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Journal of Energy Chemistry 2025年第1期100卷 760-769页

作者： Lin Peng Yu Bai Hang Li Meixiu Qu Zhenhua Wang Kening Sun Advanced Research institute of Multidisciplinary Science Beijing Institute of Technology beijing Key Laboratory of Chemical Power Source and Green Catalysis School of Chemistry and Chemical Engineering Beijing Institute of Technology

Lithium-sulfur （Li-S） batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish redox ***,we supply a strategy to optimize the electron structure of Ni2P by concurrently introducing B-doped atoms and P vacancies in Ni2P （Vp-B-Ni2P）,thereby enhancing the bidirectional sulfur *** study indicates that the simultaneous introduction of B-doped atoms and P vacancies in Ni2P causes the redistribution of electron around Ni atoms,bringing about the upward shift of d-band center of Ni atoms and effective d-p orbital hybridization between Ni atoms and sulfur species,thus strengthening the chemical anchoring for lithium polysulfides （LiPSs） as well as expediting the bidirectional conversion kinetics of sulfur ***,theoretical calculations reveal that the incorporation of B-doped atoms and P vacancies in Ni2P selectively promotes Li2S dissolution and nucleation ***,the Li-S batteries with Vp-B-Ni2P-separators present outstanding rate ability of 777 m A h g-1at 5 C and high areal capacity of 8.03 mA h cm-2under E/S of 5μL mg-1and sulfur loading of 7.20 mg *** work elucidates that introducing heteroatom and vacancy in metal phosphide collaboratively regulates the electron structure to accelerate bidirectional sulfur conversion.

关键词： Lithium sulfur batteries

Precise gradient separation of nanoparticles using reduced graphene oxide-polyoxomolybdate membranes

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Science China Chemistry 2025年第1期68卷 209-216页

作者： Yixin Yang Wanlei Zhao Ruoxuan Zheng Hongqiang Li Wei Chen Yu-Fei Song State Key Laboratory of Chemical Resource engineering Beijing University of Chemical Technology Quzhou institute for Innovation in Resource Chemical engineering

The purification and size sieving of nanoparticles （NPs） represents a significant scientific ***,the r GO-polyoxometalates (POMs=PMo12,Mo132and Mo368) membranes were fabricated successfully via a simple and scalable POMsassisted in-situ photoreduction *** the mass ratio of r GO to PMo12was 1:30,the resultant r GO-PMo12membranes with highly ordered and uniform nanochannels of 1.0 nm can be obtained,which showed an accurate carbon quantum dots（CQDs） separation with a cut-off size approximately 1.0 *** increase of the size of the interlayered POMs from PMo12（1.0 nm）,{Mo132}（2.9 nm） to{Mo368}（3.8 nm）,the resultant r GO-PMo12,r GO-Mo132and r GO-Mo368exhibited precise gradient separation of CQDs and Au nanoparticles by size exclusion *** results pave a promising way to construct new twodimensional （2D） membranes for highly efficient size-selective separation.

关键词： reduced graphene oxide polyoxometalates membranes gradient separation nanoparticles

A Novel Model for Describing Rail Weld Irregularities and Predicting Wheel-Rail Forces Using a Machine Learning Approach

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Computer Modeling in engineering & Sciences 2025年第1期142卷 555-577页

作者： Linlin Sun Zihui Wang Shukun Cui Ziquan Yan Weiping Hu Qingchun Meng State Key Laboratory of High-Speed Railway Track system China Academy of Railway Sciences Corporation LimitedBeijing100081China Railway engineering Research institute China Academy of Railway Sciences Corporation LimitedBeijing100081China School of Aeronautic Science and engineering Beihang UniversityBeijing100191China

Rail weld irregularities are one of the primary excitation sources for vehicle-track interaction dynamics in modern high-speed *** can cause significant wheel-rail dynamic interactions,leading to wheel-rail noise,component damage,and *** researchers have employed the vehicle-track interaction dynamic model to study the dynamic interactions between wheel and rail induced by rail weld geometry ***,the cosine wave model used to simulate rail weld irregularities mainly focuses on the maximum value and neglects the geometric *** this study,novel theoretical models were developed for three categories of rail weld irregularities,based on measurements of the high-speed railway from beijing to *** vertical dynamic forces in the time and frequency domains were compared under different running *** forces generated by the rail weld irregularities that were measured and modeled,respectively,were compared to validate the accuracy of the proposed ***,based on the numerical study,the impact force due to rail weld irrregularity is modeled using an Artificial Neural Network(ANN),and the optimum combination of parameters for this model is *** results showed that the proposed model provided a more accurate wheel/rail dynamic evaluation caused by rail weld irregularities than that established in the *** ANN model used in this paper can effectively predict the impact force due to rail weld irrregularity while reducing the computation time.

关键词： Rail weld irregularity high-speed railway vehicle-track coupled dynamics wheel/rail dynamic vertical force artificial neural networks

Research status and prospects of the fractal analysis of metal material surfaces and interfaces

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 20-38页

作者： Qinjin Dai Xuefeng Liu Xin Ma Shaojie Tian Qinghe Cui beijing Advanced Innovation Center for Materials Genome engineering University of Science and Technology BeijingBeijing 100083China beijing Laboratory of Metallic Materials and Processing for Modern Transportation University of Science and Technology BeijingBeijing 100083China Laboratory for Advanced Materials Processing of Ministry of Education University of Science and Technology BeijingBeijing 100083China School of Mechanical and Electrical engineering Xinjiang Institute of EngineeringUrumqi 830023China

As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine *** analysis has been used to characterize the shapes of metal materials at various scales and *** methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and ***,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal *** the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear *** relationship between the fractal dimensions and properties of metal material surfaces and interfaces is *** from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be *** is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.

关键词： metal material surfaces and interfaces fractal analysis fractal dimension homogeneity

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Fractal autoencoder with redundancy regularization for unsupervised feature selection

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Science China(Information Sciences) 2025年

作者： Meiting SUN Fangyu LI Honggui HAN School of Information Science and Technology Beijing University of Technology beijing Key Laboratory of Computational Intelligence and Intelligent system engineering Research Center of Digital Community Ministry of Education beijing institute of Artificial Intelligence(beijing)

Feature selection is a crucial step in data preprocessing because feature selection reduces the dimensionality of data by eliminating irrelevant and redundant features. Since manual labeling is expensive, unsupervised feature selection has received increasing attention in recent years. However, existing unsupervised feature selection methods tend to prioritize selecting highly correlated features over exploring feature diversity. Thus, a regularized fractal autoencoder (RFAE) method is proposed to select informative features in an unsupervised way. Specifically, the fractal autoencoder network extends autoencoders to construct a correspondence neural network and a selection neural network. The correspondence neural network exploits interfeature correlations and the selection neural network selects the informative features. A redundancy regularization strategy consists of a redundancy elimination regularization term based on the dependency between features and a sparse regularization term based on the group lasso. The redundancy regularization strategy eliminates feature subset redundancy and enhances network generalization ability. Extensive experimental results on six publicly available datasets show that the proposed RFAE outperforms the compared methods regarding clustering accuracy and classification accuracy. Moreover, the proposed RFAE achieves acceptable computation efficiency.

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Inexact proximal gradient algorithm with random reshuffling for nonsmooth optimization

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Science China(Information Sciences) 2025年第1期68卷 219-237页

作者： Xia JIANG Yanyan FANG Xianlin ZENG Jian SUN Jie CHEN National Key Lab of Autonomous Intelligent Unmanned systems School of AutomationBeijing Institute of Technology beijing institute of Technology Chongqing Innovation Center School of Electronic and Information engineering Tongji University

Proximal gradient algorithms are popularly implemented to achieve convex optimization with nonsmooth regularization. Obtaining the exact solution of the proximal operator for nonsmooth regularization is challenging because errors exist in the computation of the gradient; consequently, the design and application of inexact proximal gradient algorithms have attracted considerable attention from researchers. This paper proposes computationally efficient basic and inexact proximal gradient descent algorithms with random reshuffling. The proposed stochastic algorithms take randomly reshuffled data to perform successive gradient descents and implement only one proximal operator after all data pass through. We prove the convergence results of the proposed proximal gradient algorithms under the sampling-without-replacement reshuffling *** computational errors exist in gradients and proximal operations, the proposed inexact proximal gradient algorithms can converge to an optimal solution neighborhood. Finally, we apply the proposed algorithms to compressed sensing and compare their efficiency with some popular algorithms.

关键词： proximal operator random reshuffling inexact computation compressed sensing nonsmooth optimization

Buried interface bridging for inverted cesium-formamidinium triiodide perovskite solar cells with long operational stability

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Science China Chemistry 2025年第1期68卷 163-173页

作者： Chenhui Zhang Chunjun Liang Fulin Sun Ting Zhu Xinghai Huang Yuzhu Guo Xinyu Guo Kunyang Ge Dan Li Fangtian You Zhiqun He Key Laboratory of Luminescence and Optical Information Ministry of Education Institute of Optoelectronic TechnologyBeijing Jiaotong University Department of Physics School of Physical Science and Engineering Beijing Jiaotong University

In the field of perovskite solar cells(PSCs), the research on defects in the buried interface has been relatively limited due to its non-exposure; however, this interface significantly impacts the performance enhancement of inverted PSCs. This study employs phenylethylammonium chloride(PEACl) molecules as a buffer layer to modify the buried interface of p-i-n structured PSCs,aiming to enhance the uniformity of self-assembled monolayers(SAMs) and facilitate the uniform nucleation and growth of perovskite films on the substrate. Furthermore, the introduction of the PEACl buffer layer effectively passivates defects at the bottom of the perovskite layer and notably enhances the crystal quality of the perovskite film by mitigating residual stress,thereby reducing nonradiative recombination loss. Following these optimizations, the MA-free PSCs treated with PEACl achieve a power conversion efficiency(PCE) of 24.11%, with significant improvements in storage, thermal stability, and operational stability. Particularly noteworthy is the device's performance in an unencapsulated state, whereas after 1,500 hours of continuous light operation stability testing, it retains 97% of its original efficiency. This study not only enriches the systematic understanding of the characteristics of the buried interface in PSCs but also contributes significantly to advancing the commercial production of perovskite photovoltaic technology.

关键词： defect-induced recombination buried interfaces inverted perovskite solar cells crystallization lattice mismatch

Numerical Simulation of Radiation Transport to Improve Microalgae Cultivation in an Air-Lift Photobioreactor

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Journal of Thermal Science 2025年第1期34卷 62-76页

作者： ZHANG Xianbin LI Mingjia HUNG Tzuchen ZHANG Zixun Key Laboratory of Thermo-Fluid Science and engineering of Ministry of Education School of Energy and Power EngineeringXi'an Jiaotong University School of Mechanical engineering Beijing Institute of Technology Department of Mechanical engineering Taipei University of Technology

A comprehensive numerical model is developed to simulate the growth of microalgae under light/dark cycling *** purpose of this study is to predict the growth rate of Chlorella vulgaris cultivated in photobioreactors(PBRs) in order to improve the light conditions for microalgae and enhance the photosynthetic *** fluid dynamics(CFD) is used to simulate its internal hydrodynamic *** Lagrangian method is employed to track the movement of microalgae *** radiative transfer equation(RTE)is used to obtain light intensity *** combination of light radiation field and microalgae cell motions is used to construct the light history and they are integrated into the model of the photosynthetic units(PSU) to calculate the microalgae growth *** numerical results demonstrate that enhanced light/dark cycling frequency with ordered mixing can promote efficient microalgae *** effect of the vortex flow field generated by the baffles in an air-lift PBR is analyzed for increasing microalgae growth *** using the 1:1 baffle spacing,the biomass production of microalgae is increased by 41.8% compared to the original PBR.

关键词： light distribution particle tracking photobioreactor structure optimization

Joint Estimation of SOH and RUL for Lithium-Ion Batteries Based on Improved Twin Support Vector Machineh

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Energy engineering 2025年第1期122卷 243-264页

作者： Liyao Yang HongyanMa Yingda Zhang Wei He School of Electrical and Information engineering Beijing University of Civil Engineering and ArchitectureBeijing100044China institute of Distributed Energy Storage Safety Big Data Beijing100044China beijing Key Laboratory of Intelligent Processing for Building Big Data Beijing100044China

Accurately estimating the State of Health(SOH)and Remaining Useful Life(RUL)of lithium-ion batteries(LIBs)is crucial for the continuous and stable operation of battery management ***,due to the complex internal chemical systems of LIBs and the nonlinear degradation of their performance,direct measurement of SOH and RUL is *** address these issues,the Twin Support Vector Machine(TWSVM)method is proposed to predict SOH and ***,the constant current charging time of the lithium battery is extracted as a health indicator(HI),decomposed using Variational Modal Decomposition(VMD),and feature correlations are computed using Importance of Random Forest Features(RF)to maximize the extraction of critical factors influencing battery performance ***,to enhance the global search capability of the Convolution Optimization Algorithm(COA),improvements are made using Good Point Set theory and the Differential Evolution *** Improved Convolution Optimization Algorithm(ICOA)is employed to optimize TWSVM parameters for constructing SOH and RUL prediction ***,the proposed models are validated using NASA and CALCE lithium-ion battery *** results demonstrate that the proposed models achieve an RMSE not exceeding 0.007 and an MAPE not exceeding 0.0082 for SOH and RUL prediction,with a relative error in RUL prediction within the range of[-1.8%,2%].Compared to other models,the proposed model not only exhibits superior fitting capability but also demonstrates robust performance.

关键词： State of health remaining useful life variational modal decomposition random forest twin support vector machine convolutional optimization algorithm

Multi-layer multi-pass friction rolling additive manufacturing of Al alloy:Toward complex large-scale high-performance components

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 425-438页

作者： Haibin Liu Run Hou Chenghao Wu Ruishan Xie Shujun Chen College of Mechanical&Energy engineering Beijing University of TechnologyBeijing 100124China Chongqing Research institute of beijing University of Technology Chongqing 401121China

At present,the emerging solid-phase friction-based additive manufacturing technology,including friction rolling additive man-ufacturing(FRAM),can only manufacture simple single-pass *** this study,multi-layer multi-pass FRAM-deposited alumin-um alloy samples were successfully prepared using a non-shoulder tool *** material flow behavior and microstructure of the over-lapped zone between adjacent layers and passes during multi-layer multi-pass FRAM deposition were studied using the hybrid 6061 and 5052 aluminum *** results showed that a mechanical interlocking structure was formed between the adjacent layers and the adja-cent passes in the overlapped center *** friction and rolling of the tool head led to different degrees of lateral flow and plastic deformation of the materials in the overlapped zone,which made the recrystallization degree in the left and right edge zones of the over-lapped zone the highest,followed by the overlapped center zone and the non-overlapped *** tensile strength of the overlapped zone exceeded 90%of that of the single-pass deposition *** is proved that although there are uneven grooves on the surface of the over-lapping area during multi-layer and multi-pass deposition,they can be filled by the flow of materials during the deposition of the next lay-er,thus ensuring the dense microstructure and excellent mechanical properties of the overlapping *** multi-layer multi-pass FRAM deposition overcomes the limitation of deposition width and lays the foundation for the future deposition of large-scale high-performance components.

关键词： aluminum alloy additive manufacturing solid-state friction stir welding multi-layer multi-pass

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