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Cooperative structure of Li/Ni mixing and stacking faults for achieving high-capacity Co-free Li-rich oxides

Journal of Energy Chemistry 2024年第8期95卷 315-324,I0007页

作者： Zhen Wu Yu-Han Zhang Hao Wang Zewen Liu Xudong Zhang Xin Dai Kunyang Zou Xiaoming Lou Xuechen Hu Lijing Ma Yan Liu Yongning Liu State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an 710049ShaanxiChina Qingdao Industrial Energy Storage Research Institute Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101ShandongChina Hefei Advanced Computing Center Operation Management Corp Ltd Hefei 230088AnhuiChina Center for High Performance Computing Network Information CenterXi’an Jiaotong UniversityXi’an 710049ShaanxiChina Wuhan Dongfeng Motor Corporation Ltd Wuhan 430056HubeiChina School of Materials Science and Intelligent Engineering Nanjing UniversitySuzhou 215163JiangsuChina Key Laboratory of MEMS of the Ministry of Education Southeast UniversityNanjing 210096JiangsuChina International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049ShaanxiChina

Co-free Li-rich layered oxides(LLOs)are emerging as promising cathode materials for Li-ion batteries due to their low cost and high ***,they commonly face severe structural instability and poor electrochemical activity,leading to diminished capacity and voltage ***,we introduce a Co-free LLO,Li_(1.167)Ni_(0.222)Mn_(0.611)O_(2)(Cf-L1),which features a cooperative structure of Li/Ni mixing and stacking *** structure regulates the crystal and electronic structures,resulting in a higher discharge capacity of 300.6 mA h g^(-1)and enhanced rate capability compared to the typical Co-free LLO,Li_(1.2)Ni_(0.2)Mn_(0.6)O_(2)(Cf-Ls).Density functional theory(DFT)indicates that Li/Ni mixing in LLOs leads to increased Li-O-Li configurations and higher anionic redox activities,while stacking faults further optimize the electronic interactions of transition metal(TM)3d and non-bonding O 2p ***,stacking faults accommodate lattice strain,improving electrochemical reversibility during charge/discharge cycles,as demonstrated by the in situ XRD of Cf-L1 showing less lattice evolution than *** study offers a structured approach to developing Co-free LLOs with enhanced capacity,voltage,rate capability,and cyclability,significantly impacting the advancement of the next-generation Li-ion batteries.

关键词： Co-free Li-rich oxides Li/Ni mixing Stacking faults Electronic structure

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Gaussian Backbone-Based Spherical Evolutionary Algorithm with Cross-search for engineering Problems

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Journal of Bionic engineering 2024年第2期21卷 1055-1091页

作者： Yupeng Li Dong Zhao Ali Asghar Heidari Shuihua Wang Huiling Chen Yudong Zhang College of Computer Science and Technology Changchun Normal UniversityChangchun130032JilinChina School of Surveying and Geospatial Engineering College of EngineeringUniversity of TehranTehranIran School of Computing and Mathematical Sciences University of LeicesterLeicesterLE17RHUK Department of Biological Sciences Xi’an Jiaotong-Liverpool UniversitySuzhou215123JiangsuChina Key Laboratory of Intelligent Informatics for Safety and Emergency of Zhejiang Province Wenzhou UniversityWenzhou325035China School of Computer Science and Engineering Southeast UniversityNanjing210096China

In recent years,with the increasing demand for social production,engineering design problems have gradually become more and more *** novel and well-performing meta-heuristic algorithms have been studied and developed to cope with this *** them,the Spherical Evolutionary Algorithm(SE)is one of the classical representative methods that proposed in recent years with admirable optimization ***,it tends to stagnate prematurely to local optima in solving some specific ***,this paper proposes an SE variant integrating the Cross-search Mutation(CSM)and Gaussian Backbone Strategy(GBS),called *** this study,the CSM can enhance its social learning ability,which strengthens the utilization rate of SE on effective information;the GBS cooperates with the original rules of SE to further improve the convergence effect of *** objectively demonstrate the core advantages of CGSE,this paper designs a series of global optimization experiments based on IEEE CEC2017,and CGSE is used to solve six engineering design problems with *** final experimental results fully showcase that,compared with the existing well-known methods,CGSE has a very significant competitive advantage in global tasks and has certain practical value in real ***,the proposed CGSE is a promising and first-rate algorithm with good potential strength in the field of engineering design.

关键词： Meta-heuristic algorithms engineering optimization Spherical evolution algorithm Global optimization

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DISCRETE ENERGY ANALYSIS OF THE THIRD-ORDER VARIABLE-STEP BDF TIME-STEPPING FOR DIFFUSION EQUATIONS

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Journal of Computational Mathematics 2023年第2期41卷 325-344页

作者： Hong-lin Liao Tao Tang Tao Zhou Department of Mathematics Nanjing University of Aeronautics and AstronauticsNanjing 211106China Key Laboratory of Mathematical Modelling and High Performance Computing of Air Vehicles(NUAA) MIITNanjing 211106China Division of Science and Technology BNU-HKBU United International CollegeZhuhai 519087China Institute of Computational Mathematics and Scientific/Engineering Computing Academy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing100190China

This is one of our series works on discrete energy analysis of the variable-step BDF *** this part,we present stability and convergence analysis of the third-order BDF(BDF3)schemes with variable steps for linear diffusion equations,see,e.g.,[SIAM ***.,58:2294-2314]and[***.,90:1207-1226]for our previous works on the BDF2 *** this aim,we first build up a discrete gradient structure of the variable-step BDF3 formula under the condition that the adjacent step ratios are less than 1.4877,by which we can establish a discrete energy dissipation ***-robust stability and convergence analysis in the L^(2) norm are then *** the mesh robustness means that the solution errors are well controlled by the maximum time-step size but independent of the adjacent time-step *** also present numerical tests to support our theoretical results.

关键词： Diffusion equations Variable-step third-order BDF scheme Discrete gradient structure Discrete orthogonal convolution kernels Stability and convergence

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A New Noise-Tolerant Dual-Neural-Network Scheme for Robust Kinematic Control of Robotic Arms With Unknown Models

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IEEE/CAA Journal of Automatica Sinica 2022年第10期9卷 1778-1791页

作者： Ning Tan Peng Yu Zhiyan Zhong Fenglei Ni IEEE the School of Computer Science and Engineering&Key Laboratory of Machine Intelligence and Advanced Computing Ministry of EducationSun Yat-sen UniversityGuangzhou 510006China the School of Automation Guangdong Polytechnic Normal UniversityGuangzhou 510665China the State Key Laboratory of Robotics and Systems Harbin Institute of Technology(HIT)Harbin 150080China

Taking advantage of their inherent dexterity,robotic arms are competent in completing many tasks *** a result of the modeling complexity and kinematic uncertainty of robotic arms,model-free control paradigm has been proposed and investigated ***,robust model-free control of robotic arms in the presence of noise interference remains a problem worth *** this paper,we first propose a new kind of zeroing neural network(ZNN),i.e.,integration-enhanced noise-tolerant ZNN(IENT-ZNN)with integration-enhanced noisetolerant ***,a unified dual IENT-ZNN scheme based on the proposed IENT-ZNN is presented for the kinematic control problem of both rigid-link and continuum robotic arms,which improves the performance of robotic arms with the disturbance of noise,without knowing the structural parameters of the robotic *** finite-time convergence and robustness of the proposed control scheme are proven by theoretical ***,simulation studies and experimental demonstrations verify that the proposed control scheme is feasible in the kinematic control of different robotic arms and can achieve better results in terms of accuracy and robustness.

关键词： Dual zeroing neural networks(ZNN) finite-time convergence model-free robot control robustness analysis

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A Graph Reasoning Model Based on Multiple Types of Nodes 7

A Graph Reasoning Model Based on Multiple Types of Nodes

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7th International Conference on Big Data and Information Analytics, BigDIA 2021

作者： Liu, Yibing Huo, Lijun Zhou, Gang Information Engineering University State Key Laboratory of Mathematical Engineering and Advanced Computing Zhengzhou China National University of Defense Technology Key Laboratory of Information System Engineering Changsha China

ISBN: (纸本)9781665424660

Multi-hop machine reading comprehension (MRC) depends on the model to answer a semantically related question based on the given supporting text. In this study, inspired by previous research about Graph Neural Network(GNN), we develop a new graph covering three kinds of nodes: Sentence, Entity, Candidate. A corresponding MRC method based on graph inference is proposed, called SEC reasoner. The advantage of SECr is that it adopts different granular information as graph nodes, which can execute a more comprehensive reasoning. Our proposed model first initialize the node representations by co-Attention, multi-head attention and self-Attention based on context embedding. SECr then employs GNN based information transfer algorithms to collect evidences from the node encoding, and calculates a score for choosing the answer. In experiments, we evaluate the model on two popular benchmark datasets-WikiHop and MedHop. SECr reachs accuracy rates of 71.6%, 63.1% respectively, which is a competitive result. In addition, a comprehensive analysis proves the effectiveness and interpretability of the SECr. © 2021 IEEE.

关键词： Semantics

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Code Clone Detection Based on Code Semantic Enhancement Model

Code Clone Detection Based on Code Semantic Enhancement Mode...

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Intelligent Communication and Computer engineering (ICICCE), International Conference on

作者： Zhang Chunyan Shen Ziang Liang Chen State Key of Laboratory of Mathematical Engineering and Advanced Computing Zhengzhou China Department of Electrical and Information Engineering Beijing University of Civil Engineering and Architecture Beijing China

Code clones are code fragments that are similar in composition or semantics of code statements, which can significantly improve software development efficiency and reduce costs by improving the quality of reusable code. However, existing code clone detection methods ignore the source code structure information and sequence information seriously. In this paper, we launched our research on the harder-to-break Type IV code clone detection, and propose a new method, namely Aug_Clone, to complete code clone detection task. Firstly, we utilize our published code semantic enhancement model to obtain the code semantic vector. Secondly, we perform code clone detection by calculating the similarity between these semantic vectors. At last, we evaluate our method on a large public data set, and experimental results show improvement over the state-of-the-art benchmarks, which demonstrates the effectiveness and efficiency of our method.

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A critical review of ferritin as a drug nanocarrier:Structure,properties,comparative advantages and challenges

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Particuology 2022年第5期20卷 65-84页

作者： Shuang Yin Kenneth Davey Sheng Dai Yongdong Liu Jingxiu Bi School of Chemical Engineering&Advanced Materials Faculty of EngineeringComputer and Mathematical Sciences.University of AdelaideAdelaideAustralia Department of Chemical Engineering Brunei University LondonUxbridge UB83PHUnited Kingdom State Key Laboratory of Biochemistry Engineering.Institute of Process Engineering Chinese Academy of Sciences.BeijingChina

Ferritin stores and releases iron ions in *** is globally important as a drug *** is because of its unique hollow-spherical structure,desirable stability and biological *** drug-loading approaches plus various functionalization approaches have been developed to improve ferritin in response to differing demands in disease ***,we critically review ferritin drug delivery and evaluate its diverse drug-loading and functionalization approaches,we:(1)Introduce basic structural and property information related to ferritin as a drug nanocarrier;(2)Contrast in detail the different means to load drugs and the selection of drug loading means;(3)Discuss multiple ferritin functionalization approaches,together with related advantages and potential risks;and,(4)Compare ferritin with alternative,commonly-used drug *** conclude that despite that no drugs based on ferritin are commercially available,the market potential for it is significant,and evaluate future research *** from this work will be of immediate benefit and interest to a wide range of researchers and manufacturers for drug delivery using ferritin.

关键词： Ferritin Drug delivery Drug nanocarrier Protein functionalization

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Interpretable Drug Response Prediction through Molecule Structure-aware and Knowledge-Guided Visible Neural Network

Interpretable Drug Response Prediction through Molecule Stru...

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2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024

作者： Xie, Jiancong Zhang, Zhe Li, Youyou Rao, Jiahua Yang, Yuedong Sun Yat-sen University School of Computer Science and Engineering China University of Chicago Department of Chemistry IL United States Sun Yat-sen University Key Laboratory of Machine Intelligence and Advanced Computing of Moe China

ISBN: (纸本)9798350386226

Precise prediction of anti-cancer drug responses has become a crucial obstruction in anti-cancer drug design and clinical applications. In recent years, various deep learning methods have been applied to drug response prediction and become more accurate. However, they are still criticized as being non-transparent. To offer reliable drug response prediction in real-world applications, there is still a pressing demand to develop a model with high predictive performance as well as interpretability. In this study, we propose DrugVNN, an end-to-end interpretable drug response prediction framework, which extracts gene features of cell lines through a knowledge-guided visible neural network (VNN) and learns drug representation through a node-edge communicative message passing network (CMPNN). Additionally, between these two networks, a novel drug-aware gene attention gate is designed to direct the drug representation to VNN to simulate the effects of drugs. By evaluating on the GDSC dataset, DrugVNN achieved state-of-the-art performance. Moreover, DrugVNN can identify active genes and relevant signaling pathways for specific drug-cell line pairs with supporting evidence in the literature, implying the interpretability of our model. © 2024 IEEE.

关键词： Prediction models

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Frontiers in high entropy alloys and high entropy functional materials

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Rare Metals 2024年第10期43卷 4639-4776页

作者： Wen-Tao Zhang Xue-Qian Wang Feng-Qi Zhang Xiao-Ya Cui Bing-Bing Fan Jia-Ming Guo Zhi-Min Guo Rui Huang Wen Huang Xu-Bo Li Meng-Ru Li Yan Ma Zhi-Hua Shen Yong-Gang Sun De-Zhuang Wang Fei-Yang Wang Li-Qiang Wang Nan Wang Tian-Li Wang Wei Wang Xiao-Yang Wang Yi-Han Wang Fu-Jie Yu Yu-Zhen Yin Ling-Kun Zhang Yi Zhang Jian-Yang Zhang Qi Zhao Yu-Ping Zhao Xin-Dong Zhu Yasir Sohail Ya-Nan Chen Tao Feng Qi-Long Gao Hai-Yan He Yong-Jiang Huang Zeng-Bao Jiao Hua Ji Yao Jiang Qiang Li Xiao-Ming Li Wei-Bing Liao Huai-Jun Lin Hui Liu Qi Liu Qing-Feng Liu Wei-Di Liu Xiong-Jun Liu Yang Lu Yi-Ping Lu Wen Ma Xue-Fei Miao Jie Pan Qing Wang Hong-Hui Wu Yuan Wu Tao Yang Wei-Ming Yang Qian Yu Jin-Yu Zhang Zhi-Gang Chen Liang Mao Yang Ren Bao-Long Shen Xun-Li Wang Zhe Jia He Zhu Zhen-Duo Wu Si Lan School of Materials Science and Engineering Nanjing University of Science and TechnologyNanjing 210094China Jiangsu Key Laboratory for Advanced Metallic Materials School of Materials Science and EngineeringSoutheast UniversityNanjing 211189China Department of Physics City University of Hong KongHongKong 999077China School of Materials Science and Engineering Tianjin UniversityTianjin 300072China School of Physics and Microelectronics Zhengzhou UniversityZhengzhou 450001China Department of Mechanical Engineering Research Institute for Advanced ManufacturingThe Hong Kong Polytechnic UniversityHong Kong 100872China Center of Electron Microscopy and State Key Laboratory of Silicon Materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China Key Laboratory of Solidification Control and Digital Preparation Technology(Liaoning Province) School of Materials Science and EngineeringDalian University of TechnologyDalian 116024China Institute of Advanced Wear&Corrosion Resistance and Functional Materials Jinan UniversityGuangzhou 510632China School of Mechanics and Civil Engineering China University of Mining and TechnologyXuzhou 221116China School of Physical Sciences Great Bay UniversityDongguan 523000China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001China State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China Beijing Advanced Innovation Center for Materials Genome Engineering Research Institute for Carbon NeutralityUniversity of Science and Technology BeijingBeijing 100083China Department of Mechanical Engineering The University of Hong KongHong Kong 999077China School of Computing Macquarie UniversitySydney 2113Australia Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province College of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhen 518060China State Key Laborato

Owing to their exceptional properties,high-entropy alloys(HEAs)and high-entropy materials have emerged as promising research areas and shown diverse ***,the recent advances in the field are comprehensively reviewed,organized into five *** first section introduces the background of HEAs,covering their definition,significance,application prospects,basic properties,design principles,and *** subsequent section focuses on cutting-edge high-entropy structural materials,highlighting developments such as nanostructured alloys,grain boundary engineering,eutectic systems,cryogenic alloys,thin films,micro-nano-lattice structures,additive manufacturing,high entropy metallic glasses,nano-precipitate strengthened alloys,composition modulation,alloy fibers,and refractory *** the following section,the emphasis shifts to functional materials,exploring HEAs as catalysts,magneto-caloric materials,corrosion-resistant alloys,radiation-resistant alloys,hydrogen storage systems,and materials for ***,the review encompasses functional high-entropy materials outside the realm of alloys,including thermoelectric,quantum dots,nanooxide catalysts,energy storage materials,negative thermal expansion ceramics,and high-entropy wave absorption *** paper concludes with an outlook,discussing future directions and potential growth areas in the *** this comprehensive review,researchers,engineers,and scientists may gain valuable insights into the recent progress and opportunities for further exploration in the exciting domains of high-entropy alloys and functional materials.

关键词： High entropy alloys Cutting-edge structural materials Cutting-edgefunctional materials

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Naming Functions in Stripped Binaries Via Contextual Semantics

SSRN

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SSRN 2024年

作者： Xia, Bing Ge, Yunxiang Yin, Jiabin Yang, Ruinan Pang, Jianmin Tang, Chongjun ZhongYuan University of Technology Henan Zhengzhou450007 China Henan Key Laboratory of Cyberspace Situation Awareness Henan Zhengzhou450007 China Key Laboratory of Mathematical Engineering and Advanced Computing Henan Zhengzhou450007 China

Context:Predicting function names in stripped binaries is a critical challenge in reverse engineering due to their lack of explicit semantic information. Existing machine learning approaches often suffer from poor generalization, especially in dealing with long-tail distributions of function names. Objective:This study introduces BContext2Name, a novel machine-learning model designed to improve the prediction of function names in stripped binaries. The primary goals are to enhance accuracy, address the long-tail effect, and improve generalization capabilities for unknown binaries. Method:BContext2Name incorporates multi-label learning, allowing it to generate multiple related labels from function context information, thus providing richer insights into binary function names. The model also utilizes enhanced control flow graphs to simulate function execution behavior, aiding in the understanding of function semantics. We evaluated the model using 72,074 binary functions from the GNU repository, covering a wide range of applications. Result:Our evaluation shows that BContext2Name surpasses current state-of-the-art methods in predictive accuracy. Specifically, it achieves an F1 score that is 3.55% higher than the XFL method and 15.23% higher than the Nero method. The model also demonstrates better generalization capabilities. Ablation studies confirm the significant impact of multi-label learning on the model's performance enhancement. Conclusion:BContext2Name sets a new benchmark in function name prediction for stripped binaries. By integrating multi-label learning with enhanced control flow graph analysis, the model not only improves prediction accuracy but also addresses key challenges in binary analysis, such as the long-tail effect and generalization issues. This approach represents a significant advancement in machine learning applications for reverse engineering, offering deeper insights into binary code functionalities. © 2024, The Authors. All rights reserved.

关键词： Forecasting

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