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方法论视角下重大工程决策研究

铁道工程学报 2019年第5期36卷 97-101页

作者：丰静王孟钧牛丰中南大学长沙410075 中国铁路总公司北京100844

研究目的:从方法论视角来审视重大工程决策,有助于理解决策中主观价值寻求和客观对象认知之间辩证统一的逻辑,为探寻决策路径提供支撑。本文以青藏铁路工程为例,从价值、认知和过程三个维度对单一案例纵贯发展变化展开深度解析,围绕价... 详细信息

研究目的:从方法论视角来审视重大工程决策,有助于理解决策中主观价值寻求和客观对象认知之间辩证统一的逻辑,为探寻决策路径提供支撑。本文以青藏铁路工程为例,从价值、认知和过程三个维度对单一案例纵贯发展变化展开深度解析,围绕价值与认知之间的复杂关系以及两者互动推动决策活动的过程展开论述,从横、纵两个方面归纳重大工程决策路径。研究结论:(1)横向上,重大工程决策是决策主体在价值寻求与客观认知匹配下形成的工程概念;(2)纵向上,重大工程决策过程是具有能动性的决策主体在价值与认知的匹配过程中对工程理念的具化;(3)整合横纵两个方向,构建重大工程决策框架模型;(4)本研究成果对理解重大工程决策路径和深化决策机制研究具有一定借鉴作用。

关键词：重大工程决策价值路径

Stereoselective recognition of morphine enantiomers by μ-opioid receptor

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National Science Review 2024年第3期11卷 183-191页

作者： Yibo wang Van A.Ngo Xiaohui wang Laboratory of Chemical Biology Changchun Institute of Applied ChemistryChinese Academy of Sciences Advanced Computing for Life Sciences and Engineering Group Science Engagement Section National Center for Computational Sciences Oak Ridge National Lab School of Applied Chemistry and Engineering University of Science and Technology of China Beijing National Laboratory for Molecular Sciences

Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor（MOR） exhibits binding affinity towards（-）-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the（+）-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of（-）-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast,（+）-morphine fails to sustain the activation state of ***, the results suggest that specific residues, namely D1142.50and D1473.32, are deprotonated in the active state of MOR bound to（-）-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.

关键词： stereoselective recognition thermodynamics and kinetics residence time morphine enantiomers μ-opioid receptor

Adaptive Optimal Discrete-Time Output-Feedback Using an Internal Model Principle and Adaptive Dynamic Programming

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IEEE/CAA Journal of Automatica Sinica 2024年第1期11卷 131-140页

作者： Zhongyang wang Youqing wang Zdzisław Kowalczuk the College of Information Science and Technology Beijing University of Chemical TechnologyBeijing 100029China IEEE the Department of Robotics and Decision Systems Faculty of ElectronicsTelecommunications and InformaticsGdańsk University of TechnologyGdansk 80-233Poland

In order to address the output feedback issue for linear discrete-time systems, this work suggests a brand-new adaptive dynamic programming(ADP) technique based on the internal model principle(IMP). The proposed method, termed as IMP-ADP, does not require complete state feedback-merely the measurement of input and output data. More specifically, based on the IMP, the output control problem can first be converted into a stabilization problem. We then design an observer to reproduce the full state of the system by measuring the inputs and outputs. Moreover, this technique includes both a policy iteration algorithm and a value iteration algorithm to determine the optimal feedback gain without using a dynamic system model. It is important that with this concept one does not need to solve the regulator equation. Finally, this control method was tested on an inverter system of grid-connected LCLs to demonstrate that the proposed method provides the desired performance in terms of both tracking and disturbance rejection.

关键词： Adaptive dynamic programming(ADP) internal model principle(IMP) output feedback problem policy iteration(PI) value iteration(VI)

A synergetic strategy of NIR-Ⅱ squaraine dyes with ultrahigh photothermal conversion efficiency for photothermal therapy

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Science China Chemistry 2024年第2期67卷 612-621页

作者： Yigang wang Guomin Xia Junhui wang Mingda wang Weihan Guo Manman Tan Leilei Si Yang Yang Hua wang Hongming wang Institute for Advanced Study and School of Chemistry and Chemical Engineering Nanchang UniversityNanchang330031China State Key Laboratory of Molecular Reaction Dynamics and Dynamics Research Center for Energy and Environmental Materials Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian116023China The Second Affiliated Hospital of Nanchang University Nanchang330031China

Recent research on photothermal therapy(PTT) has sparked significant interest in the development of new organic photothermal agents(PTAs),ranging from single-molecule to aggregated ***,controlling aggregation pathways for PTAs with ultrahigh photothermal conversion efficiency(PCE) remains a major ***,a two-pronged approach utilizing “Haggregation” and “intramolecular motion” was employed to enhance the PCE of an acceptor-substituted squaraine dye(NSQs).The C2vmolecular symmetry of the NSQs,which possess a ground state dipole moment(μg),promotes H-dimeric aggregates through dipole-dipole *** triphenylethylene or diphenylamine groups were added to this H-dimeric *** was done to enhance intramolecular motions for heat generation and also to extend conjugation,which redshifted the optical absorption and balanced the blue-shift induced by *** this technique,an organic PTA with NIR-II absorption was developed,and its nanoparticle achieved a remarkable PCE of 86.3% under 1,064 nm laser *** transient absorption spectroscopy and quantum mechanical calculations demonstrated the accelerated internal conversion process in NIR-II PTAs for rapid heat *** NSQs nanoparticles exhibit superior photothermal therapeutic properties for in vivo photoacoustic imaging-guided PTT,demonstrating the potential of bottom-up design to enable synergistic engineering strategies towards efficient phototheranostic agents.

关键词： squaraine dyes second near-infrared window H-aggregation intramolecular motion photothermal therapy

Encoding innumerable charge density waves of FeGe into polymorphs of LiFe_(6)Ge_(6)

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Science China(Physics,Mechanics & Astronomy) 2024年第9期67卷 126-132页

作者： Yilin wang School of Emerging Technology University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China New Cornerstone Science Laboratory University of Science and Technology of ChinaHefei 230026China

Kagome metals exhibit rich quantum states by the intertwining of lattice,charge,orbital and spin degrees of ***,a novel charge density wave(CDW)ground state was discovered in kagome magnet FeGe and was revealed to be driven by lowering magnetic energy via large ***,based on DFTcalculations,we show that such mechanism will yield infinitely many metastable CDWs in FeGe due to different ways to arrange the Ge1-dimerization in enlarged ***,utilizing these metastable CDWs,innumerable polymorphs of kagome magnet LiFe_(6)Ge_(6) can be stabilized by filling Li atoms in the voids right above/below the dimerized Ge1-sites in the CDW *** polymorphs are very stable due to the presence of magnetic-energy-saving mechanism,in sharp contrast to the non-magnetic“166”kagome *** this way,a one-to-one mapping of the metastable CDWs of FeGe to stable polymorphs of LiFe_(6)Ge_(6) is *** one hand,the fingerprints of these metastable CDWs,i.e.,the induced in-plane atomic distortions and band gaps,are encoded into the corresponding stable polymorphs of LiFe_(6)Ge_(6),such that further study of their properties becomes *** the other hand,such innumerable polymorphs of LiFe_(6)Ge_(6) offer great degrees of freedom to explore the rich physics of magnetic kagome *** thus reveal a novel connection between the unusually abundant CDWs and structural polymorphism in magnetic kagome materials,and establish a new route to obtain structural polymorphism on top of CDW states.

关键词： kagome magnet unconventional charge density wave structural polymorphism magnetic energy saving

Time-sensitive prediction of NO_(2) concentration in China using an ensemble machine learning model from multi-source data

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Journal of Environmental Sciences 2024年第3期137卷 30-40页

作者： Chenliang Tao Man Jia Guoqiang wang Yuqiang Zhang Qingzhu Zhang Xianfeng wang Qiao wang Wenxing wang Big Data Research Center for Ecology and Environment Environment Research InstituteShandong UniversityQingdao 266237China Shandong Provincial Eco-environment Monitoring Center Jinan 250101China

Nitrogen dioxide(NO_(2))poses a critical potential risk to environmental quality and public health.A reliable machine learning(ML)forecasting framework will be useful to provide valuable information to support government *** on the data from1609 air quality monitors across China from 2014-2020,this study designed an ensemble ML model by integrating multiple types of spatial-temporal variables and three sub-models for time-sensitive prediction over a wide *** ensemble ML model incorporates a residual connection to the gated recurrent unit(GRU)network and adopts the advantage of Transformer,extreme gradient boosting(XGBoost)and GRU with residual connection network,resulting in a 4.1%±1.0%lower root mean square error over XGBoost for the test *** ensemble model shows great prediction performance,with coefficient of determination of 0.91,0.86,and 0.77 for 1-hr,3-hr,and 24-hr averages for the test results,*** particular,this model has achieved excellent performance with low spatial uncertainty in Central,East,and North China,the major site-dense *** the interpretability analysis based on the Shapley value for different temporal resolutions,we found that the contribution of atmospheric chemical processes is more important for hourly predictions compared with the daily scale predictions,while the impact of meteorological conditions would be ever-prominent for the *** with existing models for different spatiotemporal scales,the present model can be implemented at any air quality monitoring station across China to facilitate achieving rapid and dependable forecast of NO_(2),which will help developing effective control policies.

关键词： Air quality prediction Deep learning Ensemble method Nitrogen dioxide Spatiotemporal covariates

Effect of Operation Parameters on the Thermal Characteristics in a Planar Solid Oxide Fuel Cell

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Journal of Thermal Science 2024年第5期33卷 1974-1989页

作者： wang Mingyuan wang Ke wang Yongqing CHEN Jiangshuai AN Bo TU Shantung School of Mechanics and Safety Engineering Zhengzhou UniversityZhengzhou 450001China Key Laboratory of Process Heat Transfer and Energy Saving of Henan Province Zhengzhou UniversityZhengzhou 450002China School of Mechanical and Power Engineering Zhengzhou UniversityZhengzhou 450001China Key Laboratory of Pressure Systems and Safety(MOE) East China University of Science&TechnologyShanghai 200237China

Effective operation strategies in the solid oxide fuel cell(SOFC)can adjust the spatial distribution of temperature gradient favoring the long-term *** investigate the effects of different operating conditions on the thermal behavior inside SOFC,a three-dimensional model is developed in this *** model is verified by comparing it with the experimental *** heat generation rate and its variation under different operating conditions are *** combined effects of operating voltage and gas temperature are considered to be the key factor influencing the temperature *** to the original case,the temperature of SOFC decreases by 21.4 K when the fuel velocity reaches 5 m/*** the maximum temperature gradient increases by21.2%.Meanwhile,higher fuel velocities can eliminate about 32%of the area with higher temperature *** when the oxidant velocity reaches 7.5 m/s,the peak temperature gradient effectively decreases by 16.59%.Simultaneous adjustment of the oxidant and fuel velocities can effectively reduce the peak temperature gradient and increase the safety *** effects of operation conditions on the temperature gradient of the cell are clarified in this study,which can be a reference for further research on the reliability of SOFCs.

关键词： SOFC heat generation temperature gradient distribution heat source thermal behavior

Extending the detection limit:innovations in infrared quantum dot photodetectors reaching up to 18μm

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Light(Science & Applications) 2024年第8期13卷 1445-1447页

作者： Chong Wu wang Qi Jie wang Centre for OptoElectronics and Biophotonics School of Electrical and Electronic EngineeringNanyang Technological UniversitySingapore 639798Singapore Centre for Disruptive Photonic Technologies School of Physical and Mathematical SciencesNanyang Technological UniversitySingaporeSingapore

A regrowth method was used to synthesize large-sized colloidal quantum dots(CQDs).With the assistance of doping engineering,the synthesized CQD detectors demonstrate exceptional long-wavelength infrared detection performance,reaching up to 18μm,significantly extending the spectral response limit for CQD-based infrared *** detectors also achieve a reasonably high detectivity of 6.6×10^(8)Jones.

关键词： limit quantum sized

Recent advances in solving Li_(2)CO_(3) problems in garnet-based solid-state battery: A systematic review(2020-2023)

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Journal of Energy Chemistry 2024年第3期90卷 58-76,I0004页

作者： Shaoxiong Han Ziqi wang Yue Ma Yanlan Zhang Yongzhen wang Xiaomin wang College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024ShanxiChina Shanxi Joint Laboratory of Coal based Solid Waste Resource Utilization and Green Ecological Development Taiyuan 030024ShanxiChina

Garnet solid electrolytes are one of the most promising electrolytes for solid-state ***,Li_(2)CO_(3) is a critical issue that hinders the practical application of garnet-based solid-state lithium-ion *** are two sources of Li_(2)CO_(3) *** main one is the aging of garnet electrolytes in the *** electrolytes can react with H_(2)O and CO_(2) in the air to form Li_(2)CO_(3),which reduces ion conductivity,increases electrode/garnet electrolyte interface resistance,and deteriorates the electrochemical performance of the *** strategies,such as elemental doping,grain boundary manipulation,and interface engineering,have been suggested to address these *** other is the passivation layer(Li_(2)CO_(3),Li_3N,LiOH,Li_(2)O) formed on the surface of the lithium foil after long-term storage,which is ignored by most *** better understand the current strategies and future trends to address the Li_(2)CO_(3) problem,this perspective provides a systematic review of journals published in this field from 2020-2023.

关键词： Solid-state batteries Garnet electrolytes Air stability Interface engineering Lithium foil contamination