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AtomGAN:unsupervised deep learning for fast and accurate defect detection of 2D materials at the atomic scale

Science China(Information Sciences) 2023年第6期66卷 102-114页

作者： danpeng cheng Wuxin SHA Zuo XU Shide LI Zhigao YIN Yuling LANG Shun TANG Yuan-cheng CAO State Key Laboratory of Advanced Electromagnetic Engineering and Technology School of Electrical and Electronic EngineeringHuazhong University of Science and Technology School of Computer Science and Technology Huazhong University of Science and Technology CITIC Dicastal Co. Ltd.

The extraction of atomic-level material features from electron microscope images is crucial for studying structure-property relationships and discovering new materials. However, traditional electron microscope analyses rely on time-consuming and complex human operations; thus, they are only applicable to images with a small number of atoms. In addition, the analysis results vary due to observers’ individual deviations. Although efforts to introduce automated methods have been performed previously, many of these methods lack sufficient labeled data or require various conditions in the detection process that can only be applied to the target material. Thus, in this study, we developed AtomGAN, which is a robust, unsupervised learning method, that segments defects in classical 2D material systems and the heterostructures of MoS2/WS2automatically. To solve the data scarcity problem, the proposed model is trained on unpaired simulated data that contain point and line defects for MoS2/WS2. The proposed AtomGAN was evaluated on both simulated and real electron microscope images. The results demonstrate that the segmented point defects and line defects are presented perfectly in the resulting figures, with a measurement precision of 96.9%. In addition, the cycled structure of AtomGAN can quickly generate a large number of simulated electron microscope images.

关键词： deep learning generative adversarial network defect detection atomic resolution 2D materials

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Degradation mechanism analysis of LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2) single crystal cathode materials through machine learning

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npj Computational Materials 2022年第1期8卷 2119-2127页

作者： Wuxin Sha Yaqing Guo danpeng cheng Qigao Han Ping Lou Minyuan Guan Shun Tang Xinfang Zhang Songfeng Lu Shijie cheng Yuan-cheng Cao School of Computer Science and Technology Huazhong University of Science and TechnologyWuhan430074China State Key Laboratory of Advanced Electromagnetic Engineering and Technology School of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhan430074China Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan430074China State Grid Huzhou Electric Power Supply Company Huzhou313000China School of Cyber Science&Engineering Huazhong University of Science and TechnologyWuhan430074China

LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2)(NCM523)has become one of the most popular cathode materials for current lithium-ion batteries due to its high-energy density and cost ***,the rapid capacity fading of NCM severely hinders its development and ***,the single crystal NCM523 materials under different degradation states are characterized using scanning transmission electron microscopy(STEM).Then we developed a neural network model with a two-sequential attention block to recognize the crystal structure and locate defects in STEM *** number of point defects in NCM523 is observed to experience a trend of increasing first and then decreasing in the degradation *** space between the transition metal columns shrinks obviously,inducing dramatic capacity *** analysis sheds light on the defect evolution and chemical transformation correlated with layered material *** also provides interesting hints for researchers to regenerate the electrochemical capacity and design better battery materials with longer life.

关键词： battery crystal analysis

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相变贮热管管内强化传热的数值研究

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太阳能学报 2007年第4期28卷 427-435页

作者：叶宏程丹鹏葛新石中国科学技术大学热科学和能源工程系合肥230027

以管壳式相变换热器为例,研究了肋片对增强贮热管管内传热的影响。建立了内部设置肋片的贮热管放热过程的数理模型,分析比较了不同的肋片参数,如肋片布置密度、长度及厚度等因素对贮热管放热效果的影响,并通过瞬态传热过程的计算,确定... 详细信息

以管壳式相变换热器为例,研究了肋片对增强贮热管管内传热的影响。建立了内部设置肋片的贮热管放热过程的数理模型,分析比较了不同的肋片参数,如肋片布置密度、长度及厚度等因素对贮热管放热效果的影响,并通过瞬态传热过程的计算,确定了与多种肋片布置方式所对应的相变贮热管的有效导热系数。

关键词：管壳式相变换热器相变贮热管强化传热肋片有效导热系数

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管壳式相变换热器贮热换热效果的数值研究

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太阳能学报 2008年第12期29卷 1499-1503页

作者：叶宏赵晓程丹鹏徐斌中国科学技术大学热科学和能源工程系合肥230027

选取了一种典型的贮热管排列方式,壳侧走水,管侧填充相变材料,在此基础上建立了管壳式相变换热器对水流放热的数理模型,并据此模型对换热器放热过程进行了计算,根据计算结果分析比较了管内相变材料的有效导热系数、水的质量流率、入口... 详细信息

选取了一种典型的贮热管排列方式,壳侧走水,管侧填充相变材料,在此基础上建立了管壳式相变换热器对水流放热的数理模型,并据此模型对换热器放热过程进行了计算,根据计算结果分析比较了管内相变材料的有效导热系数、水的质量流率、入口水温、换热器长度对换热器整体性能的影响。通过对比换热器贮热量与同尺寸普通水箱的贮热量,分析了该型换热器相对于普通水箱的贮热优势。

关键词：管内强化传热相变贮热管管壳式相变换热器有效导热系数

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