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From Static and Dynamic Perspectives:A Survey on Historical Data Benchmarks of control Performance Monitoring

IEEE/CAA Journal of Automatica Sinica 2025年第2期12卷 300-316页

作者： Pengyu Song Jie Wang Chunhui Zhao Biao Huang the State Key Laboratory of Industrial Control Technology College of Control Science and Engineering Zhejiang University IEEE the Department of Chemical and Materials Engineering University of Alberta

In recent decades, control performance monitoring(CPM) has experienced remarkable progress in research and industrial applications. While CPM research has been investigated using various benchmarks, the historical data benchmark(HIS) has garnered the most attention due to its practicality and effectiveness. However, existing CPM reviews usually focus on the theoretical benchmark, and there is a lack of an in-depth review that thoroughly explores HIS-based methods. In this article, a comprehensive overview of HIS-based CPM is provided. First, we provide a novel static-dynamic perspective on data-level manifestations of control performance underlying typical controller capacities including regulation and servo: static and dynamic properties. The static property portrays time-independent variability in system output, and the dynamic property describes temporal behavior driven by closed-loop feedback. Accordingly,existing HIS-based CPM approaches and their intrinsic motivations are classified and analyzed from these two ***, two mainstream solutions for CPM methods are summarized, including static analysis and dynamic analysis,which match data-driven techniques with actual controlling behavior. Furthermore, this paper also points out various opportunities and challenges faced in CPM for modern industry and provides promising directions in the context of artificial intelligence for inspiring future research.

关键词： control performance monitoring (CPM) data-driven method historical data benchmark (HIS) industrial process performance index static and dynamic analysis

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Developing deep learning-based large-scale organic reaction classification model via sigma-profiles

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Green chemical engineering 2025年第2期6卷 181-192页

作者： Wenlong Wang Chenyang Xu Jian Du Lei Zhang State Key Laboratory of Fine Chemical Frontiers Science Center for Smart Materials Oriented Chemical EngineeringInstitute of Chemical Process Systems EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian116024China Department of Chemical and Biomolecular Engineering National University of SingaporeSingapore117585Singapore

Advanced technologies like deep learning have accelerated the discovery of novel chemical reactions,especially in the field of organic *** hundreds of thousands of reactions available for reference,one way to effectively leverage them is by classifying chemical reactions into different clusters based on their specific characteristics,which makes target-guided navigation in the vast chemical space *** previous attempts that apply deep learning to reaction classification tasks have made substantial progress,developing a model with good interpretability as well as high accuracy for large-scale reaction classification tasks remains an open *** this work,a deep learning-based model for a large-scale reaction classification task is first constructed by utilizing pre-trained BERT and ***,the model is trained under the open-source dataset USPTO_TPL which contains recorded reactions of up to 1000 different *** multi-classification accuracy of the model on the testing dataset is 99.382%,showing its great potential for practical ***,a reaction similarity map is presented to correlate the reactions in the USPTO_TPL dataset based on their sigmaprofile-based statistical ***,representative reactions from the testing dataset are provided to illustrate the model's effectiveness on the reaction classification task.

关键词： Reaction classification Reaction fingerprint Sigma-profiles Deep learning

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An epitaxial surface heterostructure anchoring approach for high-performance Ni-rich layered cathodes

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Journal of Energy Chemistry 2025年第6期105卷 158-169页

作者： Weili Sun Qingqing Zhang Xiao-Guang Sun Cheng Li Yongsheng Huang Wenyu Mu Junbin Tan Jianlin Li Kai Liu Shijian Zheng Sheng Dai Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology School of Materials Science and Engineering Hebei University of Technology Chemical Sciences Division Oak Ridge National Laboratory Neutron Scattering Division Oak Ridge National Laboratory Applied Materials Division Argonne National Laboratory School of Materials Science and Engineering Tianjin University of Technology Department of Chemistry University of Tennessee

Nickel-rich（Ni≥90%） layered oxides materials have emerged as a promising candidate for nextgeneration high-energy-density lithium-ion batteries（LIBs）.However,their widespread application is hindered by structural fatigue and lattice oxygen *** this work,an epitaxial surface rock-salt nanolayer is successfully developed on the LiNi0.9Co0.1O2sub-surface via heteroatom anchoring utilizing high-valence element molybdenum *** in-situ formed conformal buffer phase with a thickness of 1.2 nm effectively suppresses the continuous interphase side-reactions,and thus maintains the excellent structure integrity at high ***,theoretical calculations indicate that the lattice oxygen reversibility in the anion framework of the optimized sample is obviously enhanced due to the higher content of O 2p states near the Fermi level than that of the pristine ***,the stronger Mo-O bond further reduces cell volume alteration,which improves the bulk structure stability of modified ***,the detailed charge compensation mechanism suggests that the average oxidation state of Ni is reduced,which induces more active Li+participating in the redox reactions,boosting the cell energy *** a result,the uniquely designed cathode materials exhibit an extraordinary discharge capacity of 245.4 mAh g-1at 0.1 C,remarkable rate performance of 169.3 mAh g-1at 10 C at4.5 V,and a high capacity retention of 70.5% after 1000 cycles in full cells at a high cut-off voltage of 4.4 *** strategy provides an valuable insight into constructing distinctive heterostructure on highperformance Ni-rich layered cathodes for LIBs.

关键词： Heteroatom anchoring Lattice oxygen reversibility Lithium-ion batteries Ni-rich layered oxides Rock-salt nanolayer

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Machine learning driven rational design of dual atom catalysts on graphene for carbon dioxide electroreduction

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Nano Research 2025年第1期18卷 186-194页

作者： Dongxu Jiao Xinyi Li Mingzi Sun Lin Liu Jinchang Fan Jingxiang Zhao Bolong Huang Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and Engineeringand Key Laboratory of Automobile Materials of MOEJilin UniversityChangchun 130012China Department of Applied Biology and Chemical Technology The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina College of Chemistry and Chemical Engineering and Key Laboratory of Photonic and Electronic Bandgap MaterialsMinistry of EducationHarbin Normal UniversityHarbin 150025China

The development of high-performance atomiccatalysts for the carbon dioxide reduction reaction(CO_(2)RR)is atime-consuming process due to the complexity of the reactionmechanism and the uncertainty of the active ***,wehave proposed combining density functional theory(DFT)andmachine learning(ML)to investigate the potential of topologicalgraphene-based dual-atom catalysts(DACs)as CO_(2)*** analyzing the ML results,we identify thenumber of d-orbital electrons in the active site as a key factorinfluencing the CO_(2)RR catalytic ***,wepropose a simple descriptor to measure the CO_(2)RR activity ofthese *** findings provide plausible explanations for thesynergistic interactions between bimetallic atoms in CO_(2)RR andallow us to screen the homogeneous Ni-Ni pair as the mostpromising dual-atom *** work offers a fast MLapproach based on limited DFT calculations to predict the mostelectroactive and stable DACs on carbon support for CO_(2)RR,facilitating rapid screening of high-performance dual-atomcatalysts.

关键词： CO_(2)reaction reduction dual-atom catalysts density functional theory machine learning

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Hydrogen-assisted toughness reduction of a 42CrMo4 steel assessed by single edge notched tension tests

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International Journal of Hydrogen Energy 2025年 136卷 651-662页

作者： Cauwels, Margo Depraetere, Robin De Waele, Wim Hertelé, Stijn Verbeken, Kim Depover, Tom Ghent University Department of Materials Textiles and Chemical Engineering Sustainable Materials Science Technologiepark 46 Zwijnaarde9052 Belgium Ghent University Department of Electromechanical Systems and Metal Engineering Soete Laboratory Technologiepark 46 Zwijnaarde9052 Belgium

This paper aims to investigate the hydrogen-assisted toughness reduction of a quenched and tempered 42CrMo4 steel by single edge notched tension fracture toughness tests. Two different hydrogen concentrations were tested and both ex-situ and in-situ tests were performed. For both ex-situ and in-situ charging, hydrogen mostly influenced the crack initiation stage, expressed as a shift from ductile dimples to quasi-cleavage fracture. Crack blunting was reduced by hydrogen charging and seemingly disappeared for the most severe test condition. In-situ hydrogen charging promoted branching of the crack, especially at the higher hydrogen concentration. Some quasi-cleavage linked to inclusions was observed in the stable crack growth region on the fracture surface. Cross-sections of fractured specimens indicated increased void formation below the fracture surface with increasing hydrogen concentration as a preliminary finding. © 2024 Hydrogen Energy Publications LLC

关键词： Ductile fracture

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Understanding the Thermal Impedance of Silicone Rubber/Hexagonal Boron Nitride Composites as Thermal Interface materials

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Chinese Journal of Polymer Science 2024年第3期42卷 352-363,I0008页

作者： Yuan Ji Shi-Da Han Hong Wu Shao-Yun Guo Feng-Shun Zhang Jian-Hui Qiu The State Key Laboratory of Polymer Materials Engineering Sichuan Provincial Engineering Laboratory of Plastic/Rubber Complex Processing TechnologyPolymer Research InstituteSichuan UniversityChengdu 610065China Institute of Chemical Materials China Academy of Engineering PhysicsMianyang 621900China Department of Mechanical Engineering Faculty of Systems Science and TechnologyAkita Prefectural UniversityAkita 015-0055Japan

Silicone rubber(SR) composites are most widely used as thermal interface materials(TIMs) for electronics heat dissipation. Thermal impedance as the main bottleneck limiting the performance of TIMs is usually neglected. Herein, the thermal impedance of SR composites loaded with different levels of hexagonal boron nitride(h-BN) as TIMs was elaborated for the first time by the ASTM D 5470 standard test and finite element analysis. It was found that elastic modulus and surface roughness of SR composites increased with the increase of h-BN content, indicating that the conformity was reduced. When the assembly pressure was 0.69 MPa, there existed an optimal h-BN content at which the contact resistance was minimum(0.39 K·cm^(2)·W^(-1)). Although the decreased bond line thickness(BLT) by increasing the assembly pressure was beneficial to reduce the thermal impedance, the proper assembly pressure should be selected to prevent the warpage of the contact surfaces and the increase in contact resistance, according to the compression properties of the SR composites. This study provides valuable insights into fabrication of high-performance TIMs for modern electronic device applications.

关键词： Thermal interface materials Hexagonal boron nitride Thermal impedance Surfaces

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Fully Superhydrophilic, Self-Floatable, and Multi-Contamination-Resistant Solar Steam Generator Inspired by Seaweed

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engineering 2023年第1期20卷 153-161页

作者： Chiyu Wen Hongshuang Guo Yingnan Zhu Haoyu Bai Weiqiang Zhao Xinsheng Wang Jing Yang Moyuan Cao Lei Zhang Frontier Science Center for Synthetic Biology&Key Laboratory of Systems Bioengineering(Ministry of Education) Department of Biochemical EngineeringSchool of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Haihe Laboratory of Sustainable Chemical Transformations School of Materials Science and EngineeringNankai UniversityTianjin 300071China State Key Laboratory of Chemical Engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China

Highly hydrophilic materials enable rapid water delivery and salt redissolution in solar-driven seawater desalination. However, the lack of independent floatability inhibits heat localization at the air/water interface. In nature, seaweeds with internal gas microvesicles can float near the sea surface to ensure photosynthesis. Here, we have developed a seaweed-inspired, independently floatable, but superhydrophilic (SIFS) solar evaporator. It needs no extra floatation support and can simultaneously achieve continuous water pumping and heat concentration. The evaporator resists salt accumulation, oil pollution, microbial corrosion, and protein adsorption. Densely packed hollow glass microbeads promote intrinsic floatability and heat insulation. Superhydrophilic zwitterionic sulfobetaine hydrogel provides a continuous water supply, redissolves the deposited salt, and endows the SIFS evaporator with excellent anti-fouling properties. With its unprecedented anti-contamination ability, this SIFS evaporator is expected to open a new avenue for designing floatable superhydrophilic materials and solving real-world issues of solar steam generation in complex environmental conditions.

关键词： Superhydrophilic device Bioinspiration Independent floatability Multi-contaminati on resi stance Solar evaporation

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Origin of superlubricity of diamond-like carbon(DLC)

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Friction 2025年第1期13卷 85-99页

作者： Seokhoon Jang Zhe Chen Seong H.Kim Department of Chemical Engineering and Materials Research Institute Pennsylvania State UniversityUniversity ParkPA 16802USA State Key Laboratory of Fluid Power and Mechatronic Systems Zhejiang UniversityHangzhou 310058China

Hydrogenated diamond-like carbon(H-DLC)is typically produced as a coating or thin film through plasma-enhanced chemical vapor deposition(PE-CVD).H-DLC is relatively hard and well known to exhibit *** superlubricity an intrinsic property of H-DLC?This paper argues that H-DLC is not intrinsically superlubricious,but it has an ideal structure that allows transition of the interface region to a superlubricious structure upon frictional shear in proper ***,its superlubricity is an extrinsic *** argument is made by comparing frictional behaviors of three allotropes of carbon materials—graphite,amorphous carbon(a-C),and diamond,and carefully scrutinizing the run-in behavior as well as environment sensitivity of H-DLC *** superlubricious structure is generally known to be graphitic,but its exact structure remains elusive and is subject to further ***,accurate knowledge of how superlubricity is induced for H-DLC can guide engineering design to achieve superlubricious behaviors with other carbon materials produced via different synthetic routes.

关键词： superlubricity diamond-like carbon(DLC) run-in environmental sensitivity

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Cubic S/N co-doped TiO_(2) with rich oxygen vacancies from Ti-MOFs for efficient elimination of formaldehyde

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Chinese chemical Letters 2024年第2期35卷 512-515页

作者： Qing Gao Lei Sun Zhihua Wang Jiguang Deng State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing 100029China Beijing Key Laboratory for Green Catalysis and Separation Key Laboratory of Beijing on Regional Air Pollution ControlKey Laboratory of Advanced Functional MaterialsEducation Ministry of ChinaDepartment of Chemical EngineeringBeijing University of TechnologyBeijing 100124China

The cubic S/N co-doped TiO_(2)(TNSx,x is the calcination temperature)photocatalysts with rich oxygen vacancies were obtained by high temperature calcination of sulfur powder and titanium-based MOFs NH_(2)-MIL-125 for the photocatalytic removal of gaseous formaldehyde(a volatile organic compound).Among the obtained catalysts,the presence of oxygen vacancies restricted photogenerated electron and holes recombination.98.00%removal of gaseous formaldehyde in 150 min could be achieved over TNS600 by xenon *** removal efficiency for formaldehyde was well retained for five cycle *** results from PL,TRPL and EIS revealed that TNS600 had the best separation efficiency of photogenerated electrons and holes,and the enhanced charge separation led to a significant increase in photocatalytic *** photocatalytic oxidation mechanism indicated that the ^(•)OH and ^(•)O_(2)−radicals were mainly involved in the efficient elimination of gaseous formaldehyde and were able to mineralize formaldehyde to H_(2)O and CO_(2).

关键词： Metal-organic frameworks Photocatalysis Formaldehyde removal S/N co-doped TiO_(2) Oxygen vacancies

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In-situ forming ultra-mechanically sensitive materials for high-sensitivity stretchable fiber strain sensors

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National Science Review 2024年第6期11卷 254-263页

作者： Rouhui Yu Changxian Wang Xiangheng Du Xiaowen Bai Yongzhong Tong Huifang Chen Xuemei Sun Jing Yang Naoji Matsuhisa Huisheng Peng Meifang Zhu Shaowu Pan State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and Engineering Donghua University MOE Key Lab of Disaster Forecast and Control in Engineering School of Mechanics and Construction Engineering Jinan University State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular Science and Institute of Fiber Materials and Devices Fudan University Department of Cardiology Shanghai Xuhui Central HospitalZhongshan-Xuhui Hospital Fudan University Research Center for Advanced Science and Technology and Institute of Industrial Science The University of Tokyo

Fiber electronics with flexible and weavable features can be easily integrated into textiles for wearable applications. However, due to small sizes and curved surfaces of fiber materials, it remains challenging to load robust active layers, thus hindering production of high-sensitivity fiber strain sensors. Herein, functional sensing materials are firmly anchored on the fiber surface in-situ through a hydrolytic condensation *** anchoring sensing layer with robust interfacial adhesion is ultra-mechanically sensitive, which significantly improves the sensitivity of strain sensors due to the easy generation of microcracks during stretching. The resulting stretchable fiber sensors simultaneously possess an ultra-low strain detection limit of 0.05%, a high stretchability of 100%, and a high gauge factor of 433.6, giving 254-folds enhancement in sensitivity. Additionally, these fiber sensors are soft and lightweight, enabling them to be attached onto skin or woven into clothes for recording physiological signals, e.g. pulse wave velocity has been effectively obtained by them. As a demonstration, a fiber sensor-based wearable smart healthcare system is designed to monitor and transmit health status for timely intervention. This work presents an effective strategy for developing high-performance fiber strain sensors as well as other stretchable electronic devices.

关键词： fiber strain sensor stretchable wearable healthcare

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