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Micelle-directed self-assembly of single-crystal-like mesoporous stoichiometric oxides for high-performance lithium storage

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National Science Review 2024年第4期11卷 195-205页

作者： Yanhua Wan Changyao Wang Xingmiao Zhang Yang Yin Mengmeng Liu Bing Ma Linlin Duan Yuzhu Ma Wei Zhang Changlin Zheng Dongliang Chao Fei Wang Yongyao Xia Wei Li Department of Chemistry Laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials State Key Laboratory of Molecular Engineering of Polymers College of Chemistry and Materials ScienceFudan University state key laboratory of Surface Physics and Department of Physics Fudan University

Due to their uncontrollable assembly and crystallization process,the synthesis of mesoporous metal oxide single crystals remains a formidable ***,we report the synthesis of single-crystal-like mesoporous Li2TiSiO5by using soft micelles as *** key lies in the atomic-scale self-assembly and step-crystallization processes,which ensure the formation of single-crystal-like mesoporous Li2TiSiO5microparticles via an oriented attachment growth mechanism under the confinement of an in-situ formed carbon *** mesoporous Li2TiSiO5anode achieves a superior rate capability(148 mAh g-1at5.0 A g-1) and outstanding long-term cycling stability(138 mAh g-1after 3000 cycles at 2.0 A g-1) for lithium storage as a result of the ultrafast Li+diffusion caused by penetrating mesochannels and nanosized crystal frameworks（5-10 nm）.In comparison,bulk Li2TiSiO5exhibits poor rate capability and cycle performance due to micron-scale diffusion *** method is very simple and reproducible,heralding a new way of designing and synthesizing mesoporous single crystals with controllable frameworks and chemical functionalities.

关键词： mesoporous materials micelles single-crystal-like Li2TiSiO5 lithium-ion batteries

Rapid and controllable in-situ self-assembly of main-group metal nanofilms for highly efficient CO_(2)electroreduction to liquid fuel in flow cells

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Nano Research 2024年第6期17卷 5718-5725页

作者： Miao Wang Huaizhu Wang Yaoda Wang Junchuan Liang Mengfei Zhu Jiarui Li Zuoxiu Tie Zhong Jin state key laboratory of Coordination Chemistry MOE Key Laboratory of Mesoscopic ChemistryMOE Key Laboratory of High Performance Polymer Materials and TechnologyJiangsu Key Laboratory of Advanced Organic MaterialsTianchang New Materials and Energy Technology Researc

The electrocatalytic reduction of CO_(2)is a promising pathway to generate renewable fuels and ***,its advancement is impeded by the absence of electrocatalysts with both high selectivity and ***,we present a scalable in-situ thermal evaporation technique for synthesizing series of Bi,In,and Sn nanofilms on carbon felt(CF)substrates with a high-aspect-ratio *** resulting main-group metal nanofilms exhibit a homogeneously distributed and highly exposed catalyst surface with ample active sites,thereby promoting mass transport and ad-/desorption of reaction *** from the unique fractal morphology,the Bi nanofilms deposited on CF exhibit optimal catalytic activities for CO_(2)electroreduction among the designed metal nanofilms electrodes,with the highest Faradaic efficiency of 96.9%for formate production at−1.3 V *** hydrogen electrode(RHE)in *** an industrially relevant current density of 221.4 mA·cm−2 in flow cells,the Bi nanofilms retain a high Faradaic efficiency of 81.7%at−1.1 V(***)and a good long-term stability for formate ***,a techno-economic analysis(TEA)model shows the potential commercial viability of electrocatalytic CO_(2)conversion into formate using the Bi nanofilms *** results offer a green and convenient approach for in-situ fabrication of stable and inexpensive thin-film catalysts with a fractal structure applicable to various industrial settings.

关键词： CO_(2)electroreduction non-noble metal nanofilms flow cells efficiency and selectivity techno-economic analysis

Space truss construction modeling based on on-orbit assembly motion feature

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Chinese Journal of Aeronautics 2024年第3期37卷 365-379页

作者： Changjie ZHAO Weizhong GUO Meng CHEN Jiaxing HU Youcheng HAN Rongfu LIN state key Lab of Mechanical System and vibration Shanghai Jiao Tong UniversityShanghai 200240China Institute of Aerospace System Engineering Shanghai Shanghai 201109China

More space truss construction has been planned to develop and utilize space *** trusses are designed in the way of large-scale,complex,modular,and on-orbit *** meet the upcoming challenge of large-scale space infrastructure construction,it is necessary to study space truss automation design and robotic *** paper proposes an ordinal finite screw adjacency matrix model(OFSAMM),focusing on the relationship between assembly motions,to express and compute a space truss *** this model,a space truss is abstracted as a set of ordered assembly motions,each of which is recorded as a finite screw as the basic element of the truss and its *** operation of truss transformation is also derived under this ***,the truss configuration,the assembly sequence,the truss sub-assembly,the truss components,and the on-orbit assembly task can be expressed and calculated in a unified model,which is calculated and stores the truss topology and assembly with the minimum storage *** the end of this paper,we introduce how to synthesize and optimize space truss design through two *** study will help to improve design ***,it provides a theoretical basis for the automatic construction of space truss structures,especially in the next stage.

关键词： Adjacency matrix Finite screw On-orbit construction modeling Space applications Space trusses Topology design

PDE Standardization Analysis and Solution of TypicalMechanics Problems

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Computer Modeling in Engineering & Sciences 2024年第10期141卷 171-186页

作者： Ningjie Wang Yihao Wang Yongle Pei Luxian Li state key laboratory for Strength and vibration of Mechanical Structures Shaanxi Key Laboratory of Environment and Control for Flight VehicleSchool of Aerospace EngineeringXi’an Jiaotong UniversityXi’an710049China Xi’an Institute of Optics and Precision Mechanics of Chinese Academy of Sciences Xi’an710119China

A numerical approach is an effective means of solving boundary value problems(BVPs).This study focuses on physical problems with general partial differential equations(PDEs).It investigates the solution approach through the standard forms of the PDE module in *** typical mechanics problems are exemplified:The deflection of a thin plate,which can be addressed with the dedicated finite element module,and the stress of a pure bending beamthat cannot be *** procedure for the two problems regarding the three standard forms required by the PDE module is *** results were in good agreement with the literature,indicating that the PDE module provides a promising means to solve complex PDEs,especially for those a dedicated finite element module has yet to be developed.

关键词： Three standard forms expression input PDE module deflection solution stress solution

Recent advances in protein conformation sampling by combining machine learning with molecular simulation

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Chinese Physics B 2024年第3期33卷 80-87页

作者：唐一鸣杨中元姚逸飞周运谈圆王子超潘瞳熊瑞孙俊力韦广红 Department of Physics State Key Laboratory of Surface Physicsand Key Laboratory for Computational Physical Sciences (Ministry of Education)Shanghai 200438China

The rapid advancement and broad application of machine learning(ML)have driven a groundbreaking revolution in computational *** of the most cutting-edge and important applications of ML is its integration with molecular simulations to improve the sampling efficiency of the vast conformational space of large *** review focuses on recent studies that utilize ML-based techniques in the exploration of protein conformational *** first highlight the recent development of ML-aided enhanced sampling methods,including heuristic algorithms and neural networks that are designed to refine the selection of reaction coordinates for the construction of bias potential,or facilitate the exploration of the unsampled region of the energy ***,we review the development of autoencoder based methods that combine molecular simulations and deep learning to expand the search for protein ***,we discuss the cutting-edge methodologies for the one-shot generation of protein conformations with precise Boltzmann ***,this review demonstrates the promising potential of machine learning in revolutionizing our insight into the complex conformational ensembles of proteins.

关键词： machine learning molecular simulation protein conformational space enhanced sampling

IP2vec: an IP node representation model for IP geolocation

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Frontiers of Computer Science 2024年第6期18卷 186506-186506页

作者： ZHANG Fan YIN Meijuan LIU Fenlin LUO Xiangyang ZU Shuodi state key laboratory of Mathematical Engineering and Advanced Computing key laboratory of Cyberspace Situation Awareness of Henan Province

IP geolocation is essential for the territorial analysis of sensitive network entities, location-based services (LBS) and network fraud detection. It has important theoretical significance and application value. Measurement-based IP geolocation is a hot research topic. However, the existing IP geolocation algorithms cannot effectively utilize the distance characteristics of the delay, and the nodes’ connection relation, resulting in high geolocation error. It is challenging to obtain the mapping between delay, nodes’ connection relation, and geographical location. Based on the idea of network representation learning, we propose a representation learning model for IP nodes (IP2vec for short) and apply it to street-level IP geolocation. IP2vec model vectorizes nodes according to the connection relation and delay between nodes so that the IP vectors can reflect the distance and topological proximity between IP nodes. The steps of the street-level IP geolocation algorithm based on IP2vec model are as follows: Firstly, we measure landmarks and target IP to obtain delay and path information to construct the network topology. Secondly, we use the IP2vec model to obtain the IP vectors from the network topology. Thirdly, we train a neural network to fit the mapping relation between vectors and locations of landmarks. Finally, the vector of target IP is fed into the neural network to obtain the geographical location of target IP. The algorithm can accurately infer geographical locations of target IPs based on delay and topological proximity embedded in the IP vectors. The cross-validation experimental results on 10023 target IPs in New York, Beijing, Hong Kong, and Zhengzhou demonstrate that the proposed algorithm can achieve street-level geolocation. Compared with the existing algorithms such as Hop-Hot, IP-geolocater and SLG, the mean geolocation error of the proposed algorithm is reduced by 33%, 39%, and 51%, respectively.

关键词： IP geolocation network measurement node embedding

Atmospheric transmission algorithm for pulsed X-rays from high-altitude nuclear detonations based on scattering correction

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Nuclear Science and Techniques 2024年第3期35卷 40-52页

作者： Ding-Han Zhu Xiong Zhang Xiao-Qiang Li Peng Li Yan-Bin Wang Shuang Zhang state key laboratory of NBC Protection for Civilian Beijing 102205China

In high-altitude nuclear detonations,the proportion of pulsed X-ray energy can exceed 70%,making it a specific monitoring signal for such *** pulsed X-rays can be captured using a satellite-borne X-ray detector following atmospheric *** quantitatively analyze the effects of different satellite detection altitudes,burst heights,and transmission angles on the physical processes of X-ray transport and energy fluence,we developed an atmospheric transmission algorithm for pulsed X-rays from high-altitude nuclear detonations based on scattering *** proposed method is an improvement over the traditional analytical method that only computes direct-transmission *** traditional analytical method exhibits a maximum relative error of 67.79% compared with the Monte Carlo *** improved method reduces this error to within 10% under the same conditions,even reaching 1% in certain ***,its computation time is 48,000 times faster than that of the Monte Carlo *** results have important theoretical significance and engineering application value for designing satellite-borne nuclear detonation pulsed X-ray detectors,inverting nuclear detonation source terms,and assessing ionospheric effects.

关键词： High-altitude nuclear detonation Atmospheric transmission Pulsed X-rays Scattering correction Analytical method Monte Carlo method

Study on a conical bearing for acceleration-sensitive equipment

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Earthquake Engineering and Engineering vibration 2024年第1期23卷 103-128页

作者： Pang Hui Xu Wen Dai Junwu Jiang Tao key laboratory of Earthquake Engineering and Engineering vibration Institute of Engineering MechanicsChina Earthquake AdministrationHarbin 150080China key laboratory of Earthquake Disaster Mitigation Ministry of Emergency ManagementHarbin 150080China School of Civil Engineering and Transportation Beihua UniversityJilin 132013China

Seismic isolation effectively reduces seismic demands on building structures by isolating the superstructure from ground vibrations during ***,isolation strategies give less attention to acceleration-sensitive systems or ***,as the isolation layer’s displacement grows,the stiffness and frequency of traditional rolling and sliding isolation bearings increases,potentially causing self-centering and resonance *** a result,a new conical pendulum bearing has been selected for acceleration-sensitive equipment to increase self-centering capacity,and additional viscous dampers are incorporated to enhance system ***,the theoretical formula for conical pendulum bearings is supplied to analyze the device’s dynamic parameters,and shake table experiments are used to determine the proposed device’s isolation efficiency under various *** to the test results,the newly proposed devices have remarkable isolation performance in terms of minimizing both acceleration and displacement ***,a numerical model of the isolation system is provided for further research,and the accuracy is demonstrated by the aforementioned experiments.

关键词： seismic isolation acceleration-sensitive equipment the conical pendulum bearing shake table tests isolation performance,numerical model

Insights into the role of oxygen-containing functional groups on carbon surface in water–electricity generation

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Nano Research 2024年第7期17卷 6645-6653页

作者： Wan Xue Zongbin Zhao Honghui Bi Bolun Zhang Xuzhen Wang Jieshan Qiu state key laboratory of Fine Chemicals Liaoning Key Laboratory for Energy Materials and Chemical EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China state key laboratory of Fine Chemicals Liaoning Key Laboratory for Energy Materials and Chemical EngineeringSchool of ChemistryDalian University of TechnologyDalian 116024China state key laboratory of Chemical Resource Engineering College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China

A deep understanding of the electricity generation mechanism from the interaction between water molecules and carbon material surfaces is attractive for next-generation water-based energy conversion and storage ***,an asymmetric generator was assembled based on functionalized carbon nanotubes films to investigate the relative contribution from various oxygen functional groups on carbon surface to the water-electrical *** and calculations demonstrate that the electricity mainly originates from the water molecule adsorption by carboxyl groups and dissociation of functional groups on carbon surface,which leads to the formation of electrical double layers at *** device allows the electricity generation with a variety of water sources,such as deionized water,tap water,as well as *** particular,the generator based on carboxyl carbon nanotubes can induce a voltage of over 200 mV spontaneously in natural seawater with the power density of about 0.11 mW·g^(−1).High voltages can be achieved easily through the series-connection strategy to power electronic products such as a liquid crystal *** work reveals the dominant role of carboxyl groups in carbon-based water–electricity conversion and is expected to offer inspiration for the preparation of carbon materials with high electrical performance.

关键词： electricity generation water adsorption dissociation carboxyl groups carbon nanotubes