Alloying transition metals with Pt is an effective strategy for optimizing Pt-based catalysts toward the oxygen reduction reaction(ORR).Atomic ordered intermetallic compounds(IMC)provide unique electronic and geometri...Alloying transition metals with Pt is an effective strategy for optimizing Pt-based catalysts toward the oxygen reduction reaction(ORR).Atomic ordered intermetallic compounds(IMC)provide unique electronic and geometrical effects as well as stronger intermetallic interactions due to the ordered arrangement of metal atoms,thus exhibiting superior electrocata-lytic activity and durability.However,quantitatively analyzing the ordering degree of IMC and exploring the correlation between the ordering degree and ORR activity remains extremely challenging.Herein,a series of ternary Pt_(2)NiCo interme-tallic catalysts(o-Pt_(2)NiCo)with different ordering degree were synthesized by annealing temperature modulation.Among them,the o-Pt_(2)NiCo which annealed at 800℃for two hours exhibits the highest ordering degree and the optimal ORR ac-tivity,which the mass activity of o-Pt_(2)NiCo is 1.8 times and 2.8 times higher than that of disordered Pt_(2)NiCo alloy and Pt/C.Furthermore,the o-Pt_(2)NiCo still maintains 70.8%mass activity after 30,000 potential cycles.Additionally,the ORR activity test results for Pt_(2)NiCo IMC with different ordering degree also provide a positive correlation between the ordering degree and ORR activity.This work provides a prospective design direction for ternary Pt-based electrocatalysts.展开更多
Higher-order band topology not only enriches our understanding of topological phases but also unveils pioneering lower-dimensional boundary states,which harbors substantial potential for next-generation device applica...Higher-order band topology not only enriches our understanding of topological phases but also unveils pioneering lower-dimensional boundary states,which harbors substantial potential for next-generation device applications.The distinct electronic configurations and tunable attributes of two-dimensional materials position them as a quintessential platform for the realization of second-order topological insulators(SOTIs).This article provides an overview of the research progress in SOTIs within the field of two-dimensional electronic materials,focusing on the characterization of higher-order topological properties and the numerous candidate materials proposed in theoretical studies.These endeavors not only enhance our understanding of higher-order topological states but also highlight potential material systems that could be experimentally realized.展开更多
In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introduc...In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introducing only one additional evaluation of the function in each step.Furthermore,some new efficient methods with a higher-order of convergence are obtained by using only a single matrix inversion in each iteration.Analyses of convergence properties and computational efficiency of these new methods are made and testified by several numerical problems.By comparison,the new schemes are more efficient than the corresponding existing ones,particularly for large problem sizes.展开更多
The precise characterization of hypersonic glide vehicle(HGV) maneuver laws in complex flight scenarios still faces challenges. Non-stationary changes in flight state due to abrupt changes in maneuver modes place high...The precise characterization of hypersonic glide vehicle(HGV) maneuver laws in complex flight scenarios still faces challenges. Non-stationary changes in flight state due to abrupt changes in maneuver modes place high demands on the accuracy of modeling methods. To address this issue, a novel maneuver laws modeling and analysis method based on higher order multi-resolution dynamic mode decomposition(HMDMD) is proposed in this work. A joint time-space-frequency decomposition of the vehicle's state sequence in the complex flight scenario is achieved with the higher order Koopman assumption and standard multi-resolution dynamic mode decomposition, and an approximate dynamic model is established. The maneuver laws can be reconstructed and analyzed with extracted multi-scale spatiotemporal modes with clear physical meaning. Based on the dynamic model of HGV, two flight scenarios are established with constant angle of attack and complex maneuver laws, respectively. Simulation results demonstrate that the maneuver laws obtained using the HMDMD method are highly consistent with those derived from the real dynamic model, the modeling accuracy is better than other common modeling methods, and the method has strong interpretability.展开更多
The assembly of a protein complex is very important for its biological function,which can be investigated by determining the order of assembly/disassembly of its protein subunits.Although static structures of many pro...The assembly of a protein complex is very important for its biological function,which can be investigated by determining the order of assembly/disassembly of its protein subunits.Although static structures of many protein com-plexes are available in the protein data bank,their assembly/disassembly orders of subunits are largely unknown.In addition to experimental techniques for studying subcomplexes in the assembly/disassembly of a protein complex,computational methods can be used to predict the assembly/disassembly order.Since sampling is a nontrivial issue in simulating the assembly/disassembly process,coarse-grained simulations are more efficient than atomic simulations are.In this work,we developed computational protocols for predicting the assembly/disassembly orders of protein complexes via coarse-grained simulations.The protocols were illustrated via two protein complexes,and the predicted assembly/disassembly orders were consistent with the available experimental data.展开更多
部分有序数据是同时包含有序特征与无序特征的一类数据,其广泛存在于现实生活中。传统的有序分类方法或者将所有特征都视为有序特征,或者对有序与无序特征分别进行处理,忽略了二者之间的关系,这些方法难以有效解决部分有序数据上的分类...部分有序数据是同时包含有序特征与无序特征的一类数据,其广泛存在于现实生活中。传统的有序分类方法或者将所有特征都视为有序特征,或者对有序与无序特征分别进行处理,忽略了二者之间的关系,这些方法难以有效解决部分有序数据上的分类问题。针对该问题,提出一种基于特征融合的部分有序深度森林模型,称为FFDF(feature fusion-based deep forest)。利用典型相关分析的思想,设计特征融合的贡献度计算方法,将有序特征和无序特征融合到同一特征空间,统一度量二者之间的关系。对融合的特征空间进行数据粒化,降低模型处理连续变量时的复杂性。设计融合空间下的特征矩阵输入级联森林,构建部分有序的深度森林模型。在来自UCI和WEKA的13个公共数据集上与部分单调决策树、有序分类模型、深度森林模型等六种方法进行比较实验,结果表明所提方法在准确性和平均绝对误差方面均优于对比方法;与集成模型深度森林gcForest和DF21进行了时间性能上的对比实验,结果表明所提方法在时间性能上优于对比方法。展开更多
基金supported by the National Natural Science Foundation(22279036)the Innovation and Talent Recruitment Base of New Energy Chemistry and Device(B21003).
文摘Alloying transition metals with Pt is an effective strategy for optimizing Pt-based catalysts toward the oxygen reduction reaction(ORR).Atomic ordered intermetallic compounds(IMC)provide unique electronic and geometrical effects as well as stronger intermetallic interactions due to the ordered arrangement of metal atoms,thus exhibiting superior electrocata-lytic activity and durability.However,quantitatively analyzing the ordering degree of IMC and exploring the correlation between the ordering degree and ORR activity remains extremely challenging.Herein,a series of ternary Pt_(2)NiCo interme-tallic catalysts(o-Pt_(2)NiCo)with different ordering degree were synthesized by annealing temperature modulation.Among them,the o-Pt_(2)NiCo which annealed at 800℃for two hours exhibits the highest ordering degree and the optimal ORR ac-tivity,which the mass activity of o-Pt_(2)NiCo is 1.8 times and 2.8 times higher than that of disordered Pt_(2)NiCo alloy and Pt/C.Furthermore,the o-Pt_(2)NiCo still maintains 70.8%mass activity after 30,000 potential cycles.Additionally,the ORR activity test results for Pt_(2)NiCo IMC with different ordering degree also provide a positive correlation between the ordering degree and ORR activity.This work provides a prospective design direction for ternary Pt-based electrocatalysts.
基金supported by the National Natu-ral Science Foundation of China(Grants No.12174220 and No.12074217)the Shandong Provincial Science Foundation for Excellent Young Scholars(Grant No.ZR2023YQ001)+1 种基金the Taishan Young Scholar Program of Shandong Provincethe Qilu Young Scholar Pro-gram of Shandong University.
文摘Higher-order band topology not only enriches our understanding of topological phases but also unveils pioneering lower-dimensional boundary states,which harbors substantial potential for next-generation device applications.The distinct electronic configurations and tunable attributes of two-dimensional materials position them as a quintessential platform for the realization of second-order topological insulators(SOTIs).This article provides an overview of the research progress in SOTIs within the field of two-dimensional electronic materials,focusing on the characterization of higher-order topological properties and the numerous candidate materials proposed in theoretical studies.These endeavors not only enhance our understanding of higher-order topological states but also highlight potential material systems that could be experimentally realized.
基金Supported by the National Natural Science Foundation of China(12061048)NSF of Jiangxi Province(20232BAB201026,20232BAB201018)。
文摘In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introducing only one additional evaluation of the function in each step.Furthermore,some new efficient methods with a higher-order of convergence are obtained by using only a single matrix inversion in each iteration.Analyses of convergence properties and computational efficiency of these new methods are made and testified by several numerical problems.By comparison,the new schemes are more efficient than the corresponding existing ones,particularly for large problem sizes.
基金supported by the National Natural Science Foundation of China (Grant No. 12302056)the Postdoctoral Fellowship Program of CPSF:GZC20233445。
文摘The precise characterization of hypersonic glide vehicle(HGV) maneuver laws in complex flight scenarios still faces challenges. Non-stationary changes in flight state due to abrupt changes in maneuver modes place high demands on the accuracy of modeling methods. To address this issue, a novel maneuver laws modeling and analysis method based on higher order multi-resolution dynamic mode decomposition(HMDMD) is proposed in this work. A joint time-space-frequency decomposition of the vehicle's state sequence in the complex flight scenario is achieved with the higher order Koopman assumption and standard multi-resolution dynamic mode decomposition, and an approximate dynamic model is established. The maneuver laws can be reconstructed and analyzed with extracted multi-scale spatiotemporal modes with clear physical meaning. Based on the dynamic model of HGV, two flight scenarios are established with constant angle of attack and complex maneuver laws, respectively. Simulation results demonstrate that the maneuver laws obtained using the HMDMD method are highly consistent with those derived from the real dynamic model, the modeling accuracy is better than other common modeling methods, and the method has strong interpretability.
基金This work was supported by the National Key Research and Development Program of China(2021YFA1301504)the Chinese Academy of Sciences Strategic Priority Research Program(XDB37040202)the National Natural Science Foundation of China(91953101).
文摘The assembly of a protein complex is very important for its biological function,which can be investigated by determining the order of assembly/disassembly of its protein subunits.Although static structures of many protein com-plexes are available in the protein data bank,their assembly/disassembly orders of subunits are largely unknown.In addition to experimental techniques for studying subcomplexes in the assembly/disassembly of a protein complex,computational methods can be used to predict the assembly/disassembly order.Since sampling is a nontrivial issue in simulating the assembly/disassembly process,coarse-grained simulations are more efficient than atomic simulations are.In this work,we developed computational protocols for predicting the assembly/disassembly orders of protein complexes via coarse-grained simulations.The protocols were illustrated via two protein complexes,and the predicted assembly/disassembly orders were consistent with the available experimental data.
文摘部分有序数据是同时包含有序特征与无序特征的一类数据,其广泛存在于现实生活中。传统的有序分类方法或者将所有特征都视为有序特征,或者对有序与无序特征分别进行处理,忽略了二者之间的关系,这些方法难以有效解决部分有序数据上的分类问题。针对该问题,提出一种基于特征融合的部分有序深度森林模型,称为FFDF(feature fusion-based deep forest)。利用典型相关分析的思想,设计特征融合的贡献度计算方法,将有序特征和无序特征融合到同一特征空间,统一度量二者之间的关系。对融合的特征空间进行数据粒化,降低模型处理连续变量时的复杂性。设计融合空间下的特征矩阵输入级联森林,构建部分有序的深度森林模型。在来自UCI和WEKA的13个公共数据集上与部分单调决策树、有序分类模型、深度森林模型等六种方法进行比较实验,结果表明所提方法在准确性和平均绝对误差方面均优于对比方法;与集成模型深度森林gcForest和DF21进行了时间性能上的对比实验,结果表明所提方法在时间性能上优于对比方法。
