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Three-dimensional fracture of UO2 ceramic pellets by phase field modeling

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 169-180页

作者： Wei Xiong Xuan Ye Hongzhang Cheng Xiaoming Liu Institute of Nuclear and New Energy Technology Collaborative Innovation Center of Advanced Nuclear Energy Technology Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education Tsinghua University State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences School of engineering Science University of Chinese Academy of Sciences

Fracture is the primary failure type for the UO2ceramic pellets,which are operated under irradiation and thermal processes,and physically confined by the *** this work,by combining closely coupled physical processes of heat conduction,heat transfer,and mechanical deformation with the cohesive phase field framework,we proposed a high-precision modeling of quasistatic cracking of three-dimensional （3D） UO2ceramic fuel pellets under high temperature and *** simulation results agree well with the experimental results,indicating that the proposed method has the potential to capture 3D crack modes in the interested time ***,we studied the relation of the 3D fracture patterns of fuel pellets with the peak power *** was found that the power level plays a critical role in determining the competition between radial and circumferential cracks,as well as transverse penetrating cracks.

关键词： phase field method nuclear fuel pellet coupled thermo-mechanical model thermal fracture

Mesh-supported V2O5-WO3/TiO2 nanosheet array catalysts for efficient removal of NOx

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Tungsten 2025年第1期7卷 100-111页

作者： Zhi-Qi Zhang Liu Yang Wen Luo Vladimir An Jing Li Bao-Dan Liu School of Materials Science and engineering Northeastern University Foshan Graduate School of Innovation Northeastern University Kizhner Research center School of Advanced Manufacturing Technologies Tomsk Polytechnic University

The design and synthesis of vanadium-based denitration catalysts with low-temperature activity pose significant challenges in the field of toxic gas *** this study,we have developed a novel approach to fabricate highly efficient V2O5-WO3/TiO2monolithic mesh catalysts for NOxreduction at low ***,TiO2nanosheets with strong adhesion and large surface area were grown on Ti mesh using plasma electrolytic oxidation technology and hydrothermal ***,super-small traces of WO3and V2O5active nano-species were subsequently deposited on TiO2nanosheets using the deposition-precipitation *** to traditional ceramic-based V2O5-WO3/TiO2catalysts,our V2O5-WO3/TiO2monolithic mesh catalyst exhibits superior mechanical performance,excellent thermal conductivity,lower pressure drop,higher utilization of active components,and stronger synergistic ***,the V2O5-WO3/TiO2monolithic mesh catalysts exhibited excellent low-temperature catalytic activity with 98% of NOxconversion at 220℃,and remarkable long-term SO2tolerance and water resistance in the selective catalytic reduction（SCR） of NOxwith *** SCR reaction of tiny V2O5and WO3active species supported on TiO2nanosheets directly demonstrated to follow the Eley-Rideal mechanism by in situ infrared spectra.

关键词： Low temperature activity Monolithic mesh catalysts NH3-SCR SO2 tolerance V2O5-WO3/TiO2

A novel method for clustering cellular data to improve classification

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Neural Regeneration Research 2025年第9期20卷 2697-2705页

作者： Diek W.Wheeler Giorgio A.Ascoli center for Neural Informatics Structures&PlasticityKrasnow Institute for Advanced Study Bioengineering Department Volgenau School of Engineering George Mason University FairfaxVAUSA

Many fields,such as neuroscience,are experiencing the vast prolife ration of cellular data,underscoring the need fo r organizing and interpreting large datasets.A popular approach partitions data into manageable subsets via hierarchical clustering,but objective methods to determine the appropriate classification granularity are *** recently introduced a technique to systematically identify when to stop subdividing clusters based on the fundamental principle that cells must differ more between than within *** we present the corresponding protocol to classify cellular datasets by combining datadriven unsupervised hierarchical clustering with statistical *** general-purpose functions are applicable to any cellular dataset that can be organized as two-dimensional matrices of numerical values,including molecula r,physiological,and anatomical *** demonstrate the protocol using cellular data from the Janelia MouseLight project to chara cterize morphological aspects of neurons.

关键词： cellular data clustering dendrogram data classification Levene's one-tailed statistical test unsupervised hierarchical clustering

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Potential dependence in electrocatalysis: a theoretical perspective

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Science China Chemistry 2025年第1期68卷 21-25页

作者： Leyu Liu Zhaoming Xia Zeyu Wang Yinjuan Chen Hai Xiao Department of Chemistry Tsinghua University Fundamental Science center of Rare Earths Ganjiang Innovation Academy Chinese Academy of Sciences Key Laboratory of advanced Catalytic Materials and Technology Advanced Catalysis and Green Manufacturing Collaborative Innovation Center Changzhou University

Electrocatalysis is a key technology for the new energy era and sustainable development, serving as the interface for interconversion of electrical and chemical energies, which spans a wide spectrum of applications in sustainable energy and environmental engineering. Electrocatalytic reactions including electrochemical CO2reduction reaction （eCO2RR）, hydrogen evolution reaction （HER）, and oxygen evolution/reduction reactions （OER/ORR）, hold essential promise for renewable energy technologies as well as complement the biogeochemical carbon and oxygen cycles.

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High-temperature-tolerant flexible supercapacitors: Gel polymer electrolytes and electrode materials

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Journal of Energy Chemistry 2025年第1期100卷 426-457页

作者： Chong Peng Xinyi Huang Mingwei Zhao Shuling Liao Quanhong Yang Nianjun Yang Siyu Yu School of Chemistry & Chemical engineering Southwest University Nanoyang Group Tianjin Key Laboratory of Advanced Carbon and Electrochemical Energy Storage School of Chemical Engineering and Technology and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) Tianjin University Department of Chemistry & IMO-IMOMEC Hasselt University

The development of flexible supercapacitors(FSCs) capable of operating at high temperatures is crucial for expanding the application areas and operating conditions of supercapacitors. Gel polymer electrolytes and electrode materials stand as two key components that significantly impact the efficacy of hightemperature-tolerant FSCs(HT-FSCs). They should not only exhibit high electrochemical performance and excellent flexibility, but also withstand intense thermal stress. Considerable efforts have been devoted to enhancing their thermal stability while maintaining high electrochemical and mechanical performance. In this review, the fundamentals of HT-FSCs are outlined. A comprehensive overview of state-of-the-art progress and achievements in HT-FSCs, with a focus on thermally stable gel polymer electrolytes and electrode materials is provided. Finally, challenges and future perspectives regarding HT-FSCs are discussed, alongside strategies for elevating operational temperatures and *** review offers both theoretical foundations and practical guidelines for designing and manufacturing HT-FSCs, further promoting their widespread adoption across diverse fields.

关键词： Polymer membrane electrodes

Cyano migration-mediated radical-polar crossover cyclopropanation

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Science China Chemistry 2025年第1期68卷 241-248页

作者： Ziqiang Wang Yasu Chen Jie Li Chen Zhu Key Laboratory of Organic Synthesis of Jiangsu Province College of Chemistry Chemical Engineering and Materials ScienceSoochow University Frontiers Science center for Transformative Molecules Zhangjiang Institute for Advanced Study and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs Shanghai Jiao Tong University

We report a novel cyano migration-mediated radical-polar crossover process, whereby both the sulfonylcyanation of aliphatic alkenes and the formation of cyclopropanes are concurrently achieved. This transformation yields a diverse array of multisubstituted cyclopropanes under mild photocatalytic conditions. Mechanistic studies elucidate that the reaction proceeds via intramolecular nucleophilic substitution, leading to the formation of the cyclopropane derivatives.

关键词： cyclopropanation cyano migration radical-polar crossover radical reactions

Advances and applications in single-cell and spatial genomics

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Science China Life Sciences 2025年

作者： Jingjing Wang Fang Ye Haoxi Chai Yujia Jiang Teng Wang Xia Ran Qimin Xia Ziye Xu Yuting Fu Guodong Zhang Hanyu Wu Guoji Guo Hongshan Guo Yijun Ruan Yongcheng Wang Dong Xing Xun Xu Zemin Zhang Beijing advanced Innovation center for Genomics (ICG) Peking University Guangdong Provincial Key Laboratory of Genome Read and Write BGI Research Bone Marrow Transplantation center of the First Affiliated Hospital & Liangzhu Laboratory Zhejiang University School of Medicine Life Sciences Institute and The Second Affiliated Hospital Zhejiang University BGI Research Biomedical Pioneering Innovation center (BIOPIC) and School of Life Sciences Peking University Academy for advanced Interdisciplinary Studies Peking University Institute of Hematology Zhejiang University Department of Laboratory Medicine of The First Affiliated Hospital & Liangzhu Laboratory Zhejiang University School of Medicine center for Stem Cell and regenerative Medicine Zhejiang University School of Medicine Zhejiang Provincial Key Lab for Tissue engineering and regenerative Medicine Dr.Li Dak Sum & Yip Yio Chin Center for Stem Cell and Regenerative Medicine

The applications of single-cell and spatial technologies in recent times have revolutionized the present understanding of cellular states and the cellular heterogeneity inherent in complex biological systems. These advancements offer unprecedented resolution in the examination of the functional genomics of individual cells and their spatial context within tissues. In this review, we have comprehensively discussed the historical development and recent progress in the field of single-cell and spatial genomics. We have reviewed the breakthroughs in single-cell multi-omics technologies, spatial genomics methods, and the computational strategies employed toward the analyses of singlecell atlas data. Furthermore, we have highlighted the advances made in constructing cellular atlases and their clinical applications,particularly in the context of disease. Finally, we have discussed the emerging trends, challenges, and opportunities in this rapidly evolving field.

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Boosting cationic and anionic redox activity of Li-rich layered oxide cathodes via Li/Ni disordered regulation

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Journal of Energy Chemistry 2025年第1期100卷 533-543页

作者： Zewen Liu Zhen Wu Hao Wang Xudong Zhang Yuanzhen Chen Yongning Liu Shengwu Guo Shenghua Chen Yanli Nan Yan Liu State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University School of Materials Science and engineering Xi'an University of Architecture and Technology Hefei advanced Computing center Operation Management Corp Ltd Network Information center Xi'an Jiaotong University

Lithium-rich layered oxides （LLOs） are increasingly recognized as promising cathode materials for nextgeneration high-energy-density lithium-ion batteries （LIBs）.However,they suffer from voltage decay and low initial Coulombic efficiency （ICE） due to severe structural degradation caused by irreversible O ***,we introduce a three-in-one strategy of increasing Ni and Mn content,along with Li/Ni disordering and TM–O covalency regulation to boost cationic and anionic redox activity simultaneously and thus enhance the electrochemical activity of *** target material,Li1.2Ni0.168Mn0.558Co0.074O2（L1）,exhibits an improved ICE of 87.2%and specific capacity of 293.2 mA h g-1and minimal voltage decay of less than 0.53 m V cycle-1over 300 cycles at 1C,compared to Li1.2Ni0.13Mn0.54Co0.13O2（Ls）(274.4 mA h g-1for initial capacity,73.8%for ICE and voltage decay of 0.84 mV/cycle over 300 cycles at 1C).Theoretical calculations reveal that the density of states （DOS） area near the Fermi energy level for L1 is larger than that of Ls,indicating higher anionic and cationic redox reactivity than ***,L1 exhibits increased O-vacancy formation energy due to higher Li/Ni disordering of 4.76%（quantified by X-ray diffraction Rietveld refinement） and enhanced TM–O covalency,making lattice O release more difficult and thus improving electrochemical *** increased Li/Ni disordering also leads to more Ni2+presence in the Li layer,which acts as a pillar during Li+de-embedding,improving structural *** research not only presents a viable approach to designing low-Co LLOs with enhanced capacity and ICE but also contributes significantly to the fundamental understanding of structural regulation in high-performance LIB cathodes.

关键词： Ice

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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