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基于第一性原理与机器学习的碳含量对钢铁材料抗氢性能影响

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金属功能材料 2024年第1期31卷 44-50页

作者：米志杉范秀如杨丽孙旭李双权张国信中国钢研科技集团有限公司数字化研发中心北京100081 大连工业大学机械工程与自动化学院辽宁大连116038 南京钢铁股份有限公司南钢研究院江苏南京210035 中石化广州工程有限公司广东广州510600

铁素体钢中的氢脆问题一直是研究者们关注热点,尤其是不同碳含量对钢铁材料抗氢性能的影响还不清晰。采用第一性原理计算与机器学习算法相结合的方法,构建了铁-碳-氢体系高精度的机器学习力场(MLFF),通过分子动力学模拟来研究不同碳含... 详细信息

铁素体钢中的氢脆问题一直是研究者们关注热点,尤其是不同碳含量对钢铁材料抗氢性能的影响还不清晰。采用第一性原理计算与机器学习算法相结合的方法,构建了铁-碳-氢体系高精度的机器学习力场(MLFF),通过分子动力学模拟来研究不同碳含量钢中氢原子的扩散行为。高精度的机器学习力场利用神经网络(NN)模型学习多种构型的第一性原理分子动力学(AIMD)结果获得,为了保证机器学习力场能够很好地描述铁-碳-氢体系的统计特性和动力学特性,进行了多种测试。利用该机器学习力场,对不同碳含量的铁素体钢进行了分子动力学模拟,计算了其氢扩散系数。结果发现,随着碳含量的增加,氢的扩散系数总体呈下降趋势,与实验结果吻合较好。建立的算法模型可分析碳含量对钢铁材料抗氢性能的影响,对钢铁材料氢致损伤研究及成分设计具有重要意义。

关键词：第一性原理机器学习分子动力学力场氢扩散氢致损伤

Wideband chaos generation using a VCSEL with intensity modulation optical injection for random number generation

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Science China(Information Sciences) 2024年第6期67卷 457-458页

作者： Yu HUANG shuangquan GU Yuhang FENG Yigong YANG Shuiying XIANG Pei ZHOU Nianqiang li School of Optoelectronic Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology Soochow University State Key Laboratory of Integrated Service Networks Xidian University Key Lab of Advanced Optical Manufacturing Technologies of Jiangsu Province & Key Lab of Modern Optical Technologies of Education Ministry of China Soochow University

Physical random numbers have been widely used in modern network society,such as the generation of cryptographic keys for classical and quantum cryptography systems[1].Among the many sources of physical entropy,chaotic semiconductor lasers have attracted wide attention due to their desired characteristics including larger bandwidth,low cost,and monolithic integration[2].

关键词： Optical signal processing

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李双全教授基于“清泄法”论治酒精性肝病经验撷菁

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山西中医药大学学报 2023年第11期24卷 1231-1235页

作者：许多李双全李嘉茜丁浩洋山西中医药大学第一临床学院山西晋中030619 山西中医药大学附属医院山西太原030024 山西中医药大学第三临床学院山西晋中030619

酒精性肝病(ALD)是临床中的常见病,与生活方式关系密切。西医治疗手段单一,效果局限,李双全教授在酒精性肝病的辨治方面积累了丰富的经验。李双全教授认为,酒精性肝病的病位在肝,与脾、胃、肾等功能失司有密切关系,其病机多虚实相参,实... 详细信息

酒精性肝病(ALD)是临床中的常见病,与生活方式关系密切。西医治疗手段单一,效果局限,李双全教授在酒精性肝病的辨治方面积累了丰富的经验。李双全教授认为,酒精性肝病的病位在肝,与脾、胃、肾等功能失司有密切关系,其病机多虚实相参,实者因饮酒酿生湿热痰浊,脾胃运化不利,或外邪与内饮交结,聚于胁下,气滞、痰浊水饮停滞而生酒癖。虚者因湿热耗损阴液,更助虚火,病久肝脾肾三脏俱损,瘀毒内结。基于此,李双全教授提出以“清泄法”治疗本病,包括清湿热、泄湿浊、退虚热,同时兼顾脾胃,扶养正气,分期综合调治酒精性肝病,临床疗效确切。

关键词：酒精性肝病清泄法名医经验李双全

IMM/MHT FUSING FEATURE INFORMATION IN VISUAL TRACKING

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Journal of Electronics(China) 2009年第6期26卷 765-770页

作者： li shuangquan Sun Shuyan Jiang Sheng Huang Zhipei Wu Jiankang School of Information Science and Engineering Graduate University of Chinese Academy of Sciences Beijing 100190 China

In multi-target tracking,Multiple Hypothesis Tracking (MHT) can effectively solve the data association problem. However,traditional MHT can not make full use of motion information. In this work,we combine MHT with Interactive Multiple Model (IMM) estimator and feature fusion. New algorithm greatly improves the tracking performance due to the fact that IMM estimator provides better estimation and feature information enhances the accuracy of data association. The new algorithm is tested by tracking tropical fish in fish container. Experimental result shows that this algorithm can significantly reduce tracking lost rate and restrain the noises with higher computational effectiveness when compares with traditional MHT.

关键词：多目标跟踪特征信息 MHT IMM 粘合交互式多模型数据关联多假设跟踪

Parametric Data-driven Control Method of Hybrid System via Virtual Reference Feedback Tuning

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Parametric Data-driven Control Method of Hybrid System via V...

Leaching kinetics of fluorine during the aluminum removal from spent li-ion battery cathode materials

第36届中国控制会议

作者： liu Jiaqi li shuangquan Lyu Ning Gao Xiaozhi School of Automation Harbin University of Science and Technology Department of Electrical Engineering and Automation Aalto University

ISBN: (纸本)9781538629185

This paper presents a data-driven method to design parameterized controller for a class of hybrid *** method relies on the virtual reference feedback tuning（VRFT） that is ongoing does not derive any detailed model knowledge of hybrid *** other model-based control methods,the VRFT method direct use of the measurement I/O data and select desired controllers by employing optimization tools from virtual reference ***,the optimal variables are directly as the control parameters of the hybrid *** improve the efficiency of control parameter optimization,a particle swarm optimization（PSO） algorithm with a ε-dominance strategy is used to implement the developed *** addition,the effectiveness of the method is demonstrated experimentally on a leader-following tracking task of multiple unmanned aerial vehicles（multi-UAVs） formation flight.

关键词： hybrid system data-driven control global model reference optimization parameterized controller design

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Journal of Environmental Sciences 2024年第4期138卷 312-325页

作者： Shengjie li Jianxin Zhu Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China University of Chinese Academy of Sciences Beijing 100049China

The high content of aluminum(Al)impurity in the recycled cathode powder seriously affects the extraction efficiency of Nickel,Cobalt,Manganese,and lithium resources and the actual commercial value of recycled materials,so Al removal is crucially important to conform to the industrial standard of spent li-ion battery cathode *** this work,we systematically investigated the leaching process and optimum conditions associated with Al removal from the cathode powder materials collected in a wet cathode-powder peeling and recycling production line of spent li-ion batteries(liBs).Moreover,we specifically studied the leaching of fluorine(F)synergistically happened along with the removal process of Al,which was not concerned about in other studies,but one of the key factors affecting pollution prevention in the recovery *** mechanism of the whole process including the leaching of Al and F from the cathode powder was indicated by using NMR,FTIR,and XPS,and a defluoridation process was preliminarily investigated in this *** leaching kinetics of Al could be successfully described by the shrinking core model,controlled by the diffusion process and the activation energy was 11.14 kJ/***,the leaching of F was attributed to the dissolution of liPF6and decomposition of PVDF,and the kinetics associated was described by Avrami *** interaction of Al and F is advantageous to realize the defluoridation to some *** is expected that our investigation will provide theoretical support for the large-scale recycling of spent liBs.

关键词： Al removal F leaching Cathode powder Heating alkali leaching Leaching kinetics

Additives strategies to improving cycling stability of li metal batteries by modifying electrode electrolyte interphases

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Progress in Natural Science:Materials International 2024年第2期34卷 338-344页

作者： Yuan li Pengfei Huang Chunyu Cui Xiaoyuan Ma li Chen Zekun li linhai li Yuhong Tian School of Biological and Chemical Engineering Guangxi University of Science and Technology School of College of Chemistry and Chemical Engineering Hunan University Isky Future Energy Institute

li metal batteries（LMBs） have attracted much attention due to the ultra-high theoretical capacity of the li metal anode（LMA）.However,the uncontrollable dendrites growth and low coulombic efficiency hinder their practical ***,we explore 3,5-difluoropyridine（2F-BD） as a novel electrolyte additive to enable highperformance *** 2F-BD additive participates in and modifies the solvation structure of li ions by reducing the coordinated number of PF6-at the electrode surface,leading to the formation of a liF and li3N-rich solid electrolyte interphase（SEI）.The liF component increases the robustness of SEI and suppresses the formation of li dendrites,while the li3N component facilitates the transportation and reaction kinetics of li *** a result,the li‖li symmetric cell presents a stable cycling performance of up to 500 h at a current density of 1 mA *** coupling with liFePO4cathode,the obtained full cell achieves high specific capacities of 106.06 mA h g-1and 84.98 mA h g-1at 2.55 mA cm-2and 5.10 mA cm-2,respectively,and maintains a high capacity retention of84.0% after 1000 cycles at 0.13 mA cm-2,with an average cycling CE of 99.58%.

关键词： Electrolyte additive li dendrites li metal batteries liF and li3N-Rich electrode-electrolyte interphase liFePO4 cathode

SEI/dead li-turning capacity loss for high-performance anode-free solid-state lithium batteries

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Journal of Energy Chemistry 2024年第9期96卷 145-152页

作者： Qianwen Yin Tianyu li Hongzhang Zhang Guiming Zhong Xiaofei Yang Xianfeng li Division of Energy Storage Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina University of Chinese Academy of Sciences Beijing 100049China Key Laboratory of Long-Duration and Large-Scale Energy Storage Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina Laboratory of Advanced Spectro-Electrochemistry and lithium-Ion Batteries Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

Anode-free solid-state lithium metal batteries(AF-SSLBs)have the potential to deliver higher energy density and improved safety beyond lithium-metal ***,the unclear mechanism for the fast capacity decay in AF-SSLBs,either determined by dead li or solid electrolyte interface(SEI),limits the proposal of effective strategies to prolong cycling *** clarify the underlying mechanism,herein,the evolution of SEI and dead li is quantitatively analyzed by a solid-state nuclear magnetic resonance(ss-NMR)technology in a typical liPF6-based polymer *** results show that the initial capacity loss is attributed to the formation of SEI,while the dead li dominates the following capacity loss and the growth rate is 0.141 mA h cm^(−2)cycle−*** reduce the active li loss,the combination of inorganic-rich SEI and self-healing electrostatic shield effect is proposed to improve the reversibility of li deposition/dissolution behavior,which reduces the capacity loss rate for the initial SEI and following dead li generation by 2.3 and 20.1 folds,*** a result,the initial Coulombic efficiency(ICE)and stable CE increase by 15.1%and 15.3%in li-Cu cells,which guides the rational design of high-performance AF-SSLBs.

关键词： Solid-state lithium batteries Solid-state NMR Anode-free SEI Dead li

Synergy effect of regulated li-plating and functional solid electrolyte interphase on graphite anodes

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Nano Research 2024年第9期17卷 8077-8085页

作者： Panpan Wang Baojia Xia Jianling li State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China Shanghai Institute of Microsystem and Information Technology Chinese Academy of SciencesShanghai 201800China

The growth of li dendrites poses potential safety hazard to lithium-ion batteries(liBs),and eliminating li dendrites thoroughly stills face tough difficulties ***,regulating li-plating is a critical optimization-direction to address the ***,a“graphite-li hybrid”anode with high reversibility is realized under the constant-capacity lithiation(CCL).Within CCL,the uniform distribution of li-plating on the graphite surface is successfully *** evolution in different states of solid electrolyte interphase(SEI)is investigated in detail to study the interaction between the potentials and impedance during the process of liintercalation and *** the potential below 0 V and the state of charge(SOC)of 110%relative to the theoretical capacity,the F-rich SEI with high stability is constructed to hinder the emergency of li dendrites and maintain the intact structure of graphite anode under long *** cell presents more than 100%Coulombic efficiency(CE)with the 900 cycles,demonstrating the reversible li-plating and the utilization of *** the CCL half-cell provides a good cycling performance and specific capacity of 900 cycles at 0.5 C,it is attributed to the synergy effect of stable inorganic-rich SEI and regulated active li-plating.

关键词： "graphite-li hybrid"anode li-plating reversibility solid electrolyte interphase(SEI)