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SSrN 2023年

作者： Sun, dawei Wang, Jiaxin Wang, Hui Yan, Zheng Ma, Wenxu Ma, Xiaoyu Wang, Yali Ma, Zhongcheng Jin, Xiaodong Sun, Shibing Cui, Suping Wang, Zhiyong College of Materials Science and Engineering Beijing University of Technology Beijing100124 China State Key Laboratory of Solid Waste Reuse for Building Materials Beijing Building Materials Academy of Sciences Research Beijing100041 China Key Technologies R&D Program CNBM China

In epoxy-amine based self-healing cement-based materials, the uncontrollable stoichiometric ratio of both components in the cracks leads to the cured epoxy resin with various crosslink densities. Investigate the interaction mechanism between cured epoxy resin and C-S-H gel help us to optimize the final self-healing performances. In this work, the interaction between load-induced broken panels of C-S-H gel and cured epoxy resins with different crosslink densities (e.g., 0.23, 0.77, and 0.97) was studied through molecular dynamic methods. It was found that crosslink density plays an essential role in the geometrical size and atom distributions. Phase separation occurs at the low crosslink density due to the aggregation of amine molecules. The generation of fresh crosslink points limits the free motion of epoxy molecules with higher crosslink density. Meanwhile, the cured epoxy resin with higher crosslink density causes a high porosity in the interfacial region between the epoxy resin and C-S-H gel substrates. © 2023, The Authors. All rights reserved.

关键词： Epoxy resins

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Improvement of image classification by multiple optical scattering

arXiv

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arXiv 2021年

作者： Gao, Xinyu Li, Yi Qiu, Yanqing Mao, Bangning Chen, Miaogen Meng, Yanlong Zhao, Chunliu Kang, Juan Guo, Yong Shen, Changyu National Key R&D Program of China

—Multiple optical scattering occurs when light propagates in a non-uniform medium. during the multiple scattering, images were distorted and the spatial information they carried became scrambled. However, the image information is not lost but presents in the form of speckle patterns (SPs). In this study, we built up an optical random scattering system based on an LCd and an rGB laser source. We found that the image classification can be improved by the help of random scattering which is considered as a feedforward neural network to extracts features from image. Along with the ridge classification deployed on computer, we achieved excellent classification accuracy higher than 94%, for a variety of data sets covering medical, agricultural, environmental protection and other fields. In addition, the proposed optical scattering system has the advantages of high speed, low power consumption, and miniaturization, which is suitable for deploying in edge computing applications. © 2021, CC BY.

关键词： Machine learning

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Forming Solid-Electrolyte Interphases with rich Grain Boundaries on 3d Lithiophilic Skeleton for Low-Temperature Lithium Metal Batteries

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ENErGY STOrAGE MATErIALS 2022年 49卷 454-462页

作者： Wang, dongdong Lv, dan Liu, Hongxia Yang, Jian Qian, Yitian Chen, Zheng Shandong Univ Sch Chem & Chem Engn Key Lab Colloid & Interface Chem Minist Educ Jinan 250100 Peoples R China Univ Calif San Diego Dept Nanoengn La Jolla CA 92093 USA Tianjin Univ R&D Ctr Petrochem Technol Key Lab Green Chem Technol Minist Educ Tianjin 300072 Peoples R China Univ Calif San Diego Program Chem Engn La Jolla CA 92093 USA Univ Calif San Diego Sustainable Power & Energy Ctr La Jolla CA 92093 USA

rational design of the current collector along with further constructing solid electrolyte interphases (SEI) shows great promise to achieve uniform lithium (Li) deposition, specifically at low temperature. Here we report a Li2ONi based SEI layer with rich grain boundaries formed on the three-dimensional (3d) Ni-NiO current collector for stabilizing Li metal anodes. different from two-dimensional (2d) substrates, the lithiophilic 3d substrates with porous structures exhibit high binding affinity to Li and provide enough space for volume fluctuation, leading to uniform Li deposition. The grain boundaries between Li2O (111) and Ni (111) in the SEI layer display a low diffusion barrier of Li+, facilitating Li+ transport through the interface. As a result, Li||NCM811 full cells using 3d Ni-NiO display an excellent cycling stability with capacity retention of 80.8% after 160 cycles under harsh conditions, i.e., a limited Li supply (N/P = 2.4) and a high areal capacity (4.0 mAh cm- 2). Even at low temperature of -30 degrees C, Li||NCM811 full cells with 3d Ni-NiO exhibit a large areal capacity of 3.2 mAh cm-2 and apparently enhanced cycle life with limited Li anode (N/P = 1.2) compared with non-lithiophilic 3d current collectors.

关键词： solid electrolyte interphase lithium metal low temperature rich grain boundary harsh conditions

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‘Invisible’ orthodontics by polymeric ‘clear’ aligners molded on 3d-printed personalized dental models

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regenerative Biomaterials 2022年第1期9卷 1-12页

作者： Xiaoye Yu Guanghui Li Yikan Zheng Jingming Gao Ye Fu Qunsong Wang Lei Huang Xiaogang Pan Jiandong ding State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200438China Department of Orthodontics Shanghai Ninth People’s HospitalCollege of StomatologyShanghai Jiao Tong University School of MedicineNational Clinical Research Center for Oral DiseasesShanghai Key Laboratory of Stomatology&Shanghai Research Institute of StomatologyShanghai 200011China R&D Center EA Medical Device Technologies Co.Ltd.Wuxi 214174China

The malalignment of teeth is treated classically by metal braces with alloy wires,which has an unfavorable influence on the patients appearance during the *** the development of digitization,computer simulation and three-dimensional(3d)printing technology,herein,a modern treatment was tried using clear polymeric aligners,which were fabricated by molding polyurethane films via thermoforming on the 3d-printed personalized dental *** key parameters of photocurable 3d printing of dental models and the mechanical properties of the clear aligner film material were *** precision of a 3d-printed dental model mainly relied on characteristics of photocurable resin,the resolution of light source and the exposure condition,which determined the eventual shape of the molded clear aligner and thus the orthodontic treatment *** biocompatibility of the polyurethane filmmaterial was confirmed through cytotoxicity and hemolysis tests in *** a series of 3d-printed personalized dental models and finite element analysis to predict and plan the fabrication and orthodontic processes,corresponding clear aligners were fabricated and applied in animal experiments,which proved the efficacy and biocompatibility in *** treatments of 120 orthodontic cases were finally carried out with success,which highlights the advantage of the clear aligners as an esthetic,compatible and efficient appliance.

关键词： 3d printing polymer biomaterial clear aligner orthodontics

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Smart design and Manufacturing the Welded Q350 Steel Frames via Lifecycle Management Strategy of digital Twin

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Journal of Beijing Institute of Technology 2023年第4期32卷 385-395页

作者： Letian Fan Xinchao Wang Yongsheng Chen Li Wang Shumi Liu Yuanfei Wang Xinwei Li Kun du Jia Zhang Xingyu Gao Feng Sun Haifeng Song William Yi Wang Jinshan Li R&D Center CRRC Tangshan Co.Ltd.Tangshan 063035HebeiChina Innovation Centre NPU ChongqingChongqing 401135China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Western Superconducting Technologies Co. Ltd.Xi’an 710018China Chongqing Ti-master Co. LtdChongqing 401135China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

Artificial intelligent aided design and manufacturing have been recognized as one kind of robust data-driven and data-intensive technologies in the integrated computational material engi-neering(ICME)*** by the dramatical developments of the services of China railway High-speed series for more than a decade,it is essential to reveal the foundations of lifecycle man-agement of those trains under environmental ***,the smart design and manufacturing of welded Q350 steel frames of Cr200J series are introduced,presenting the capability and opportu-nity of ICME in weight reduction and lifecycle management at a cost-effective *** order to address the required fatigue life time enduring more than 9×10^(6)km,the response of optimized frames to the static and the dynamic loads are comprehensively *** is highlighted that the maximum residual stress of the optimized welded frame is reduced to 69 MPa from 477 MPa of previous existing *** on the measured stress and acceleration from the railways,the fatigue life of modified frame under various loading modes could fulfil the requirements of the lifecycle ***,our recent developed intelligent quality control strategy of welding process mediated by machine learning is also introduced,envisioning its application in the intelligent weld-ing.

关键词： fatigue intelligent manufacturing integrated computational materials engineering(ICME) digital twin machine learning

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Performance Enhancement and Mechanism Analysis of IGZO Thin-Film Transistors Utilizing Interdigital Structure

Performance Enhancement and Mechanism Analysis of IGZO Thin-...

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17th Symposium on Thin Film Transistors, TFT 2024, held at the PriME 2024 Meeting

作者： Lu, Yupeng Yan, Gangping Yang, Yanyu Sun, Peng Luo, Jie Bao, Yunjiao Niu, Chuqiao Wang, Peng Xu, Gaobo Wang, Guilei Chao, Zhao Yin, Huaxiang Luo, Jun School of Integrated Circuits University of Chinese Academy of Sciences Beijing100049 China State Key Lab of Fabrication Technologies for Integrated Circuits Institute of Microelectronics Chinese Academy of Sciences Beijing100029 China Integrated Circuit Advanced Process R&D Center Institute of Microelectronics Chinese Academy of Sciences Beijing100029 China Beijing Superstring Academy of Memory Technology China

ISBN: (纸本)9781623326630

—This study investigates the issue of leakage current reduction in oxide semiconductor thin-film transistors (TFTs) with interdigital structures. Electrical measurements clearly demonstrate that the leakage current of interdigitated IGZO devices decreases as the on/off ratio increases. To explore the reasons behind the reduction in leakage current, we conducted two-dimensional device simulations. The results confirm that the use of interdigital structures can influence the electric field distribution within the device channel, introducing shielding electric fields. As the number of interlayer structures between the source and drain increases, the shielding electric fields proportionally increase. Additionally, interdigitated IGZO devices exhibit a large on/off ratio exceeding 2.7×1010, an ultra-low leakage current of less than 3×10-16 A/μm, and a high saturation mobility of 9.4 cm2/Vs. These findings provide valuable insights for designing low-power, high-performance devices based on IGZO. ©The Electrochemical Society.

关键词： Thin film transistors

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direct synthesis of N_(2)-unprotected five-memberedcyclic guanidines by regioselective[3+2]annulation of aziridines and cyanamides

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Organic Chemistry Frontiers 2022年第6期9卷 1574-1579页

作者： Chuan-Chuan Wang Xin-Lu Wang Qing-Ling Zhang Juntao Liu Zhi-Wei M Zhi-Jing Liu Ya-Jing Chen School of Pharmaceutical Sciences Key Laboratory of Advanced Drug Preparation TechnologiesMinistry of Education of ChinaCo-Innovation Center of Henan Province for New Drug R&D and Preclinical SafetyZhengzhou University100 Science AvenueZhengzhou 450001HenanChina Faculty of Science Livestock Product Quality Inspection InstituteHenan University of Animal Husbandry and EconomyNo.146 Yingcai StreetZhengzhou 450044HenanChina

A novel and efficient[3+2]annulation of 2-substituted aziridines and N-tosyl cyanamides via a dominoregioselective ring-opening/5-exo-dig cyclization procedure has been developed,allowing the directpreparation of N_(2)-unprotected five-membered cyclic guanidines in good to excellent yields under mildconditions without metals and strong ***,the highly biologically interesting urea analoguescould also be conveniently obtained via hydrolysis of the produced guanidines.

关键词： membered protected guanidine

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Hybrid simulation method of quantum characteristics for advanced Si MOSFETs under extreme conditions by incorporating simplified master equation with TCAd

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results in Physics 2024年 63卷

作者： Zhu, Xiaohui Yin, Huaxiang Integrated Circuit Advanced Process R&D Center and State Key Lab of Fabrication Technologies for Integrated Circuits Institute of Microelectronics of the Chinese Academy of Sciences University of Chinese Academy of Sciences

Silicon (Si)-based quantum-dot (Qd) device by advanced CMOS process is one of important technologies for quantum computing application and currently, it needs a fast and accurate quantum characteristics simulation for designing and optimizing the devices. In this paper, for the first time, a fast hybrid simulation method is proposed by incorporating simplified quantum master equation model with the traditional TCAd tool. Additionally, a SPICE MOdEL is incorporated for transient current correction to achieve results closer to real observations. The Qd devices forming on advanced stacked Si nanowire (NW) and stacked Si nanosheet (NS) are constructed and simulated by this method, yielding Coulomb diamond plot and charge energies for different structures at 1 K. Notably, a Coulomb blockade region of approximately 82 mV and a first Coulomb step width approximately 1.6 times wider than the blockade region are observed, consistent with theoretical expectations and confirming the method's efficacy. Simulation characteristics of advanced diamond-like channel devices are obtained within 1277 s, demonstrating over 85% matching with experimental data. Meanwhile, the influence of quantum characteristics varying with the transistor's structure and process parameters is also analyzed, which in turn provide a guidance for the design and the optimization of the Qd device by advanced Si CMOS process. © 2024

关键词： Hybrid simulation Master equation Quantum dots TCAd

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Mass Balance Analysis of Sulfamethoxazole in the Process of Extracellular Polymeric Substances Extraction from Excess Sludges

SSRN

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SSrN 2025年

作者： Cheng, Ming Qian, Yijia Zhao, Bohan Zhang, Nan Sun, Lihua Liu, ranbin Hao, Xiaodi Shi, Chen Sino-Dutch R&D Centre for Future Wastewater Treatment Technologies Key Laboratory of Urban Stormwater System and Water Environment Beijing University of Civil Engineering and Architecture Beijing100044 China Beijing100081 China Beijing100044 China

Alginate-like extracellular polymers (ALE) extracted from excess sludge, as well as their precursors alkaline extraction extracellular polymeric substances (AEPS), have been expected to achieve sustainable development in response to the resource-climate crisis and to enable the transformation of water resource plants. However, the extracted biopolymers are at risk of pollutant fugacity due to the sludge originating from wastewater plants with a complex pollution environment. Therefore, the aim of this study was to quantify the effect of different factors on the occurrence of sulfamethoxazole (SMX) in different biopolymers from four sludge categories, analyzing the mass balance of SMX throughout the extraction process. Characterization illustrated that the biopolymers extracted from the four sludges had different chemical compositions and physicochemical properties;the results of the mass balance experiments showed that SMX was much more abundant in AEPS than in ALE, with the highest content in AGS (about 28%) and the lowest in AdS;the results of the response surface showed that pH among the environmental factors had the greatest influence on SMX incorporation in the sludges. the lowest in AdS;pH among the had the most significant effect on SMX existence in biopolymers. These results have potential significance for understanding sludge-sulfamethoxazole interactions and provide important reference information for process selection for large-scale application of EPS extraction from sludge. © 2025, The Authors. All rights reserved.

关键词： Alkalinity

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Surface Ligand Evolution:Sulfur-directed Covalent Bonding of PPh_(3) on Pd_(4)S with Improved Semi-hydrogenation of Terminal Alkynes

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Precision Chemistry 2024年第5期2卷 200-207页

作者： Wentong Jing Shiguang Mo Weijie Zhang Wenting Zhou Kunlong Liu Jie Wei ruixuan Qin Nanfeng Zheng New Cornerstone Science Laboratory State Key Laboratory for Physical Chemistry of Solid SurfacesCollaborative Innovation Center of Chemistry for Energy Materialsand National&Local Joint Engineering Research Center of Preparation Technology of NanomaterialsCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China China Resources Cement Technology R&D(Guangxi)Co Ltd. Nanning 530008China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361102China

Surface modification of metallic nanocatalysts with organic ligands has emerged as an effective strategy to enhance catalytic selectivity,although offten at the expense of catalytic *** this study,we demonstrate a compelling approach by surface modifying Pd2S nanocrystals with PPhz ligands,resulting in a catalyst with excellent catalytic activity and durable selectivity for the semi-hydrogenation of terminal *** and theoretical investigations reveal that the presence of S sites on the Pd surface directs PPh_(3) ligands to preferentially form covalent bonds with S,creating distinctive surface S=PPh_(3) *** configuration induces a partial positive charge on Pd,facilitating hydrogen transfer and thus promoting catalytic ***,the covalent bond between the ligand and catalyst surface forms a robust network,ensuring ligand stability and increasing the hydrogenation energy barrier of ***,the Pd_(4)S@PPhz catalyst exhibits an improved catalytic selectivity with durability in terminal alkyne *** study introduces an effective strategy for designing selective hydrogenation catalysts with an enhanced performance.

关键词： Pd nanocatalysts surface modification selective hydrogenation catalytic stability alkyne semi-hydrogenation

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