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Engineering a high-barrier d-f single-molecule magnet centered with hexagonal bipyramidal Dy(Ⅲ)unit

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Science China Chemistry 2024年第10期67卷 3291-3298页

作者： Wei Deng Chan-Ying yao Yan-Cong Chen Ying-Qian Zhou Shan-Nan Du Jun-liang Liu ming-liang Tong Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education School of ChemistryInstitute of Green Chemistry and Molecular EngineeringGuangdong Basic Research Center of Excellence for Functional Molecular EngineeringSun Yat-sen UniversityGuangzhou 510006China

In the pursuit of high-performance single-molecule magnets(SMMs),incorporating intramolecular magnetic coupling emerges as a pivotal *** these,d-f SMMs have garnered significant attention due to their remarkable versatility,which lies in their ability to tune coordination environments and facilely substitute metal ***,achieving performance-centric d-f SMMs through the synergistic interplay between highly anisotropic f ions and d-f magnetic interactions remains a formidable *** mononuclear hexagonal bipyramidal(D_(6h))Dy^(Ⅲ)SMMs have been successfully isolated,the exploration of d-f SMMs featuring D_(6h)-lanthanide metal centers remains uncharted *** this study,we employed planar bipodal ligands in conjunction with“staple-like”axial phenoxide ligands to synthesize the first hexagonal bipyramidal d-f ***,this compound exhibits alternating-current magnetic susceptibilities peaking up to 68 K with an energy barrier surpassing 1,200 K,thus establishing a new benchmark within the heterometallic d-f SMM landscape inclusive of complexes with diamagnetic d metals and paramagnetic f ***,the ferromagnetic interaction at the d-f sites engenders oscillating relaxation times contingent on the magnetic field—a characteristic distinct from mononuclear *** findings shed light on a deliberate design approach for d-f SMMs,emphasizing the cooperative utilization of high-barrier lanthanide modules alongside d ions through magnetic *** synergy significantly enhances and diversifies the magnetic dynamics of these intriguing molecular systems.

关键词： single-molecule magnets magnetic coupling crystal engineering hexagonal bipyramid energy barrier

Reinforcement learning based adaptive control for uncertain mechanical systems with asymptotic tracking

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Defence Technology（防务技术） 2024年第4期34卷 19-28页

作者： Xiang-long liang Zhi-kai yao yao-wen Ge Jian-yong yao School of Mechanical Engineering Nanjing University of Science and TechnologyNanjing210094China College of Automation&College of Artificial Intelligence Nanjing University of Post and TelecommunicationNanjing210023China

This paper mainly focuses on the development of a learning-based controller for a class of uncertain mechanical systems modeled by the Euler-Lagrange *** considered system can depict the behavior of a large class of engineering systems,such as vehicular systems,robot manipulators and *** these systems are often characterized by highly nonlinear characteristics,heavy modeling uncertainties and unknown perturbations,therefore,accurate-model-based nonlinear control approaches become *** by the challenge,a reinforcement learning(RL)adaptive control methodology based on the actor-critic framework is investigated to compensate the uncertain mechanical *** approximation inaccuracies caused by RL and the exogenous unknown disturbances are circumvented via a continuous robust integral of the sign of the error(RISE)control *** from a classical RISE control law,a tanh(·)function is utilized instead of a sign(·)function to acquire a more smooth control *** developed controller requires very little prior knowledge of the dynamic model,is robust to unknown dynamics and exogenous disturbances,and can achieve asymptotic output ***,co-simulations through ADAMS and MATLAB/Simulink on a three degrees-of-freedom(3-DOF)manipulator and experiments on a real-time electromechanical servo system are performed to verify the performance of the proposed approach.

关键词： Adaptive control Reinforcement learning Uncertain mechanical systems Asymptotic tracking

Highly Conductive Ag/pCF/MVQ Composite Rubber for Efficient Electromagnetic Interference Shielding

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Chinese Journal of Polymer Science 2024年第6期42卷 864-873页

作者： Yang Chen Xiao-ming Shao liang He Yi-Nuo Xu Qi-Yuan yao Ding Feng Wen-Cai Wang State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing100029China Key Laboratory of Beijing City for Preparation and Processing of Novel Polymer Materials Beijing University of Chemical TechnologyBeijing100029China Sino-german School of Engineering Qingdao University of Science and TechnologyQingdao266400China

In this study,flexible and highly conductive composite rubber at low filler content was successfully prepared through polydopamine-assisted electroless silver plating plus mechanical ***,carbon fibers(CF)were activated by polydopamine(PDA)to improve the surface activity by self-polymerization ***,because of the metal chelating ability of PDA,silver layer was firmly deposited on the surface of CF through a facile electroless silver plating ***,flexible silver-plated carbon fibers(Ag/pCF)silicone rubber composites prepared by mechanical *** using X-ray photoelectron spectroscopy(XPS)and X-ray diffraction(XRD),the chemical composition and crystal structure of Ag/pCF were examined,and scanning electron microscopy(SEM)was used to assess the surface morphology of the Ag/*** results showed that a uniform and dense silver layer was formed on the surface of the CF,and the conductivity of the Ag/pCF could reach 7885 S/*** was noteworthy that the composite rubber filled with only 45 phr Ag/pCF had a high electromagnetic interference shielding effectiveness(100 dB)due to the low density and high aspect ratio of Ag/*** composite rubber has excellent potential for application in the field of electromagnetic interference shielding.

关键词： Carbon fibers Polydopamine Electroless plating Silver Electromagnetic interference shielding

Dynamic interwell connectivity analysis of multi-layer waterflooding reservoirs based on an improved graph neural network

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Petroleum Science 2024年第2期21卷 1062-1080页

作者： Zhao-Qin Huang Zhao-Xu Wang Hui-Fang Hu Shi-ming Zhang Yong-Xing liang Qi Guo Jun yao School of Petroleum Engineering China University of Petroleum(East China)Qingdao266580ShandongChina Exploration and Development Research Institute Shengli OilfieldSINOPECDongying257015ShandongChina

The analysis of interwell connectivity plays an important role in the formulation of oilfield development plans and the description of residual oil distribution. In fact, sandstone reservoirs in China's onshore oilfields generally have the characteristics of thin and many layers, so multi-layer joint production is usually adopted. It remains a challenge to ensure the accuracy of splitting and dynamic connectivity in each layer of the injection-production wells with limited field data. The three-dimensional well pattern of multi-layer reservoir and the relationship between injection-production wells can be equivalent to a directional heterogeneous graph. In this paper, an improved graph neural network is proposed to construct an interacting process mimics the real interwell flow regularity. In detail, this method is used to split injection and production rates by combining permeability, porosity and effective thickness, and to invert the dynamic connectivity in each layer of the injection-production wells by attention *** on the material balance and physical information, the overall connectivity from the injection wells,through the water injection layers to the production layers and the output of final production wells is established. Meanwhile, the change of well pattern caused by perforation, plugging and switching of wells at different times is achieved by updated graph structure in spatial and temporal ways. The effectiveness of the method is verified by a combination of reservoir numerical simulation examples and field example. The method corresponds to the actual situation of the reservoir, has wide adaptability and low cost, has good practical value, and provides a reference for adjusting the injection-production relationship of the reservoir and the development of the remaining oil.

关键词： Graph neural network Dynamic interwell connectivity Production-injection splitting Attention mechanism Multi-layer reservoir

Could the EU carbon border adjustment mechanism promote climate mitigation?An economy-wide analysis

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Advances in Climate Change Research 2024年第3期15卷 557-571页

作者： Kun ZHANG Yun-Fei yao Xiang-Yan QIAN Yu-Fei ZHANG Qiao-Mei liang Yi-ming WEI College of Economics and Management Beijing University of TechnologyBeijing 100124China Center for Energy and Environmental Policy Research Beijing Institute of TechnologyBeijing 100081China School of Management and Economics Beijing Institute of TechnologyBeijing 100081China Beijing Key Laboratory of Energy Economics and Environmental Management Beijing 100081China Sinopec Research Institute of Petroleum Engineering SinopecBeijing 100101China College of Economics and Management Nanjing Agricultural UniversityNanjing 210095China

Due to concerns about carbon leakage and sectoral competitiveness,the European Union(EU)proposed implementing the carbon border adjustment mechanism(CBAM).The effectiveness and potential negative consequences of CBAM have aroused extensive *** the perspective of the economy-wide analysis,this study uses a global computable general equilibrium model to explore the rationality of CBAM from the aspects of socioeconomic impact and the effects of promoting climate ***,the potential alternative mechanism of CBAM is *** results show that CBAM can reduce the EU's gross domestic product(GDP)loss;however,the GDP loss in all other regions ***,CBAM raises household welfare losses in most regions,including the ***,although CBAM can reduce the marginal abatement cost in eight regions,it comes at the cost of greater economic ***,the economic and household welfare cost of raising emissions reduction targets in regions like the USA and Japan is substantially higher than the impact of passively accepting the CBAM;therefore,CBAM's ability to drive ambitious emission reduction initiatives may be ***,for the potential alternative mechanism,from the perspective of reducing economic cost and household welfare losses,the EU could implement domestic tax cuts in the short-term and promote global unified carbon pricing in the long-term.

关键词： Border adjustment mechanism Computable general equilibrium model Carbon price Climate policy Global carbon pricing

Magnesium-containing pellet regulating blast furnace ferrous burden interaction:softening-melting behavior and mechanism

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Journal of Iron and Steel Research International 2024年第7期31卷 1623-1635页

作者： Li-ming Ma Jian-liang Zhang yao-zu Wang Xiao-yong Ma Gui-lin Wang Zhuo Li Hui-qing Jiang Zheng-jian Liu School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China School of Intelligence Science and Technology University of Science and Technology BeijingBeijing 100083China Lingyuan Iron and Steel Group Co. Lingyuan 122500LiaoningChina

MgO participates in all stages of sintering,pelletizing,and blast furnace ironmaking,and synergistically optimizing the distribution of MgO in ferrous burden can effectively enhance the interaction within the ferrous burdens and optimize the softening-melting properties of the mixed ***-containing pellets mixed with low-MgO sinter or mixed with high-MgO sinter in the blast furnace ferrous burden structure have opposite softening-melting performance *** the structure of the ferrous burden is magnesium-containing pellets mixed with low-MgO sinter,the magnesium-containing pellets can enhance the interaction of the ferrous burden in the process of softening-melting,which can optimize the composition of the slag phase and improve the slag *** the structure of the ferrous burden is magnesium-containing pellets mixed with high-MgO sinter,the magnesium-containing pellets weaken the interaction of the ferrous burden in the process of softening-melting,increase the content of the high melting point solid-phase particles in the slag,lead to an increase in the viscosity of the slag and difficult separation of the slag and iron,and decrease the permeability of the charge ***,to ensure good permeability of the mixed burden,the following measures are suggested:optimizing the MgO distribution of the ferrous burden,reducing the MgO content of the sinter to 1.96 wt.%,increasing the MgO content of the pellets to 1.03-1.30 wt.%,controlling the MgO/Al_(2)O_(3) ratio of the mixed burden within 1.15-1.32,narrowing the position of the cohesive zone,and maintaining an S value(permeability index)of approximately 150 kPa℃.

关键词： Ironmaking Ferrous burden Softening-melting property Interaction Permeability Slag

Signifying quantum uncertainty relations by optimal observable sets and the tightest uncertainty constants

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Science China(Physics,Mechanics & Astronomy) 2024年第9期67卷 43-50页

作者： Xiao-Bin liang Bo Li Shao-ming Fei School of Mathematics and Computer Science Shangrao Normal UniversityShangrao 334001China Quantum Information Research Center Shangrao Normal UniversityShangrao 334001China School of Mathematical Sciences Capital Normal UniversityBeijing 100048China

Quantum uncertainty relations constrain the precision of measurements across multiple non-commuting quantum mechanical ***,we introduce the concept of optimal observable sets and define the tightest uncertainty constants to accurately describe these measurement *** any quantum state,we establish optimal sets of three observables for both product and summation forms of uncertainty relations,and analytically derive the corresponding tightest uncertainty *** demonstrate that the optimality of these sets remains consistent regardless of the uncertainty relation ***,the existence of the tightest constants excludes the validity of standard real quantum mechanics,underscoring the essential role of complex numbers in this ***,our findings resolve the conjecture posed in[***.118,180402(2017)],offering novel insights and potential applications in understanding preparation uncertainties.

关键词： uncertainty relation the tightest uncertainty constants optimal observable sets

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Skin Microbiota and the Skin Barrier

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International Journal of Dermatology and Venereology 2024年第1期7卷 18-26页

作者： ming-Yang Wu Xu yao Department of Allergy and Rheumatology Jiangsu Key Laboratory of Molecular Biology for Skin Diseases and STIsHospital for Skin Diseases(Institute of Dermatology)Chinese Academy of Medical Sciences and Peking Union Medical CollegeNanjingJiangsu 210042China Jiangsu Key Laboratory of Molecular Biology for Skin Diseases and STIs NanjingJiangsu 210042China

The skin constitutes the primary barrier between the human body and the external *** skin microbiome plays an important role in the microecosystem on the skin surface and mediates multiple facets of the skin barrier function,including physical,chemical,microbial,and immune *** this review,we discuss the host-microbiota interactions in barrier maintenance and disruption,implications for skin disorders such as atopic dermatitis,psoriasis,and rosacea,and the latest strategies for targeting the skin microbiota to improve the skin barrier.

关键词： skin barrier microbiota immune atopic dermatitis

Complete kinetic model for esterification reaction of lauric acid with glycerol to synthesize glycerol monolaurate

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Chinese Journal of Chemical Engineering 2024年第6期70卷 211-221页

作者： Han-Qiao Hu Yue Zhang ming Fan Yong Cai Guang-Wen Chu liang-liang Zhang Research Center of the Ministry of Education for High Gravity Engineering and Technology Beijing University of Chemical TechnologyBeijing 100029China State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China Petrochemical Research Institute China National Petroleum CorporationBeijing 102206China

Glycerol monolaurate(GML)is a widely used industrial chemical with excellent emulsification and antibacterial *** direct esterification of glycerol with lauric acid is the main method to synthesize *** this work,the kinetic process of direct esterification was systematically studied using p-toluenesulfonic acid as catalyst.A complete kinetic model of consecutive esterification reaction has been established,and the kinetic equation of acid catalysis was *** isomerization reactions of GML and glycerol dilaurate were *** was found that the reaction was an equilibrium reaction and the reaction rate was faster than the esterification *** kinetic equations of the consecutive esterification reaction were obtained by experiments as k_(1)=(276+92261Xcat)exp(-37720/RT)and k_(2)=(80+4413Xcat)exp(-32240/RT).The kinetic results are beneficial to the optimization of operating conditions and reactor design in GML production process.

关键词： Glycerol monolaurate p-Toluenesulfonic acid Esterification Kinetics Mass transfer