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Accurate atomic scanning transmission electron microscopy analysis enabled by deep learning

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Nano Research 2024年第4期17卷 2971-2980页

作者： Tianshu Chu Lei Zhou Bowei Zhang Fu-Zhen xuan Shanghai Key Laboratory of Intelligent Sensing and Detection Technology East China University of Science and TechnologyShanghai 200237China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety of Ministry of Education East China University of Science and TechnologyShanghai 200237China

Currently,the machine learning(ML)-based scanning transmission electron microscopy(STEM)analysis is limited in the simulative stage,its application in experimental STEM is needed but ***,we built up a universal model to analyze the vacancy defects and single atoms accurately and rapidly in experimental STEM images using a full convolution *** our model,the unavoidable interference factors of noise,aberration,and carbon contamination were fully considered during the training,which were difficult to be considered in the *** toward the simultaneous identification of various vacancy types and low-contrast single atoms in the low-quality STEM images,our model showed rapid process speed(45 images per second)and high accuracy(>95%).This work represents an improvement in experimental STEM image analysis by ML.

关键词： deep learning low-dimensional materials atomic defects single atoms

Laser Powder Bed Fusion of Beta-Type Titanium Alloys for Biomedical Application:A Review

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Acta Metallurgica Sinica(English Letters) 2024年第1期37卷 17-28页

作者： xuan Luo Chao Yang Dongdong Li Lai-Chang Zhang State Key Laboratory of Materials Processing and Die&Mould Technology Huazhong University of Science and TechnologyWuhan430074China National Engineering Research Center of Near-Net-Shape Forming for Metallic Materials Guangdong Provincial Key Laboratory for Processing and Forming of Advanced Metallic MaterialsSouth China University of TechnologyGuangzhou510640China Centre for Advanced Materials and Manufacturing School of EngineeringEdith Cowan University270 Joondalup DriveJoondalupPerthWA6027Australia

Additive manufacturing ofβ-type titanium alloy is expected to replace Ti-6Al-4V alloy in the field of orthopedic implantation because of their low elastic modulus,excellent corrosion resistance,and *** briefly introducing the laser powder bed fusion(LPBF)process and physical phenomena,this paper reviews the recent progresses in LPBF-edβ-type Ti *** strategies to strengthening and tougheningβ-type Ti alloys are critically *** is followed by the processing routes employed to achieve to low modulus for orthopedic applications,especially a new methodology for tailoring crystallographic orientation called multi-track coupled directional *** effect of processing and compositions on performance metrics ofβ-type Ti alloys included corrosion behavior,and biocompatibility is *** the end,challenges in additive manufacturing ofβ-type Ti alloys in future are highlighted,with the aim to ensue clinical application of LPBF-edβ-type Ti alloys.

关键词： β-type Ti alloys Laser powder bed fusion Mechanical properties Elastic modulus Biocompatibility

Data-driven rational design of single-atom materials for hydrogen evolution and sensing

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Nano Research 2024年第4期17卷 3352-3358页

作者： Lei Zhou Pengfei Tian Bowei Zhang Fu-Zhen xuan Shanghai Key Laboratory of Intelligent Sensing and Detection Technology East China University of Science and TechnologyShanghai 200237China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety of Ministry of Education East China University of Science and TechnologyShanghai 200237China

Herein we proposed a data-driven high-throughput principle to screen high-performance single-atom materials for hydrogen evolution reaction(HER)and hydrogen sensing by combing the theoretical computations and a topology-based multi-scale convolution kernel machine learning *** the rational training by 25 groups of data and prediction of all 168 groups of single-atom materials for HER and sensing,respectively,a high prediction accuracy(>0.931 R^(2) score)was achieved by our *** show that the promising HER catalysts include Pt atoms in C_(4) and Sc atoms in C_(1)N_(3) coordination ***,Y atoms in C_(4) coordination environment and Cd atoms in C_(2)N_(2)-ortho coordination environment were predicted with great potential as hydrogen sensing *** method provides a way to accelerate the discovery of innovative materials by avoiding the time-consuming empirical principles in experiments.

关键词： machine learning single-atom materials sensing hydrogen evolution

Enantioselective Synthesis of Benzimidazole Atropisomers Featuring a N-N Axis

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Chinese Journal of Chemistry 2024年第7期42卷 711-718页

作者： Fang-Bei Ge Qi-Kun Yin Chuan-Jun Lu xuan xuan Jia Feng Ren-Rong Liu College of Chemistry and Chemical Engineering Qingdao UniversityQingdaoShandong 266071China School of Pharmacy Key Laboratory of Molecular Pharmacology and Drug EvaluationMinistry of EducationYantai UniversityYantaiShandong 264005China

Atroposelective synthesis of N-N atropisomers is an emerging area but remains underexplored;in particular,the synthesis of N-N benzimidazole atropisomers is still ***,the first enantioselective synthesis of N-N benzimidazole atropisomers via the palladium-catalyzed de novo construction of benzimidazole skeleton is *** readily available palladium catalyst and biphosphine ligand,a broad range of nonbiaryl benzimidazole and indole-benzimidazole atropisomers were conveniently ac-cessed in high yields and with excellent ***,these N-N benzimidazole atropisomers showed great anti-tumor activity and selectivity to breast cancer MCF-7 *** simple catalytic system,broad substrate scope,high enantioselectivi-ty,and good bioactivity make this approach highly attractive.

关键词： Asymmetric synthesis Atropisomerism Palladium Benzimidazole Antitumor

Therapeutic advances in atrial fibrillation based on animal models

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2024年第2期25卷 135-152页

作者： Qian GONG xuan LE Pengcheng YU Lenan ZHUANG Institute of Genetics and Reproduction College of Animal SciencesZhejiang UniversityHangzhou310058China Key Laboratory of Cardiovascular Intervention and Regenerative Medicine of Zhejiang Province Department of CardiologySir Run Run Shaw HospitalSchool of MedicineZhejiang UniversityHangzhou310016China

Atrial fibrillation(AF)is the most prevalent sustained cardiac arrhythmia among humans,with its incidence increasing significantly with *** the high frequency of AF in clinical practice,its etiology and management remain *** develop effective treatment strategies,it is imperative to comprehend the underlying mechanisms of AF;therefore,the establishment of animal models of AF is vital to explore its *** spontaneous AF is rare in most animal species,several large animal models,particularly those of pigs,dogs,and horses,have proven as invaluable in recent years in advancing our knowledge of AF pathogenesis and developing novel therapeutic *** review aims to provide a comprehensive discussion of various animal models of AF,with an emphasis on the unique features of each model and its utility in AF research and *** data summarized in this review provide valuable insights into the mechanisms of AF and can be used to evaluate the efficacy and safety of novel therapeutic interventions.

关键词： Atrial fibrillation Animal model Therapeutic

Sequence design in terpolymerization ofε-caprolactone,CO_(2) and cyclohexane oxide:Random ester-carbonate distributions lead to large-span tunability

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Chinese Chemical Letters 2024年第5期35卷 259-264页

作者： Zhenjie Yang Chenyang Hu xuan Pang Xuesi Chen Key Laboratory of Polymer Ecomaterials Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

It is of great interest to make a degradable material widely tailorable to replace petroleum-derived products among diverse ***,we report the construction of a new multi-purpose degradable material for the first time via a simple ternary copolymerization system comprisingε-caprolactone(ε-CL),cyclohexane oxide(CHO)and CO_(2).Under low pressure of 1 bar∼5 bar,the ring-opening polymerization(ROP)ofε-CL and ring-opening copolymerization(ROCOP)of CO_(2) and CHO can simultaneously *** carbonate units are randomly distributed on the polymer *** random terpolymers have controllable molar mass(10-106 kDa)and compositions(4-33 mol%CO_(2)).And the obtained materials show large-span tunability from tough plastic to elastomer and even adhesive.

关键词： Polyesters CO_(2)-derived copolymers Random copolymerization Elastomers Adhesives

Research on an innovative structure of an open-ribbed steel-ultra-high performance concrete composite bridge deck

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Frontiers of Structural and Civil Engineering 2024年第5期18卷 716-730页

作者： Xudong SHAO xuan SUN Deqiang ZOU Junhui CAO Chuanqi YANG School of Civil Engineering Hunan UniversityKey Laboratory for Wind and Bridge Engineering of Hunan ProvinceChangsha 410082China China Construction Fifth Engineering Division Co. Ltd.Changsha 410004China

To completely solve the problem of fatigue cracking issue of orthotropic steel bridge decks(OSDs),the authors proposed a steel–ultra-high performance concrete(UHPC)lightweight composite deck(LWCD)with closed ribs in *** on the successful application of that LWCD,an adaptation incorporating an innovative composite deck structure,i.e.,the hot-rolled section steel–UHPC composite deck with open ribs(SSD)is proposed in this paper,aiming to simplify the fabrication process as well as to reduce the cost of *** on a long-span cable-stayed bridge,a design scheme is proposed and is compared with the conventional OSD ***,a finite element(FE)calculation is conducted to reflect both the global and local behavior of the SSD scheme,and it is found that the peaked stresses in the SSD components are less than the corresponding allowable values.A static test is performed for an SSD strip specimen to understand the anti-cracking behavior of the UHPC layer under negative bending *** static test results indicate that the UHPC layer exhibited a satisfactory tensile toughness,the UHPC tensile strength obtained from the test is 1.8 times the calculated stress by the FE model of the real *** addition,the fatigue stresses of typical fatigue-prone details in the SSD are calculated and evaluated,and the influences of key design parameters on the fatigue performance of the SSD are *** to the fatigue results,the peaked stress ranges for all of the 10 fatigue-prone details are within the corresponding constant amplitude fatigue *** a fatigue test is carried out for another SSD strip specimen to explore the fatigue behavior of the fillet weld between the longitudinal and transverse *** specimen failed at the fillet weld after equivalent 47.5 million cycles of loading under the design fatigue stress range,indicating that the fatigue performance of the SSD could meet the fatigue design *** calculations and experim

关键词： steel-ultra-high performance concrete composite deck open rib strip model test static and fatigue performance orthotropic steel deck

Total-factor energy efficiency of ten major global energy-consuming countries

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Journal of Environmental Sciences 2024年第3期137卷 41-52页

作者： xuan Wang Yonglong Lu Chunci Chen Xiaojie Yi Haotian Cui State Key Laboratory of Urban and Regional Ecology Research Centre for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China State Key Laboratory of Marine Environmental Science and Key Laboratory of the Ministry of Education for Coastal Wetland Ecosystems College of the Environment and EcologyXiamen UniversityFujian 361102China University of Chinese Academy of Sciences Beijing 100049China

Improving energy efficiency is regarded as a key path to tackling global warming and achieving the Sustainable Development Goals(SDGs).In 2020,the energy consumption of the world's ten major energy-consuming countries accounted for 66.8%of the global *** paper applied data envelopment analysis(DEA)to calculate these ten major energyconsuming countries'total-factor energy efficiency(TFEE)at national and sectoral levels from 2001-2020,and explored the infuencing factors of total-factor energy efficiency with the Tobit regression *** results showed significant difference in the ten countries'energy *** United States and Germany topped the list for total-factor energy efficiency,while China and India were at the ***,the energy efficiency of the industrial subsector has increased significantly over the past two decades,while that of the other subsectors has been relatively *** industrial structure upgrading,per capita GDP,energy consumption structure,and foreign direct investment had significant impacts on energy efficiency with national *** consumption structure and GDP per capita were determinative factors of energy efficiency.

关键词： Total-factor energy efficiency SBM-UN model Major energy-consuming country Carbon emission reduction

Investigation of crack segmentation and fast evaluation of crack propagation, based on deep learning

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Frontiers of Structural and Civil Engineering 2024年第4期18卷 516-535页

作者： Than V.TRAN H.NGUYEN-xuan Xiaoying ZHUANG Institute of Photonics Leibniz University HannoverHannover 30167Germany CIRTech Institute HUTECH UniversityHo Chi Minh City 700000Vietnam College of Civil Engineering Tongji UniversityShanghai 200092China

Identifying crack and predicting crack propagation are critical processes for the risk assessment of engineering *** traditional approaches to crack modeling are faced with issues of high computational costs and excessive computing *** address this issue,we explore the potential of deep learning(DL)to increase the efficiency of crack detection and forecasting crack ***,there is no single algorithm that can fit all data sets well or can apply in all cases since specific tasks *** the paper,we present DL models for identifying cracks,especially on concrete surface images,and for predicting crack ***,SegNet and U-Net networks are used to identify concrete *** gradient descent(SGD)and adaptive moment estimation(Adam)algorithms are applied to minimize loss function during ***,time series algorithms including gated recurrent unit(GRU)and long short-term memory(LSTM)are used to predict crack *** experimental findings indicate that the U-Net is more robust and efficient than the SegNet for identifying crack segmentation and achieves the most outstanding *** evaluation of crack propagation,GRU and LSTM are used as DL models and results show good agreement with the experimental data.

关键词： deep learning crack segmentation crack propagation encoder−decoder recurrent neural network