanical properties are strongly influenced by their underlying crystal structures.In this study,a range of machine learning(ML)algorithms were developed and compared to predict the crystal systems of Li-Mn-Si-O cathode materials using density functional theory(DFT)data obtained from the Materials Project database.The dataset comprised 211 compositions characterized by key descriptors,including formation energy,energy above the hull,bandgap,atomic site number,density,and unit cell volume.These features were utilized to classify the materials into monoclinic(0)and triclinic(1)crystal systems.A comprehensive comparison of various classification algorithms including Decision Tree,Random Forest,XGBoost,Support VectorMachine,k-Nearest Neighbor,Stochastic Gradient Descent,Gaussian Naive Bayes,Gaussian Process,and Artificial Neural Network(ANN)was conducted.Among these,the optimized ANN architecture(6–14-14-14-1)exhibited the highest predictive performance,achieving an accuracy of 95.3%,aMatthews correlation coefficient(MCC)of 0.894,and an F-score of 0.963,demonstrating excellent consistency with DFT-predicted crystal structures.Meanwhile,RandomForest and Gaussian Processmodels also exhibited reliable and consistent predictive capability,indicating their potential as complementary approaches,particularly when data are limited or computational efficiency is required.This comparative framework provides valuable insights into model selection for crystal system classification in complex cathode materials.
基金supported by the National Natural Science Foundation of China (Grant No.12374021)Beijing Natural Science Foundation (Grant No.1252031)。
文摘To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuous rotation electron diffraction(cryo-cRED)with a low-dose strategy to determine the crystal structure of CL30,a novel silicogermanate framework.It is confirmed that CL30 crystallizes in the C2/m space group and has layered topology composed of discontinuous zigzag chains connected by double four-membered ring(d4r)units,with fluoride anions(F^(-))occluded in the d4r units.In CL30,charge balance involves organic structure-directing agent(OSDA)cations,occluded F^(-),and terminal oxygen sites whose protonation state cannot be established from the present three dimensional(3D)ED data.F^(-)encapsulated in the d4r units contributes to charge compensation as the counter-anion to OSDA cations,rather than only balancing the framework charge.Although the refinement indices(R_(1)=0.29,wR_(2)=0.71)exceeded typical small-molecule crystallography standards,the structural model remained highly reliable,as supported by geometric restraints and validation.In electron diffraction,elevated R_(1) values are commonly attributed to the intrinsic factors of the technique,such as dynamic scattering,detector noise from scintillator-based detectors,and TEM stage instability(large spheres of confusion).This study introduces a new structural prototype to the silicogermanate family and establishes a feasible workflow for determining the structures of radiation-sensitive microcrystalline porous materials.
基金funded by the Natural Science Foundation of Hebei Province(D2025201012)Highlevel Innovative Talents Program of Hebei University(Grant No.521100222055)President's Fund of Hebei University(Grant No.XZJJ202205)。
文摘To evaluate the dynamic interactions between debris flows,entrained material sources,and infrastructure in the Naojiao Gully watershed of Beijing,and to develop a predictive framework for mitigating geohazard risks through energy-based strategies,debris flow dynamics are investigated,a coupled SPH-DEM-FEM multiscale model integrating fluid dynamics(SPH),granular mechanics(DEM),and structural mechanics(FEM)is developed to simulate debris flow propagation,material source behavior,and frame structure responses,and to capture cross-scale failure mechanisms.Key findings include the identification of a critical flow velocity threshold of 12 m/s,beyond which solid-phase kinetic energy dominates,inducing 60%-75%capacity loss in central columns via through-cracking.Furthermore,a novel compound failure criterion is proposed based on the solid-liquid energy proportion.The model achieves a boulder impact force prediction error of only 5.47%,significantly outperforming empirical methods in cross-scale accuracy.An optimized 0.3 m layered configuration experimentally reduces impact pulse peaks by 57%through directed energy redistribution,thereby shifting mitigation strategies from structural reinforcement to media modulation.These results establish a robust framework for quantifying failure thresholds,enhancing predictive precision,and innovating energy-based mitigation.By bridging multiscale modeling gaps in geohazard analysis,this study provides actionable insights for infrastructure resilience in debris flow-prone regions through energycentric design principles.
文摘With the development of modern society,people put forward higher requirements for building safety,which makes the construction project face new challenges.Reinforced concrete frame structure as a common engineering type,although the construction technology has been relatively mature,but its earthquake collapse ability still needs to be strengthened.This paper analyzes the specific factors that affect the seismic collapse ability of reinforced concrete frame structure,summarizes the previous research results,and puts forward innovative application of fiber-reinforced polymer(FRP)composite materials,play the role of smart materials,improve the isolation and energy dissipation devices,etc.,to promote the continuous optimization of reinforced concrete frame structure design,and show better seismic performance.
基金The National Natural Science Foundation of China(No.52078427).
文摘To ensure the operational safety of railways in the landslide-prone areas of mountainous regions,a large-scale model test and numerical simulation were conducted to study the bending moment distribution,internal force distribution,deformation development,and crack propagation characteristics of a framed anti-sliding structure(FAS)under landslide thrust up to the point of failure.Results show that the maximum bending moment and its increase rate in the fore pile are greater than those in the rear pile,with the maximum bending moment of the fore pile approximately 1.1 times that of the rear pile.When the FAS fails,the displacement at the top of the fore pile is significantly greater,about 1.27 times that of the rear pile in the experiment.Major cracks develop at locations corresponding to the peak bending moments.Small transverse cracks initially appear on the upper surface at the intersection between the primary beam and rear pile and then spread to the side of the structure.At the failure stage,major cracks are observed at the pil-beam intersections and near the anchor points.Strengthening flexural stiffness at intersections where major cracks occur can improve the overall thrust-deformation coordination of the FAS,thereby maximizing its performance.
文摘The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.
文摘The authors regret that the original publication of this paper did not include Jawad Fayaz as a co-author.After further discussions and a thorough review of the research contributions,it was agreed that his significant contributions to the foundational aspects of the research warranted recognition,and he has now been added as a co-author.
基金supported by the National Natural Science Foundation of China(No.62362006)Guangxi Science and Technology Project(Key Research&Development)(No.GuiKeAB24010343)+1 种基金Guangxi“Bagui Scholar”Teams for Innovation and Research,Innovation Project of Guangxi Graduate Education(No.YCSW2025193)Guangxi Collaborative Innovation Center of Multi-source Information Integration and Intelligent Processing.
文摘In educational settings,instructors often lead students through hands-on software projects,sometimes engaging two different schools or departments.How can such collaborations be made more efficient,and how can students truly experience the importance of teamwork and the impact of organizational structure on project complexity?To answer these questions,we introduce the requirement-driven organization structure(R-DOS)approach,which tightly couples software requirements with the actual development process.By extending problem-frames modeling and focusing on requirements,R-DOS allows educators and students to(1)diagnose structural flaws early,(2)prescribe role-level and communication fixes,and(3)observe-in real time-how poor structure can derail a project while good structure accelerates learning and delivery.
基金funded by UTM Fundamental Research Grant(PY/2024/01221,Cost centre no.:Q.J130000.3822.23H73)HiCoE Grant Scheme(Cost centre no.:R.J130000.7822.4J738)。
文摘Rapid quantification of seismic-induced damage immediately following an earthquake is critical for determining whether a structure is safe for continued occupation or requires evacuation.This study proposes a novel damage identification method that utilizes limited strain data points,significantly reducing installation,maintenance,and data analysis costs compared to traditional distributed sensor networks.The approach integrates finite element(FE)modeling to generate capacity curves through pushover analysis,incorporates noise-augmented datasets for Artificial Neural Network(ANN)training,and classifies structural conditions into four damage levels:Operational(OP),Immediate Occupancy(IO),Life Safety(LS),and Collapse Prevention(CP).To evaluate the method’s accuracy and efficiency,it was applied to two reinforced concrete(RC)frames;a single-story frame tested experimentally under cyclic loading and a three-story frame analyzed under various lateral load patterns.Strain data from selected beam and column ends were used as ANN inputs,while the corresponding damage classes served as outputs.Confusion matrix results demonstrated high true positive rates(>85%for the single-story and>90%for the three-story frame),even with a reduced number of sensors.The model also exhibited strong robustness to White Gaussian Noise(SNR=2.5-5 dB)and generalized effectively to nonlinear time-history analyses under scaled ground motions(PGA=0.1-1.0 g).Feature selection using the MRMR and ANOVA algorithms further enhanced computational efficiency.Overall,the proposed ANN-based framework has strong potential for real-time structural health monitoring applications.
基金supported by the National Natural Science Foundation of China(No.22265017)the Open Fund of Key Laboratory of Eco-functional Polymer Materials of the Ministry of Education(No.KF-21-04).
文摘In this work,the synthesis of uniform zeolitic imidazolate framework-coated Mo-glycerate spheres and their subsequent conversion into hierarchical architecture containing bimetallic selenides heterostructures and nitrogen-doped carbon shell are reported.Selenization temperature plays a significant role in determining the phases,morphology,and lithium-ion storage performance of the composite.Notably,the optimal electrode demonstrates an ultrahigh reversible capacity of 1298.2 mAh/g after 100 cycles at 0.2 A/g and an outstanding rate capability with the capacity still maintained 505.7 mAh/g after 300 cycles at 1.0 A/g,surpassing the calculated theoretical capacity according to individual component and most of the reported MoSe@C-or ZnSe@C-based anodes.Furthermore,ex-situ X-ray diffraction patterns reveal the combined conversion and alloying reaction mechanisms of the composite.
文摘Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.
基金Supported by the National Key Research and Development Program of Traditional Chinese Medicine Modernization Project,China(No.2023YFC3504000)the Science and Technology Development Project of Jilin Province,China(No.20240404043ZP)the Science and Technology Innovation Cooperation Project of Changchun Science and Technology Bureau and Chinese Academy of Sciences,China(No.23SH14)。
文摘In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs.
文摘Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(PAm)]·2H_(2)O(2)were determined by single-crystal X-ray diffraction,IR spectroscopy,and powder X-ray diffraction.Hirshfeld surface analysis provided quantitative insights into the intermolecular interactions within the complexes,while molecular docking studies elucidated their binding modes and affinities toward urease.Furthermore,the biological activities of both complexes were systematically evaluated through a range of assays,including DNA binding,urease inhibition,antibacterial activity,and in vitro cytotoxicity against cancer cells.Both complexes exhibited binding affinity for DNA and displayed notable urease inhibitory activity.Under in vitro conditions,both complexes showed appreciable cytotoxicity toward HepG2 cells with efficacy comparable to clinically used platinumbased anticancer agents.CCDC:2479943,1;2479944,2.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.52171311 and 5227127).
文摘Experimental studies were conducted on two high-strength steel plate-frame structures with different truss spacings under various impact velocities to investigate the dynamic mechanical properties of hull plate-frame structures under drop weight impact.The results showed that decreasing the main beam spacing can effectively increase the structural stiffness,reduce the maximum deformation,and increase the damage range.Furthermore,to simulate the impact tests accurately,static and dynamic tensile tests at different strain rates were carried out,and the Cowper-Symonds model parameters were fitted via experimental data.The material properties obtained from the tensile tests were used as inputs for numerical simulations with the numerical results coincide with the experimental results.A systematic analysis and discussion were conducted on the effects of truss spacing and truss width on the dynamic response of the reinforced plates,and an optimal range for the ratio of truss spacing to truss width was proposed.In addition,a mesh size sensitivity analysis for ship hull plate frame collision simulations was performed.The applicability of the EPS,MMC,and RTCL failure criteria in the simulation of plate-frame structures was investigated via finite element simulations of falling weight impact tests.The research findings provide a reference for ship hull structure design and resilience assessment.
基金supported by the National Basic Research Program of China 973 Program(Nos.2021YFA0910803,2021YFC2103900)the National Natural Science Foundation of China(No.21977011)+4 种基金the Natural Science Foundation of Guangdong Province(Nos.2022A1515010996 and 2020A1515011544)the Shenzhen Science and Technology Innovation Committee(Nos.RCJC20200714114433053,JCYJ20180507181527112 and JCYJ20200109140406047)the Shenzhen-Hong Kong Institute of Brain Science-Shenzhen Fundamental Research Institutions(No.2019SHIBS0004)the Shenzhen Fundamental Research Program(No.GXWD20201231165807007–20200827170132001)Tian Fu Jin Cheng Laboratory(Advanced Medical Center)Group Racing Project(No.TFJC2023010008)。
文摘Developing novel building blocks with predictable side-chain orientations and minimal intramolecular interactions is essential for peptide-based self-assembling materials.Traditional structures likeα-helices andβ-sheets rely on such interactions for stability,limiting control over exposed interacting moieties.Here,we reported a novel,frame-like peptide scaffold that maintains exceptional stability without intramolecular interactions.This structure exposes its backbone and orients side chains for hierarchical self-assembly into micron-scale cubes.By introducing mutations at specific sites,we controlled packing orientations,offering new options for tunable self-assembly.Our scaffold provides a versatile platform for designing advanced peptide materials,with applications in nanotechnology and biomaterials.
文摘A metal-organic framework{[Zn(L)_(0.5)(1,2,4,5-tpb)_(0.5)]·DMF·3H_(2)O}_(n)(1)was synthesized by solvothermal reaction,where H4L=5,5'-(ethane-1,2-diyl)diisophthalic acid,and 1,2,4,5-tpb=1,2,4,5-tetra(pyridin-4-yl)benzene.The analysis of the single crystal structure indicates that L^(4-)and 1,2,4,5-tpb are connected with Zn(Ⅱ)to form a 2D layered structure,and the layers are linked by 1,2,4,5-tpb to form a 3D structure.1 can be used as a highly selective fluorescent probe for the detection of 2,4-dinitrophenylhydrazine(DNP)and tetracycline(TET),and the detection limits were 0.013 and 0.31μmol·L^(-1),respectively.1 was applied successfully to the determination of TET content in the Yanhe River water sample.CCDC:2466221.
基金supported by the National Natural Science Foundation of China(Grant Nos.12432005 and 12472116)the Fundamental Research Funds for the Central Universities(DUTZD25240).
文摘Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.
基金supported by the National Natural Science Foundation of China under Grant No.12165004 and and Key Grant No.12061141008the Basic and Applied Basic Research Project of Guangzhou Science and Technology Bureau under Grant No.202201011324+1 种基金the Education Department of Guizhou Province under Grant No.QJJ[2022]016the National Key Research and Development Program of China under Grant Nos.2024YFA1610800 and 2022YFA1602103。
文摘To investigate the possible geometric structure of the proton,an improved stringy proton model is constructed beyond the smallest distance approximation and treats the constituent(up and down)quark-initiated gluon tubes separately,where the constituent quarks are connected by gluon tubes which merge at the Fermat point of the quark triangle.The exclusive diffractive vector meson production process in electron-proton deep inelastic scattering is used to test the stringy structure of the proton.We calculate the coherent and incoherent differential cross sections of the exclusive diffractive J/Ψphotoproduction in the framework of Color Glass Condensate.The results show that our calculations are in good agreement with HERA data.Especially,our results give a better description of the HERA data at small t as compared to the ones from the hot spot model where the constituent quarks are independently distributed in the proton.Meanwhile,the radius of the proton resulting from the improved stringy proton model is coincident with the one from fitting to the data from GlueX Collaboration at Jefferson Lab,which indicates that the predictive power of the stringy proton model is significantly improved once it goes beyond the smallest distance approximation and treats the constituent quarks separately,instead of using the same profile for the up and down quarks initiated gluon tubes.Moreover,we assume that the transverse shape of the gluon tube satisfies Gaussian distribution,and explore the distribution width of the individual gluon tubes.We find an interesting result that the up quark-initiated gluon tube seems to have a larger distribution width than the down quarkinitiated gluon tube,which is favored by the HERA data.
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.
