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8th International Conference on Manufacturing, Material and Metallurgical engineering, ICMMME 2024

作者： Hassan, Arhum Abed, Farid Materials Science and Engineering Program College of Arts and Sciences American University of Sharjah Sharjah26666 United Arab Emirates Department of Civil Engineering American University of Sharjah Sharjah26666 United Arab Emirates

ISBN: (纸本)9783031782947

This work predicts the temperature ranges for dynamic strain aging (DSA) activation in C45 steel at various strain rates through constitutive modeling and finite element (FE) simulations. DSA is often defined by a sudden increase in a metal’s strength when subjected to specific combinations of strain rates and temperatures due to the interaction of the diffused solute atoms with dislocations, and there is currently no effective constitutive model in the literature that can explain DSA physically. The current study offers a modification to the Voyiadjis–Abed (VA) model, which is used to predict DSA activation in C45 steel, in order to address this limitation. The modified constitutive model considers the diffusion kinetics and concentration of solute atom along the dislocation cores. The developed model was able to capture the activation of DSA in C45 steel at strain rates of 0.0015/s-0.15/s and temperature ranges of 500 K-750 K, which was found to be caused by carbon solute atoms. Additionally, FE simulations were carried out in ABAQUS through subroutine coded as VUMAT to validate the modified VA model’s prediction abilities. The results obtained compare effectively with the available experimental data. By integrating physical and microstructural features, the modified constitutive VA model can effectively capture the increase in flow stress due to the activation of DSA. This enables further investigation and progress in understanding the behavior of metals under specified temperature and strain rate conditions. © The Author(s), under exclusive license to Springer Nature Switzerland AG 2025.

关键词： Digital elevation model

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AI for organic and polymer synthesis

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science China Chemistry 2024年第8期67卷 2461-2496页

作者： Xin Hong Qi Yang Kuangbiao Liao Jianfeng Pei Mao Chen Fanyang Mo Hua Lu Wen-Bin Zhang Haisen Zhou Jiaxiao Chen Lebin Su Shuo-Qing Zhang Siyuan Liu Xu Huang Yi-Zhou Sun Yuxiang Wang Zexi Zhang Zhunzhun Yu Sanzhong Luo Xue-Feng Fu Shu-Li You Center of Chemistry for Frontier Technologies Department of ChemistryZhejiang UniversityHangzhou 310027China Center of Basic Molecular Science Department of ChemistryTsinghua UniversityBeijing 100084China Guangzhou National Laboratory Guangzhou 510005China Center for Quantitative Biology Academy for Advanced Interdisciplinary StudiesPeking UniversityBeijing 100871China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200433China School of Materials Science and Engineering Peking UniversityBeijing 100871China Beijing National Laboratory for Molecular Sciences Center for Soft Matter Science and EngineeringKey Laboratory of Polymer Chemistry and Physics of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China AI for Science(AI4S)-Preferred Program Shenzhen Graduate SchoolPeking UniversityShenzhen 518055China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryUniversity of Chinese Academy of SciencesChinese Academy of SciencesShanghai 200032China Department of Chemical Sciences National Natural Science Foundation of ChinaBeijing 100085China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

Recent years have witnessed the transformative impact from the integration of artificial intelligence with organic and polymer synthesis. This synergy offers innovative and intelligent solutions to a range of classic problems in synthetic chemistry. These exciting advancements include the prediction of molecular property, multi-step retrosynthetic pathway planning, elucidation of the structure-performance relationship of single-step transformation, establishment of the quantitative linkage between polymer structures and their functions, design and optimization of polymerization process, prediction of the structure and sequence of biological macromolecules, as well as automated and intelligent synthesis platforms. Chemists can now explore synthetic chemistry with unprecedented precision and efficiency, creating novel reactions, catalysts, and polymer materials under the datadriven paradigm. Despite these thrilling developments, the field of artificial intelligence(AI) synthetic chemistry is still in its infancy, facing challenges and limitations in terms of data openness, model interpretability, as well as software and hardware support. This review aims to provide an overview of the current progress, key challenges, and future development suggestions in the interdisciplinary field between AI and synthetic chemistry. It is hoped that this overview will offer readers a comprehensive understanding of this emerging field, inspiring and promoting further scientific research and development.

关键词： organic synthesis polymer synthesis machine learning prediction chemical database automated synthesis

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High sulfur loading and shuttle inhibition of advanced sulfur cathode enabled by graphene network skin and N,P,F-doped mesoporous carbon interfaces for ultra-stable lithium sulfur battery

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Nano Research Energy 2023年第1期2卷 148-156页

作者： Haotian Liu Fan Liu Zehua Qu Jieling Chen Hui Liu Yiqing Tan Jiabao Guo Yan Yan Shuang Zhao Xinsheng Zhao Xinming Nie Xin Ma Zengxia Pei Mingkai Liu School of Chemistry&Materials Science Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional MaterialsJiangsu Normal UniversityXuzhou 221116China School of Physics and Astronomy Sun Yat-sen UniversityZhuhai 519082China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200433China School of Physics and Electronic Engineering Jiangsu Normal UniversityXuzhou 221116China School of Chemistry and Materials Science Nanjing University of Information Science and TechnologyNanjing 210044China School of Chemical and Biomolecular Engineering The University of SydneySydneyNew South Wales 2006Australia

Achieving high loading of active sulfur yet rational regulating the shuttle effect of lithium polysulfide(LiPS)is of great significance in pursuit of high-performance lithium-sulfur(Li-S)***,we develop a free-standing graphene nitrogen(N),phosphorus(P)and fluorine(F)co-doped mesoporous carbon-sulfur(G-NPFMC-S)film,which was used as a binder-free cathode in Li-S *** developed mesoporous carbon(MC)achieved a high specific surface area of 921 m^(2)·g^(-1)with a uniform pore size distribution of 15 *** inserted graphene network inside G-NPFMC-S cathode can effectively improve its electrical conductivity and simultaneously restrict the shuttle of LiPS.A high sulfur loading of 86%was achieved due to the excellent porous structures of graphene-NPFMC(G-NPFMC)*** implemented as a freestanding cathode in Li-S battery,this G-NPFMC-S achieved a high specific capacity(1,356 mAh·g^(-1)),favorable rate capability,and long-term cycling stability up to 500 cycles with a minimum capacity fading rate of 0.025%per cycle,outperforming the corresponding performances of NPFMC-sulfur(NPFMC-S)and MC-sulfur(MC-S).These promising results can be ascribed to the featured structures that formed inside G-NPFMC-S film,as that highly porous NPFMC can provide sufficient storage space for the loading of sulfur,while,the N,P,F-doped carbonic interface and the inserted graphene network help hinder the shuttle of LiPS via chemical adsorption and physical barrier *** proposed unique structure can provide a bright prospect in that high mass loading of active sulfur and restriction the shuttle of LiPS can be simultaneously achieved for Li-S battery.

关键词： lithium sulfur battery high sulfur loading shuttle inhibition heteroatoms doped interface graphene network barrier

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Fused-ring induced end-on orientation in conjugated molecular dyads toward efficient single-component organic solar cells

Aggregate

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Aggregate 2023年第2期4卷 291-299页

作者： Dongdong Xia Shengxi Zhou Wen Liang Tan Safakath Karuthedath Chengyi Xiao Chaowei Zhao Frédéric Laquai Christopher R.McNeill Weiwei Li Institute of Applied Chemistry Jiangxi Academy of SciencesNanchangChina Beijing Advanced Innovation Center for Soft Matter Science and Engineering&State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijingChina Department of Materials Science and Engineering Monash UniversityClaytonAustralia KAUST Solar Center(KSC) Physical Sciences and Engineering Division(PSE)Material Science and Engineering Program(MSE)King Abdullah University of Science and Technology(KAUST)ThuwalSaudi Arabia

The molecular orientations of conjugated materials on the substrate mainly include edge-on,face-on,and ***-on and face-on orientations have been widely observed,while end-on orientation has been rarely *** in organic solar cells(OSCs)charge transport is along the vertical direction,end-on orientation with conjugated backbones perpendicular to the substrate is recognized as the ideal microstructure for *** this work,we for the first time obtained the preferential end-on orientation in a conjugated molecular dyad that contains a conjugated backbone as donor and perylene bisimide side units as *** was realized by introducing a fused-ring structure to replace linear terthiophenes with conjugated backbones,yielding F-MDPBI and L-MDPBI ***,a shifting trend of the molecular orientation from dominating edge-on in L-MDPBI to preferential end-on in F-MDPBI was *** a consequence,vertical charge carrier mobilities in F-MDPBI are one order of magnitude higher than those with preferential edge-on orientation,so single-component OSCs based on this molecular dyad as a single photoactive layer provided a power conversion efficiency of 4.89% compared to 1.70% based on L-MDPBI with preferential edge-on orientation.

关键词： conjugated molecular dyads crystallinity edge-on end-on single-component organic solar cells

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An Atlas of Fourier Transforms

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Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1404-1405页

作者： Shah, Miti Sung, Suk Hyun Hovden, Robert Engineering Physics Program University of Michigan Ann Arbor MI United States Department of Materials Science and Engineering University of Michigan Ann Arbor MI United States

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Recent progress in carbon-based electrochemical catalysts:From structure design to potential applications

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Nano Research Energy 2023年第2期2卷 3-25页

作者： Jixin Yan Fenghui Ye Quanbin Dai Xinyue Ma Zhihai Fang Liming Dai Chuangang Hu State Key Laboratory of Organic-Inorganic Composites College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China Australian Carbon Materials Centre(A-CMC) School of Chemical EngineeringUniversity of New South WalesSydneyNSW 2052Australia Department of Macromolecular Science and Engineering Case School of EngineeringCase Western Reserve UniversityClevelandOhio 44106USA

Advances in research and development of carbon-based metal-free electrocatalysts(C-MFECs)have provided potential alternatives to precious metal catalysts for various reactions important to renewable energy and environmental *** timely but critical review provides an overview of recent breakthroughs(within the past 5 years or so)on C-MFECs in all aspects,including the design and regulation of intrinsic catalytic active sites,design and synthesis of carbon composite and hybrid carbon catalysts,mechanism understanding,and potential applications in clean energy storage and energy/chemical *** challenges and future opportunities in the field of metal-free carbon electrocatalysis are also discussed to provide forward-looking opportunities for their potential applications in various catalytic processes of practical significance.

关键词： carbon-based metal-free electrocatalysts intrinsic regulation structural design optimized composition newly developed application

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Efficient Electromagnetic Wave Absorption and Thermal Infrared Stealth in PVTMS@MWCNT Nano‑Aerogel via Abundant Nano‑Sized Cavities and Attenuation Interfaces

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Nano-Micro Letters 2024年第1期16卷 370-383页

作者： Haoyu Ma Maryam Fashandi Zeineb Ben Rejeb Xin Ming Yingjun Liu Pengjian Gong Guangxian Li Chul B.Park College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan University24 Yihuan RoadNanyiduanChengdu 610065SichuanPeople’s Republic of China Microcellular Plastics Manufacturing Laboratory Department of Mechanical and Industrial EngineeringUniversity of Toronto5 King’s College RoadTorontoON M5S 3G8Canada Jiangsu JITRI Advanced Polymer Materials Research Institute Tengfei Building88 Jiangmiao RoadJiangbei New DistrictNanjing 211800JiangsuPeople’s Republic of China MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and EngineeringInternational Research Center for X PolymersZhejiang University38 Zheda RoadHangzhou 310027People’s Republic of China

Pre-polymerized vinyl trimethoxy silane(PVTMS)@MWCNT nano-aerogel system was constructed via radical polymerization,sol-gel transition and supercritical CO_(2)*** fabricated organic-inorganic hybrid PVTMS@MWCNT aerogel structure shows nano-pore size(30-40 nm),high specific surface area(559 m^(2)g^(−1)),high void fraction(91.7%)and enhanced mechanical property:(1)the nano-pore size is beneficial for efficiently blocking thermal conduction and thermal convection via Knudsen effect(beneficial for infrared(IR)stealth);(2)the heterogeneous interface was beneficial for IR reflection(beneficial for IR stealth)and MWCNT polarization loss(beneficial for electromagnetic wave(EMW)attenuation);(3)the high void fraction was beneficial for enhancing thermal insulation(beneficial for IR stealth)and EMW impedance match(beneficial for EMW attenuation).Guided by the above theoretical design strategy,PVTMS@MWCNT nano-aerogel shows superior EMW absorption property(cover all Ku-band)and thermal IR stealth property(ΔT reached 60.7℃).Followed by a facial combination of the above nano-aerogel with graphene film of high electrical conductivity,an extremely high electromagnetic interference shielding material(66.5 dB,2.06 mm thickness)with superior absorption performance of an average absorption-to-reflection(A/R)coefficient ratio of 25.4 and a low reflection bandwidth of 4.1 GHz(A/R ratio more than 10)was experimentally obtained in this work.

关键词： Nano-pore size Heterogeneous interface Electromagnetic wave absorption Thermal infrared stealth Nano-aerogel

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Design and development of an integrated enset processing machine suitable for central highland farmers of west shewa zone Ethiopia

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Discover Agriculture 2025年第1期3卷 1-26页

作者： Jima, Beka Adugna Kolhe, Kishor Purushottam Jiru, Moera Gutu Agricultural Machinery Engineering Program Department of Mechanical Engineering School of Mechanical Chemical and Materials Engineering at Adama Science and Technology University Adama Ethiopia Department of Mechanical Engineering School of Mechanical Chemical and Materials Engineering at Adama Science and Technology University Adama Ethiopia

The development of Integrated Enset processing technology is significant for the easy availability of stable food in the current condition for fulfilling the pangs of hunger in Ethiopia, currently; individual manual technologies such as decortication, corm granting, bulla extraction, and fermenting techniques eventually contribute to utilizing food security such as Kocho, which is not affordable for the marginal farmers of Ethiopia. However, there is a lack of integrated compromise of the all-function process of corm granting, decortication, and pulverization in one machine wholesome of the product such as Kocho, and bulla within consuming time and labor. Therefore, it is decided to design and develop an integrated enset processing machine for central high land of Ethiopian farmers with high-quality production. The physical and mechanical properties of the enset is studied to get an efficient and robust design of the various components. The overall design and development of proposed machine components were carried out at Adama science and Technology University, Ethiopia by using ANSYS 2023 R1 software by considering the engineering economics and material specifications as per ASTM standards. The process parameters of the proposed machine are identified as feed rate, drum speed, concave to drum clearance, power requirement, etc. Also, the enset characteristics were considered as decorticating and granting, fiber cutting resistance, fiber length, dimension, shape, and weight. The overall developed enset integrated machine assembles are analyzed for granting and decorticating with drum clearance and bulla extraction throughput capacity, reliability, simplicity, safety, and overall cost. The machine's safety from a Design Perspective is checked and validated by a simulation study on the critical parts subjected to higher stresses. The cost of available individual decorticators, granting, pulverized, and bulla squeezer machines is costly to the farmer’s community. Theref

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Fjord-Type AIEgens Based on Inherent Through-Space Conjugation

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CCS Chemistry 2024年第7期6卷 1739-1747页

作者： Ye-Qiang Han Yuan Xie Jianyu Zhang Shiyu Tan Haoke Zhang Ben Zhong Tang Jonathan L.Sessler Feihe Huang Stoddart Institute of Molecular Science Department of ChemistryZhejiang UniversityHangzhou 310058 Zhejiang-Israel Joint Laboratory of Self-Assembling Functional Materials ZJU-Hangzhou Global Scientific and Technological Innovation CenterZhejiang UniversityHangzhou 311215 MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and EngineeringZhejiang UniversityHangzhou 310058 Center for AIE Research College of Materials Science and EngineeringShenzhen UniversityShenzhen 518061 Department of Chemistry Hong Kong Branch of Chinese National Engineering Research Center for Tissue Restoration and ReconstructionThe Hong Kong University of Science and TechnologyKowloonHong Kong 999077 School of Science and Engineering Shenzhen Institute of Aggregate Science and TechnologyThe Chinese University of Hong KongShenzhen(CUHK-Shenzhen)Guangzhou 518172 Department of Chemistry The University of Texas at AustinAustinTexas 78712-1224 Green Catalysis Center and College of Chemistry Zhengzhou UniversityZhengzhou 450001

Through-space conjugation(TSC)is a noncovalently electronic interaction that is emerging as a potential complement to through-bond conjugation(TBC)-based strategies for constructing luminescent ***,the design of efficient luminogens based on TSC is currently challenging due to a lack of established structure-property *** is particularly true in the case of luminogens displaying aggregation-induced emission(AIE)*** this work,three terphenyl derivatives were prepared,and their photophysical properties were systemically *** was found that relative to the corresponding m-and p-linked analogues,the electronic interaction of TBC is weakened while the strength of TSC is commensurately enhanced in the constitutional isomer containing an o-linked fjordtype *** this set of luminogens,the presence of a fjord-type arrangement promotes a transformation from aggregation-caused quenching to *** investigations involving congeneric quaterphenyl and pentphenyl isomers support the universality of the fjord-type unit as a framework for synthesizing AIE-active luminogens(AIEgens)with inherent *** work not only provides a novel set of AIEgens but also establishes the utility of TSC in controlling the photophysical properties of nonconventional and twisted luminogens.

关键词： fjord-type through-space conjugation through-bond conjugation aggregation-induced emission luminescence twisted conformation

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Intelligent Textiles for Visual and Smart Interaction

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Advanced Fiber materials 2024年第4期6卷 946-948页

作者： Yuanyuan Zheng Zhigang Chen Huisheng Peng State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceInstitute of Fiber Materials and Devicesand Laboratory of Advanced MaterialsFudan UniversityShanghai 200438China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringDonghua UniversityShanghai 201620China

The fiberization and integration of electronic devices into textiles represent an important strategy to design wearable and comfortable intelligent ***,the function realization of existing intelligent textiles often depends on complex and rigid silicon-based computation components,which have posed significant challenges in terms of integration,energy consumption and user *** has spurred the need for a paradigm shift towards more seamless and efficient *** advent of chipless interactive textile electronics presents a promising pathway for overcoming these challenges and unlocking new possibilities in wearable technology.

关键词： Intelligent textile Visual interaction Chipless fibre Fibre electronics

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