The pursuit of Ag-based alloys with both high strength and toughness has posed a longstanding chal-lenge.In this study,we investigated the cluster strengthening and grain refinement toughening mecha-nisms in fully oxi...The pursuit of Ag-based alloys with both high strength and toughness has posed a longstanding chal-lenge.In this study,we investigated the cluster strengthening and grain refinement toughening mecha-nisms in fully oxidized AgMgNi alloys,which were internally oxidized at 800℃ for 8 h under an oxy-gen atmosphere.We found that Mg-O clusters contributed to the hardening(138 HV)and strengthening(376.9 MPa)of the AgMg alloy through solid solution strengthening effects,albeit at the expense of duc-tility.To address this limitation,we introduced Ni nanoparticles into the AgMg alloy,resulting in signifi-cant grain refinement within its microstructure.Specifically,the grain size decreased from 67.2μm in the oxidized AgMg alloy to below 6.0μm in the oxidized AgMgNi alloy containing 0.3 wt%Ni.Consequently,the toughness increased significantly,rising from toughness value of 2177.9 MJ m^(-3) in the oxidized AgMg alloy to 6186.1 MJ m^(-3) in the oxidized AgMgNi alloy,representing a remarkable 2.8-fold enhancement.Furthermore,the internally oxidized AgMgNi alloy attained a strength of up to 387.6 MPa,comparable to that of the internally oxidized AgMg alloy,thereby demonstrating the successful realization of concurrent strengthening and toughening.These results collectively offer a novel approach for the design of high-performance alloys through the synergistic combination of cluster strengthening and grain refinement toughening.展开更多
Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc...Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc-tion with the domain-based local pair natural orbital(DLPNO)method,has been applied to assess the average binding energies(ABEs)of large benzene clus-ters,specifically(C6H6)13,at the coupled cluster singles and doubles with perturbative triples correction[CCSD(T)]level and the complete basis set(CBS)limit.Utilizing GEBF-DLPNO-CCSD(T)/CBS ABEs as benchmarks,various DFT functionals were evaluated.It was found that several functionals with empirical dispersion correction,including M06-2X-D3,B3LYP-D3(BJ),and PBE-D3(BJ),provide accurate descriptions of the ABEs for(C6H6)13 clusters.Additionally,the M06-2X-D3 functional was used to calculate the ABEs and relative stabili-ties of(C6H6)n clusters for n=11,12,13,14,and 15 revealing that the(C6H6)13 cluster ex-hibits the highest relative stability.These findings align with experimental evidence suggest-ing that n=13 is one of the magic numbers for benzene clusters(C6H6)n,with n≤30.展开更多
We propose a robust earthquake clustering method:the Bayesian Gaussian mixture model with nearest-neighbor distance(BGMM-NND)algorithm.Unlike the conventional nearest neighbor distance method,the BGMM-NND algorithm el...We propose a robust earthquake clustering method:the Bayesian Gaussian mixture model with nearest-neighbor distance(BGMM-NND)algorithm.Unlike the conventional nearest neighbor distance method,the BGMM-NND algorithm eliminates the need for hyperparameter tuning or reliance on fixed thresholds,offering enhanced flexibility for clustering across varied seismic scales.By integrating cumulative probability and BGMM with principal component analysis(PCA),the BGMM-NND algorithm effectively distinguishes between background and triggered earthquakes while maintaining the magnitude component and resolving the issue of excessively large spatial cluster domains.We apply the BGMM-NND algorithm to the Sichuan–Yunnan seismic catalog from 1971 to 2024,revealing notable variations in earthquake frequency,triggering characteristics,and recurrence patterns across different fault zones.Distinct clustering and triggering behaviors are identified along different segments of the Longmenshan Fault.Multiple seismic modes,namely,the short-distance mode,the medium-distance mode,the repeating-like mode,the uniform background mode,and the Wenchuan mode,are uncovered.The algorithm's flexibility and robust performance in earthquake clustering makes it a valuable tool for exploring seismicity characteristics,offering new insights into earthquake clustering and the spatiotemporal patterns of seismic activity.展开更多
Under hydrothermal and solvothermal conditions,two novel cobalt-based complexes,{[Co_(2)(CIA)(OH)(1,4-dtb)]·3.2H_(2)O}n(HU23)and{[Co_(2)(CIA)(OH)(1,4-dib)]·3.5H2O·DMF}n(HU24),were successfully construct...Under hydrothermal and solvothermal conditions,two novel cobalt-based complexes,{[Co_(2)(CIA)(OH)(1,4-dtb)]·3.2H_(2)O}n(HU23)and{[Co_(2)(CIA)(OH)(1,4-dib)]·3.5H2O·DMF}n(HU24),were successfully constructed by coordinatively assembling the semi-rigid multidentate ligand 5-(1-carboxyethoxy)isophthalic acid(H₃CIA)with the Nheterocyclic ligands 1,4-di(4H-1,2,4-triazol-4-yl)benzene(1,4-dtb)and 1,4-di(1H-imidazol-1-yl)benzene(1,4-dib),respectively,around Co^(2+)ions.Single-crystal X-ray diffraction analysis revealed that in both complexes HU23 and HU24,the CIA^(3-)anions adopt aκ^(7)-coordination mode,bridging six Co^(2+)ions via their five carboxylate oxygen atoms and one ether oxygen atom.This linkage forms tetranuclear[Co4(μ3-OH)2]^(6+)units.These Co-oxo cluster units were interconnected by CIA^(3-)anions to assemble into 2D kgd-type structures featuring a 3,6-connected topology.The 2D layers were further connected by 1,4-dtb and 1,4-dib,resulting in 3D pillar-layered frameworks for HU23 and HU24.Notably,despite the similar configurations of 1,4-dtb and 1,4-dib,differences in their coordination spatial orientations lead to topological divergence in the 3D frameworks of HU23 and HU24.Topological analysis indicates that the frameworks of HU23 and HU24 can be simplified into a 3,10-connected net(point symbol:(4^(10).6^(3).8^(2))(4^(3))_(2))and a 3,8-connected tfz-d net(point symbol:(4^(3))_(2)((4^(6).6^(18).8^(4)))),respectively.This structural differentiation confirms the precise regulatory role of ligands on the topology of metal-organic frameworks.Moreover,the ultraviolet-visible absorption spectra confirmed that HU23 and HU24 have strong absorption capabilities for ultraviolet and visible light.According to the Kubelka-Munk method,their bandwidths were 2.15 and 2.08 eV,respectively,which are consistent with those of typical semiconductor materials.Variable-temperature magnetic susceptibility measurements(2-300 K)revealed significant antiferromagnetic coupling in both complexes,with their effective magnetic moments decreasing markedly as the temperature lowered.CCDC:2457554,HU23;2457553,HU24.展开更多
As large-scale astronomical surveys,such as the Sloan Digital Sky Survey(SDSS)and the Large Sky Area Multi-Object Fiber Spectroscopic Telescope(LAMOST),generate increasingly complex datasets,clustering algorithms have...As large-scale astronomical surveys,such as the Sloan Digital Sky Survey(SDSS)and the Large Sky Area Multi-Object Fiber Spectroscopic Telescope(LAMOST),generate increasingly complex datasets,clustering algorithms have become vital for identifying patterns and classifying celestial objects.This paper systematically investigates the application of five main categories of clustering techniques-partition-based,density-based,model-based,hierarchical,and“others”-across a range of astronomical research over the past decade.This review focuses on the six key application areas of stellar classification,galaxy structure analysis,detection of galactic and interstellar features,highenergy astrophysics,exoplanet studies,and anomaly detection.This paper provides an in-depth analysis of the performance and results of each method,considering their respective suitabilities for different data types.Additionally,it presents clustering algorithm selection strategies based on the characteristics of the spectroscopic data being analyzed.We highlight challenges such as handling large datasets,the need for more efficient computational tools,and the lack of labeled data.We also underscore the potential of unsupervised and semi-supervised clustering approaches to overcome these challenges,offering insight into their practical applications,performance,and results in astronomical research.展开更多
Effective control of gas-phase pollutants(volatile organic compounds(VOCs)and CO)is critical to human health and the ecological environment.Catalytic oxidation is one of the most promising technologies for achieving e...Effective control of gas-phase pollutants(volatile organic compounds(VOCs)and CO)is critical to human health and the ecological environment.Catalytic oxidation is one of the most promising technologies for achieving efficient volatile organic compounds and CO emission control.The subnano cluster catalyst can not only provide catalytic sites with multiple metal atoms,but also maintain full utilization efficiency.Almost all metal atoms in highly dispersed clusters can be used for adsorption and conversion of reactants.Recently,various types of sub-nano clusters,including subnano cluster oxides,have been developed and demonstrated excellent performance in low-temperature gas-phase pollutants combustion.In this mini review,we systematically summarize the structure,physicochemical properties,characterization,and applications of sub-nano cluster catalysts in catalytic oxidation of CO,methane,propane,propylene,toluene and its derivatives,formaldehyde and chlorinated volatile organic compounds.Finally,we have analyzed and discussed the problems and challenges faced by sub-nano cluster catalysts in both basic research and practical applications,providing a scientific basis for the design,synthesis,and application of efficient heterogeneous catalysts for CO and VOCs oxidation.展开更多
This paper proposes an equivalent modeling method for photovoltaic(PV)power stations via a particle swarm optimization(PSO)K-means clustering(KMC)algorithm with passive filter parameter clustering to address the compl...This paper proposes an equivalent modeling method for photovoltaic(PV)power stations via a particle swarm optimization(PSO)K-means clustering(KMC)algorithm with passive filter parameter clustering to address the complexities,simulation time cost and convergence problems of detailed PV power station models.First,the amplitude–frequency curves of different filter parameters are analyzed.Based on the results,a grouping parameter set for characterizing the external filter characteristics is established.These parameters are further defined as clustering parameters.A single PV inverter model is then established as a prerequisite foundation.The proposed equivalent method combines the global search capability of PSO with the rapid convergence of KMC,effectively overcoming the tendency of KMC to become trapped in local optima.This approach enhances both clustering accuracy and numerical stability when determining equivalence for PV inverter units.Using the proposed clustering method,both a detailed PV power station model and an equivalent model are developed and compared.Simulation and hardwarein-loop(HIL)results based on the equivalent model verify that the equivalent method accurately represents the dynamic characteristics of PVpower stations and adapts well to different operating conditions.The proposed equivalent modeling method provides an effective analysis tool for future renewable energy integration research.展开更多
AIM:To evaluate long-term visual field(VF)prediction using K-means clustering in patients with primary open angle glaucoma(POAG).METHODS:Patients who underwent 24-2 VF tests≥10 were included in this study.Using 52 to...AIM:To evaluate long-term visual field(VF)prediction using K-means clustering in patients with primary open angle glaucoma(POAG).METHODS:Patients who underwent 24-2 VF tests≥10 were included in this study.Using 52 total deviation values(TDVs)from the first 10 VF tests of the training dataset,VF points were clustered into several regions using the hierarchical ordered partitioning and collapsing hybrid(HOPACH)and K-means clustering.Based on the clustering results,a linear regression analysis was applied to each clustered region of the testing dataset to predict the TDVs of the 10th VF test.Three to nine VF tests were used to predict the 10th VF test,and the prediction errors(root mean square error,RMSE)of each clustering method and pointwise linear regression(PLR)were compared.RESULTS:The training group consisted of 228 patients(mean age,54.20±14.38y;123 males and 105 females),and the testing group included 81 patients(mean age,54.88±15.22y;43 males and 38 females).All subjects were diagnosed with POAG.Fifty-two VF points were clustered into 11 and nine regions using HOPACH and K-means clustering,respectively.K-means clustering had a lower prediction error than PLR when n=1:3 and 1:4(both P≤0.003).The prediction errors of K-means clustering were lower than those of HOPACH in all sections(n=1:4 to 1:9;all P≤0.011),except for n=1:3(P=0.680).PLR outperformed K-means clustering only when n=1:8 and 1:9(both P≤0.020).CONCLUSION:K-means clustering can predict longterm VF test results more accurately in patients with POAG with limited VF data.展开更多
基金supported by the National Natural Science Foundation of China(Nos.51977027 and 51967008)the Scientific and Technological Project of Yunnan Precious Metals Lab-oratory(Nos.YPML-2023050250 and YPML-2022050206).
文摘The pursuit of Ag-based alloys with both high strength and toughness has posed a longstanding chal-lenge.In this study,we investigated the cluster strengthening and grain refinement toughening mecha-nisms in fully oxidized AgMgNi alloys,which were internally oxidized at 800℃ for 8 h under an oxy-gen atmosphere.We found that Mg-O clusters contributed to the hardening(138 HV)and strengthening(376.9 MPa)of the AgMg alloy through solid solution strengthening effects,albeit at the expense of duc-tility.To address this limitation,we introduced Ni nanoparticles into the AgMg alloy,resulting in signifi-cant grain refinement within its microstructure.Specifically,the grain size decreased from 67.2μm in the oxidized AgMg alloy to below 6.0μm in the oxidized AgMgNi alloy containing 0.3 wt%Ni.Consequently,the toughness increased significantly,rising from toughness value of 2177.9 MJ m^(-3) in the oxidized AgMg alloy to 6186.1 MJ m^(-3) in the oxidized AgMgNi alloy,representing a remarkable 2.8-fold enhancement.Furthermore,the internally oxidized AgMgNi alloy attained a strength of up to 387.6 MPa,comparable to that of the internally oxidized AgMg alloy,thereby demonstrating the successful realization of concurrent strengthening and toughening.These results collectively offer a novel approach for the design of high-performance alloys through the synergistic combination of cluster strengthening and grain refinement toughening.
基金supported by the National Key R&D Program of China(No.2023YFB3712504)the National Natural Science Foundation of China(Nos.22273038,22073043,and 22033004)。
文摘Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc-tion with the domain-based local pair natural orbital(DLPNO)method,has been applied to assess the average binding energies(ABEs)of large benzene clus-ters,specifically(C6H6)13,at the coupled cluster singles and doubles with perturbative triples correction[CCSD(T)]level and the complete basis set(CBS)limit.Utilizing GEBF-DLPNO-CCSD(T)/CBS ABEs as benchmarks,various DFT functionals were evaluated.It was found that several functionals with empirical dispersion correction,including M06-2X-D3,B3LYP-D3(BJ),and PBE-D3(BJ),provide accurate descriptions of the ABEs for(C6H6)13 clusters.Additionally,the M06-2X-D3 functional was used to calculate the ABEs and relative stabili-ties of(C6H6)n clusters for n=11,12,13,14,and 15 revealing that the(C6H6)13 cluster ex-hibits the highest relative stability.These findings align with experimental evidence suggest-ing that n=13 is one of the magic numbers for benzene clusters(C6H6)n,with n≤30.
基金supported by the National Key Research and Development Program of China(Grant Nos.2021YFC3000705 and 2021YFC3000705-05)the National Natural Science Foundation of China(Grant No.42074049)the Youth Innovation Promotion Association of the Chinese Academy of Sciences(Grant No.2023471).
文摘We propose a robust earthquake clustering method:the Bayesian Gaussian mixture model with nearest-neighbor distance(BGMM-NND)algorithm.Unlike the conventional nearest neighbor distance method,the BGMM-NND algorithm eliminates the need for hyperparameter tuning or reliance on fixed thresholds,offering enhanced flexibility for clustering across varied seismic scales.By integrating cumulative probability and BGMM with principal component analysis(PCA),the BGMM-NND algorithm effectively distinguishes between background and triggered earthquakes while maintaining the magnitude component and resolving the issue of excessively large spatial cluster domains.We apply the BGMM-NND algorithm to the Sichuan–Yunnan seismic catalog from 1971 to 2024,revealing notable variations in earthquake frequency,triggering characteristics,and recurrence patterns across different fault zones.Distinct clustering and triggering behaviors are identified along different segments of the Longmenshan Fault.Multiple seismic modes,namely,the short-distance mode,the medium-distance mode,the repeating-like mode,the uniform background mode,and the Wenchuan mode,are uncovered.The algorithm's flexibility and robust performance in earthquake clustering makes it a valuable tool for exploring seismicity characteristics,offering new insights into earthquake clustering and the spatiotemporal patterns of seismic activity.
文摘Under hydrothermal and solvothermal conditions,two novel cobalt-based complexes,{[Co_(2)(CIA)(OH)(1,4-dtb)]·3.2H_(2)O}n(HU23)and{[Co_(2)(CIA)(OH)(1,4-dib)]·3.5H2O·DMF}n(HU24),were successfully constructed by coordinatively assembling the semi-rigid multidentate ligand 5-(1-carboxyethoxy)isophthalic acid(H₃CIA)with the Nheterocyclic ligands 1,4-di(4H-1,2,4-triazol-4-yl)benzene(1,4-dtb)and 1,4-di(1H-imidazol-1-yl)benzene(1,4-dib),respectively,around Co^(2+)ions.Single-crystal X-ray diffraction analysis revealed that in both complexes HU23 and HU24,the CIA^(3-)anions adopt aκ^(7)-coordination mode,bridging six Co^(2+)ions via their five carboxylate oxygen atoms and one ether oxygen atom.This linkage forms tetranuclear[Co4(μ3-OH)2]^(6+)units.These Co-oxo cluster units were interconnected by CIA^(3-)anions to assemble into 2D kgd-type structures featuring a 3,6-connected topology.The 2D layers were further connected by 1,4-dtb and 1,4-dib,resulting in 3D pillar-layered frameworks for HU23 and HU24.Notably,despite the similar configurations of 1,4-dtb and 1,4-dib,differences in their coordination spatial orientations lead to topological divergence in the 3D frameworks of HU23 and HU24.Topological analysis indicates that the frameworks of HU23 and HU24 can be simplified into a 3,10-connected net(point symbol:(4^(10).6^(3).8^(2))(4^(3))_(2))and a 3,8-connected tfz-d net(point symbol:(4^(3))_(2)((4^(6).6^(18).8^(4)))),respectively.This structural differentiation confirms the precise regulatory role of ligands on the topology of metal-organic frameworks.Moreover,the ultraviolet-visible absorption spectra confirmed that HU23 and HU24 have strong absorption capabilities for ultraviolet and visible light.According to the Kubelka-Munk method,their bandwidths were 2.15 and 2.08 eV,respectively,which are consistent with those of typical semiconductor materials.Variable-temperature magnetic susceptibility measurements(2-300 K)revealed significant antiferromagnetic coupling in both complexes,with their effective magnetic moments decreasing markedly as the temperature lowered.CCDC:2457554,HU23;2457553,HU24.
文摘As large-scale astronomical surveys,such as the Sloan Digital Sky Survey(SDSS)and the Large Sky Area Multi-Object Fiber Spectroscopic Telescope(LAMOST),generate increasingly complex datasets,clustering algorithms have become vital for identifying patterns and classifying celestial objects.This paper systematically investigates the application of five main categories of clustering techniques-partition-based,density-based,model-based,hierarchical,and“others”-across a range of astronomical research over the past decade.This review focuses on the six key application areas of stellar classification,galaxy structure analysis,detection of galactic and interstellar features,highenergy astrophysics,exoplanet studies,and anomaly detection.This paper provides an in-depth analysis of the performance and results of each method,considering their respective suitabilities for different data types.Additionally,it presents clustering algorithm selection strategies based on the characteristics of the spectroscopic data being analyzed.We highlight challenges such as handling large datasets,the need for more efficient computational tools,and the lack of labeled data.We also underscore the potential of unsupervised and semi-supervised clustering approaches to overcome these challenges,offering insight into their practical applications,performance,and results in astronomical research.
基金supported by the National Natural Science Foundation of China(No.22506042)the Natural Science Foundation of Henan Province(Nos.252300421710 and 252300421552)the High level Talent Research Launch Fund of Henan University of Technology(No.2024BS061).
文摘Effective control of gas-phase pollutants(volatile organic compounds(VOCs)and CO)is critical to human health and the ecological environment.Catalytic oxidation is one of the most promising technologies for achieving efficient volatile organic compounds and CO emission control.The subnano cluster catalyst can not only provide catalytic sites with multiple metal atoms,but also maintain full utilization efficiency.Almost all metal atoms in highly dispersed clusters can be used for adsorption and conversion of reactants.Recently,various types of sub-nano clusters,including subnano cluster oxides,have been developed and demonstrated excellent performance in low-temperature gas-phase pollutants combustion.In this mini review,we systematically summarize the structure,physicochemical properties,characterization,and applications of sub-nano cluster catalysts in catalytic oxidation of CO,methane,propane,propylene,toluene and its derivatives,formaldehyde and chlorinated volatile organic compounds.Finally,we have analyzed and discussed the problems and challenges faced by sub-nano cluster catalysts in both basic research and practical applications,providing a scientific basis for the design,synthesis,and application of efficient heterogeneous catalysts for CO and VOCs oxidation.
基金supported by the Research Project of China Southern Power Grid(No.056200KK52222031).
文摘This paper proposes an equivalent modeling method for photovoltaic(PV)power stations via a particle swarm optimization(PSO)K-means clustering(KMC)algorithm with passive filter parameter clustering to address the complexities,simulation time cost and convergence problems of detailed PV power station models.First,the amplitude–frequency curves of different filter parameters are analyzed.Based on the results,a grouping parameter set for characterizing the external filter characteristics is established.These parameters are further defined as clustering parameters.A single PV inverter model is then established as a prerequisite foundation.The proposed equivalent method combines the global search capability of PSO with the rapid convergence of KMC,effectively overcoming the tendency of KMC to become trapped in local optima.This approach enhances both clustering accuracy and numerical stability when determining equivalence for PV inverter units.Using the proposed clustering method,both a detailed PV power station model and an equivalent model are developed and compared.Simulation and hardwarein-loop(HIL)results based on the equivalent model verify that the equivalent method accurately represents the dynamic characteristics of PVpower stations and adapts well to different operating conditions.The proposed equivalent modeling method provides an effective analysis tool for future renewable energy integration research.
基金Supported by the Korea Health Technology R&D Project through the Korea Health Industry Development Institute(KHIDI),the Ministry of Health&Welfare,Republic of Korea(No.RS-2020-KH088726)the Patient-Centered Clinical Research Coordinating Center(PACEN),the Ministry of Health and Welfare,Republic of Korea(No.HC19C0276)the National Research Foundation of Korea(NRF),the Korea Government(MSIT)(No.RS-2023-00247504).
文摘AIM:To evaluate long-term visual field(VF)prediction using K-means clustering in patients with primary open angle glaucoma(POAG).METHODS:Patients who underwent 24-2 VF tests≥10 were included in this study.Using 52 total deviation values(TDVs)from the first 10 VF tests of the training dataset,VF points were clustered into several regions using the hierarchical ordered partitioning and collapsing hybrid(HOPACH)and K-means clustering.Based on the clustering results,a linear regression analysis was applied to each clustered region of the testing dataset to predict the TDVs of the 10th VF test.Three to nine VF tests were used to predict the 10th VF test,and the prediction errors(root mean square error,RMSE)of each clustering method and pointwise linear regression(PLR)were compared.RESULTS:The training group consisted of 228 patients(mean age,54.20±14.38y;123 males and 105 females),and the testing group included 81 patients(mean age,54.88±15.22y;43 males and 38 females).All subjects were diagnosed with POAG.Fifty-two VF points were clustered into 11 and nine regions using HOPACH and K-means clustering,respectively.K-means clustering had a lower prediction error than PLR when n=1:3 and 1:4(both P≤0.003).The prediction errors of K-means clustering were lower than those of HOPACH in all sections(n=1:4 to 1:9;all P≤0.011),except for n=1:3(P=0.680).PLR outperformed K-means clustering only when n=1:8 and 1:9(both P≤0.020).CONCLUSION:K-means clustering can predict longterm VF test results more accurately in patients with POAG with limited VF data.
