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Ab Initio Design of Ni-Rich Cathode Material with Assistance of Machine Learning for High Energy Lithium-Ion Batteries

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ENERGY & ENVIRONMENTAL MATERIALS 2024年第6期7卷 74-83页

作者： Zhang, Xinyu Mu, Daobin Lu, Shijie Zhang, Yuanxing Zhang, Yuxiang yang, zhuolin Zhao, Zhikun Wu, Borong Wu, Feng Beijing Inst Technol Sch Mat Sci & Engn Beijing 100081 Peoples R China

With the widespread use of lithium-ion batteries in electric vehicles, energy storage, and mobile terminals, there is an urgent need to develop cathode materials with specific properties. However, existing material control synthesis routes based on repetitive experiments are often costly and inefficient, which is unsuitable for the broader application of novel materials. The development of machine learning and its combination with materials design offers a potential pathway for optimizing materials. Here, we present a design synthesis paradigm for developing high energy Ni-rich cathodes with thermal/kinetic simulation and propose a coupled image-morphology machine learning model. The paradigm can accurately predict the reaction conditions required for synthesizing cathode precursors with specific morphologies, helping to shorten the experimental duration and costs. After the model-guided design synthesis, cathode materials with different morphological characteristics can be obtained, and the best shows a high discharge capacity of 206 mAh g-1 at 0.1C and 83% capacity retention after 200 cycles. This work provides guidance for designing cathode materials for lithium-ion batteries, which may point the way to a fast and cost-effective direction for controlling the morphology of all types of particles. Existing material-controlled synthesis routes based on repetitive experiments are often costly and inefficient. Therefore, an ab initio design paradigm incorporating machine learning be proposed to achieve rational construction and controlled development of NCM cathode materials, which may indicate a fast and economical direction for controlling the morphology of all types of particles. image

关键词： design digital image lithium-ion batteries machine learning NCM cathode GROWTH MECHANISMS PRECURSORS HYDROXIDE NICKEL MANGANESE

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2010—2019年间洞庭湖流域生态环境状况时空动态特征及影响因素

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自然资源遥感 2024年第1期36卷 179-188页

作者：李世杰冯徽徽王珍杨卓琳王姝中南大学地球科学与信息物理学院长沙410083

洞庭湖流域是长江中下游重要生态区,开展其生态环境状况定量监测与评价是进行区域生态保护、修复及治理的先决条件。该文采用2010—2019年MODIS遥感数据产品,基于绿度、湿度、干度和热度4个生态指标构建了洞庭湖流域遥感生态环境指数(re... 详细信息

洞庭湖流域是长江中下游重要生态区,开展其生态环境状况定量监测与评价是进行区域生态保护、修复及治理的先决条件。该文采用2010—2019年MODIS遥感数据产品,基于绿度、湿度、干度和热度4个生态指标构建了洞庭湖流域遥感生态环境指数(remote sensing ecological index,RSEI),并在此基础上研究了流域生态环境状况时空动态特征及其影响因素。结果表明:①2010—2019年洞庭湖流域绿度指标呈增长趋势,湿度指标呈下降趋势,而干度和热度指标变化较为平稳;②洞庭湖流域整体生态环境状况较好,RSEI多年均值为0.58,并呈波动增长,空间上则表现为西部优于东部、四周优于中部的分布格局;③降水、气温、高程以及土地覆盖与RSEI均具有较强相关性。其中,林地RSEI(0.65)最高,建筑用地RSEI(0.31)最低;在流域2种主要土地转化类型中(草地→林地、耕地→草地),“草地→林地”转化有助于促进区域生态环境(ΔRSEI=0.0025,贡献率为46.3%),而后者则有可能导致生态环境恶化(ΔRSEI=-0.0004,贡献率为44.44%)。研究结果有助于深刻把握流域生态环境时空特征及其内在驱动机制,辅助开展科学的土地规划与生态环境治理,因而具有较强的理论与实践意义。

关键词：遥感生态环境指数 MODIS数据土地利用/覆盖变化洞庭湖流域

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基因预测的爬楼梯频率对肺癌风险的影响:孟德尔随机化研究

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山西医科大学学报 2024年第4期55卷 431-438页

作者：杨卓林曹立全权磊天津体育学院运动生理学与运动医学重点实验室天津301600 天津体育学院体卫融合与健康促进实验室

目的采用孟德尔随机化(Mendelian randomization,MR)探索爬楼梯频率(frequency of stair climbing,FSC)与肺癌(lung cancer,LC)风险之间的因果关系。方法首先,在IEU OpenGWAS数据库中获取FSC、LC风险因素和LC风险的相关全基因组关联研究(genome-wide association study,GWAS)数据;其次,通过MR确定FSC、LC风险因素和LC风险之间的因果联系,并分析体质量指数(body mass index,BMI)、慢性阻塞性肺疾病(chronic obstructive pulmonary disease,COPD)和吸烟行为在FSC与LC风险之间的作用比例;然后,利用连锁不平衡分数回归进一步验证这一关系;最后,通过贝叶斯共定位方法探索可能影响FSC降低LC风险的分子机制。结果MR分析的逆方差加权法(inverse-variance weighting,IVW)结果表明,基于GWAS预测的FSC与LC风险呈现出显著的负因果关系(IVW:OR 0.611,95%CI 0.503~0.743,P=0.011)。在不同类型的肺癌中,FSC与鳞状细胞肺癌(lung squamous cell carcinoma,LUSC)风险(IVW:OR 0.506,95%CI 0.370~0.693,P=0.030)、小细胞肺癌(small cell lung cancer,SCLC)风险(IVW:OR 0.380,95%CI 0.248~0.583,P=0.023)、以及吸烟者肺癌风险(IVW:OR 0.599,95%CI 0.485~0.739,P=0.015)均呈现出显著的负因果关系。此外,BMI(IVW:OR 1.218,95%CI 1.144~1.298,P=0.001)、COPD(IVW:OR 2.003,95%CI 1.652~2.430,P<0.001)和曾经吸烟(IVW:OR 2.139,95%CI 1.731~2.644,P<0.001)与LC风险均呈现出显著的正因果关系,从不吸烟与LC风险呈现出显著的负因果关系(IVW:OR 0.382,95%CI 0.317~0.462,P<0.001)。FSC还与BMI(IVW:OR 0.740,95%CI 0.683~0.802,P<0.001)、COPD(IVW:OR 0.541,95%CI 0.446~0.655,P=0.001)、曾经吸烟(IVW:OR 0.951,95%CI 0.932~0.970,P=0.021)呈现出显著的负因果关系,且与从不吸烟呈现出显著的正因果关系(IVW:OR 1.094,95%CI 1.072~1.116,P<0.001)。多变量MR(multivariable MR,MVMR)结果表明,在FSC与LC风险的因果效应之间,BMI、COPD、曾经吸烟和从不吸烟的介导比例分别为2.2%,78.7%,5.7%和15.2%。连锁不平衡分数回归方法证明了FSC与LC、LUSC、SCLC和吸烟者肺癌之间存在遗传相关性。贝叶斯共定位分析显示,FSC对LC风险的影响可能通过KPC1、UBA7、CTD-2330K9.3、GNAT1、MARK3、RPL10AP1和ERCC8等基因产生。结论孟德尔随机化研究表明FSC增加可能会降低LC风险,这一关系部分由BMI、COPD和吸烟介导。

关键词：身体活动爬楼梯肺癌孟德尔随机化因果效应

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Stable cycling of LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2)/lithium metal batteries enabled by synergistic tuning the surface stability of cathode/anode

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Journal of Energy Chemistry 2023年第12期87卷 342-350,I0009页

作者： Chunli Li Xinyu Zhang zhuolin yang Haijian Lv Tinglu Song Shijie Lu Yuxiang Zhang Tianwen yang Fan Xu Feng Wu Daobin Mu School of Materials Science&Engineering Beijing Key Laboratory of Environmental Science and EngineeringBeijing Institute of TechnologyBeijing 100081China College of Chemistry Beijing University of Chemical TechnologyBeijing 100029China Shenzhen BTR New Energy Technology Institute Co. LtdShenzhen 518118GuangdongChina

Ni-rich layered oxides(LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2))show great potential in long-range and low-cost lithiumion ***,due to the high surface sensitivity,their practical application is hindered by interfacial instability with electrolytes under high voltage for long cyclic ***,by combining both firstprinciple calculations and time-of-flight secondary ion mass spectrometry(TOF-SIMS),a novel surface fluorinated reconstruction(SFR)mechanism is proposed to improve the interfacial stability under high voltage,which could effectively regulate the surface fluoride species to desensitize the LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2)*** demonstrate here that by tuning the ratio of fluoride species,the LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2)/Li battery could achieve excellent long-term and high voltage performance(163.5 mA h g^(-1)at 0.5 C for 300 cycles under 4.4 V),while the controlled sample decayed to 125.4 mA h g^(-1)after 300 ***,the favorable cross-talk effect induced by SFR further facilitates the incorporation of suitable amounts of Ni ions into the construction of stable solid electrolyte interface(SEI)layer for anode ***,the ultra-long cycling stability under high voltage can be achieved by the robust cathode/electrolyte and Li/electrolyte interfaces,which results in excellent interfacial stability after long *** work provides new insights into the surface design of cathode materials and improves the stability of the electrode-electrode interface under high voltage.

关键词： Ni-rich layered oxides Surface fluorinated reconstruction Interfacial stability TOF-SIMS Cross-talk effect

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基于双生成器生成对抗网络的壁画图像虚拟修复方法

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国外电子测量技术 2024年第7期43卷 191-200页

作者：杨卓林曹建芳张英俊彭存赫太原科技大学计算机科学与技术学院太原030024 忻州师范学院计算机系忻州034000

针对现有的基于生成对抗网络的壁画修复方法,其生成样本缺乏多样性,容易造成大规模特征丢失等问题。提出一种基于双生成器生成对抗网络(BGGAN)的壁画图像虚拟修复方法。首先,从两个随机方向进行样本生成,保证了生成样本的多样性。其次,... 详细信息

针对现有的基于生成对抗网络的壁画修复方法,其生成样本缺乏多样性,容易造成大规模特征丢失等问题。提出一种基于双生成器生成对抗网络(BGGAN)的壁画图像虚拟修复方法。首先,从两个随机方向进行样本生成,保证了生成样本的多样性。其次,对Dilate U-Net Kares生成器模型,改进下采样阶段的膨胀卷积扩张率,取消池化操作。最后,设计损失函数,将均方误差(MSE)损失与对抗损失相结合,通过λG约束生成样本的特征梯度。在所收集壁画数据集上进行修复测试,测试结果与多种图像修复方法对比。结果表明,所提算法获得的图像修复结果细节更清晰。修复后图像的峰值信噪比(PSNR)相较对比模型平均提高了约1.12 dB,结构相似度(SSIM)平均提高了约0.047。

关键词：图像处理壁画虚拟修复生成对抗网络 U-Net

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Journal of Geographical Sciences 2022年第4期32卷 589-604页

作者： FENG Huihui DING Ying ZOU Bin COHEN Jason Blake YE Shuchao yang zhuolin QIN Kai LIU Lei GU Xiaodong School of Geosciences and Info-Physics Central South UniversityChangsha 410083China Key Laboratory of Metallogenic Prediction of Nonferrous Metals and Geological Environment Monitoring of Chinese Ministry of Education Changsha 410083China School of Atmospheric Sciences Sun Yat-sen UniversityGuangzhou 510275China School of Environment Science and Spatial Informatics China University of Mining and TechnologyXuzhou 221116JiangsuChina College of Earth and Environmental Sciences Lanzhou UniversityLanzhou 730000China Guangzhou Center for Rule of Green Development Law Studies Guangdong University of Foreign StudiesGuangzhou 510420China Southern Marine Science and Engineering Guangdong Laboratory(Guangzhou) Guangzhou 511458China

Vegetation plays an important role in the dry deposition of particles with significant spatial variability,but the magnitude remains unclear at the global *** the aid of satellite products,this study estimated the vegetation-related dry deposition of fine particulate matter(PM_(2.5)).Methodologically,dry deposition was first calculated using an empirical ***,deposition on the leaf surface was estimated to evaluate the influence of *** results showed that the mean deposition velocity(V_(d))of global PM_(2.5)was 0.91×10^(-3)μg·m^(-2)·s^(-1),with high velocities observed in sparsely vegetated regions because of the high friction *** the combined effect of the PM_(2.5)mass concentration and deposition velocity,the global mean dry deposition reached 0.47 g·m-^(2)·yr^(-1).Global vegetation absorbed 0.26 g·m-^(2)·yr^(-1)from PM_(2.5)pollution sources,contributing 54.98%of the total dry ***,vegetation-related dry deposition was high in the Amazon,Central Africa and East China due to dense vegetation coverage or serious ***,the increasing trends were mainly in Central Africa and India because of worsening air *** results of this study helped to clarify the impact of vegetation on air pollution,which supported related land management and planning for air quality improvement.

关键词： air pollution PM_(2.5) dry deposition vegetation change globe satellite

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Bald Eagle Search Optimization Algorithm Combined with Spherical Random Shrinkage Mechanism and Its Application

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Journal of Bionic Engineering 2024年第1期21卷 572-605页

作者： Wenyan Guo zhuolin Hou Fang Dai Xiaoxia Wang Yufan Qiang Department of Applied Mathematics School of ScienceXi'an University of TechnologyXian 710054ShaanxiChina

Over the last two decades,stochastic optimization algorithms have proved to be a very promising approach to solving a variety of complex optimization *** eagle search optimization(BES)as a new stochastic optimization algorithm with fast convergence speed has the ability of prominent optimization and the defect of collapsing in the local *** avoid BES collapse at local optima,inspired by the fact that the volume of the sphere is the largest when the surface area is certain,an improved bald eagle search optimization algorithm(INMBES)integrating the random shrinkage mechanism of the sphere is ***,the INMBES embeds spherical coordinates to design a more accurate parameter update method to modify the coverage and dispersion of the ***,the population splits into elite and non-elite groups and the Bernoulli chaos is applied to elite group to tap around potential solutions of the *** non-elite group is redistributed again and the Nelder-Mead simplex strategy is applied to each group to accelerate the evolution of the worst individual and the convergence process of the *** results of Friedman and Wilcoxon rank sum tests of CEC2017 in 10,30,50,and 100 dimensions numerical optimization confirm that the INMBES has superior performance in convergence accuracy and avoiding falling into local optimization compared with other potential improved algorithms but inferior to the champion algorithm and ranking *** three engineering constraint optimization problems and 26 real world problems and the problem of extracting the best feature subset by encapsulated feature selection method verify that the INMBES’s performance ranks first and has achieved satisfactory accuracy in solving practical problems.

关键词： Bald eagle search optimization algorithm Spherical coordinates Chaotic variation Simplex method Encapsulated feature selection

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An all-dielectric chiral metasurface with circular dichroism and asymmetric transmission characteristics

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Optoelectronics Letters 2024年第9期20卷 537-542页

作者： WU Qihang SHI zhuolin HE Jinglin DONG Jianfeng Department of Electronic Information Science and Technology Ningbo UniversityNingbo 31521lChina

This paper designs an all-dielectric metasurface with tunable chiral properties in the near-infrared range,whose working wavelength is 1250-2200 *** metasurface exhibits circular dichroism(CD)and asymmetric transmission(AT)characteristics for circularly polarized *** metasurface is a double-layer structure composed of Ge_(2)Sb_(2)Se_(4)Te_(1)(GSST).

关键词： circular dielectric chiral

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Constrained docking control for shipborne UAV SideArm recovery

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Chinese Journal of Aeronautics 2024年第5期37卷 39-59页

作者： Zikang SU zhuolin XING Xuebing LI Chuntao LI Xinwei WANG Honglun WANG College of Automation Engineering Nanjing University of Aeronautics and AstronauticsNanjing 211106China School of Engineering and Materials Science Queen Mary University of LondonLondon E14NSUK School of Automation Science and Electrical Engineering Beihang UniversityBeijing 100191China

In this work,we sought to investigate constrained docking control during shipborne SideArm recovery of an Unmanned Aerial Vehicle(UAV)under preassigned safe docking constraints,rough ocean environments,and different initial *** aim was to solve the UAV tracking-lag problem that manifests when attempting to dock with a rapidly moving SideArm and to improve the accuracy and rapidity of ***,together with the formulations of the shipborne SideArm system and environmental airflows,the affine nonlinear dynamics of the hook was established to reduce tracking ***,echo state network approximators with good approximation capacity and low computational consumption were designed to accurately approximate the UAV’s unknown nonlinear *** feedforward compensation provided by these approximators,a nonlinear-mapping-based constrained docking control law was developed for shipborne SideArm recovery of *** approach to controlling the docking trajectory and the forward docking speed of the UAV can achieve rapid and exact docking with a moving SideArm,without violating the preassigned safe docking-constraint *** under different docking scenarios were used to validate the effectiveness and advantages of the proposed docking-control algorithm.

关键词： SideArm recovery Unmanned aerial vehicle Docking control Nonlinear mapping Echo state network

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Geochronology,petrogenesis,and geological significance of the quartz vein-type copper deposits in Longwei area,north-west Dayaoshan,Guangxi

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Frontiers of Earth Science 2024年第1期18卷 68-82页

作者： Song FU Shehong LI Changxing LV Longqing SHI Xuhan HU Jinming WU zhuolin XIE College of Earth Sciences&Engineering Shandong University of Science and TechnologyQingdao 266590China School of Earth Sciences Guilin University of TechnologyGuilin 541006China Xinwen Mining Group Co. Ltd.Huafeng Coal MineTai’an 271409China

Quartz-vein-type copper deposits were discovered in SN-trend ore-bearing structures in north-west Dayaoshan,*** of reports on the precise metallogenic age of these deposit has become a bottleneck in metallogenic research in this *** this study,the quartz vein-type copper mine in Longwei area of Jinxiu was selected as the research *** illite samples in the fault gouges and ore samples were collected for testing and *** on the Re-Os isotope dating study,the age of pyrite isochron,belonging to the Caledonian period,was determined to be 417±25 Ma,whereas that of chalcopyrite isochron belonging to the Indosinian period,was found to be 243±18 *** crystallized considerably earlier than *** obtained EPMA data were combined with rock mineralogical analysis data,Metasomatous mineral pyrite and metasomatic mineral chalcopyrite were identified to have originated from different hydrothermal *** the Indosinian period,copper deposits in the Longwei area underwent pyrite crystallization,pyrite fragmentation,copper-bearing hydrothermal filling,and metasomatism,consolidating and forming *** study determined the mineralisation time and ore sources of copper deposits in the Longwei *** study provides evidence for the existence of Indosinian hydrothermal activities in the north-western Dayaoshan area.

关键词： Re-Os dating electron probe micro-analyser quartz-vein copper deposit Dayaoshan area

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