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RE-SEGNN:recurrent semantic evidence-aware graph neural network for temporal knowledge graph forecasting

Science China(Information Sciences) 2025年

作者： Wenyu CAI Mengfan LI Xuanhua SHI Yuanxin fan Quntao ZHU Hai JIN National Engineering Research Center for Big Data Technology and System Services Computing Technology and System Lab Cluster and Grid Computing Lab School of Computer Science and TechnologyHuazhong University of Science and Technology

Temporal knowledge graph(TKG) reasoning, has seen widespread use for modeling real-world events, particularly in extrapolation settings. Nevertheless, most previous studies are embedded models, which require both entity and relation embedding to make predictions, ignoring the semantic correlations among different entities and relations within the same timestamp. This can lead to random and nonsensical predictions when unseen entities or relations occur. Furthermore, many existing models exhibit limitations in handling highly correlated historical facts with extensive temporal depth. They often either overlook such facts or overly accentuate the relationships between recurring past occurrences and their current counterparts. Due to the dynamic nature of TKG, effectively capturing the evolving semantics between different timestamps can be *** address these shortcomings, we propose the recurrent semantic evidenceaware graph neural network(RE-SEGNN), a novel graph neural network that can learn the semantics of entities and relations simultaneously. For the former challenge, our model can predict a possible answer to missing quadruples based on semantics when facing unseen entities or relations. For the latter problem, based on an obvious established force, both the recency and frequency of semantic history tend to confer a higher reference value for the current. We use the Hawkes process to compute the semantic trend, which allows the semantics of recent facts to gain more attention than those of distant facts. Experimental results show that RE-SEGNN outperforms all SOTA models in entity prediction on 6 widely used datasets, and 5 datasets in relation prediction. Furthermore, the case study shows how our model can deal with unseen entities and relations.

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Phonon Stability of Quantum Droplets in Dipolar Bose Gases

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Chinese Physics Letters 2022年第6期39卷 52-57页

作者： fan Zhang Lan yin School of Physics Peking UniversityBeijing 100871China

Stabilized by quantum fluctuations,dipolar Bose–Einstein condensates can form self-bound liquid-like *** in the Bogoliubov theory,there are imaginary phonon energies in the long-wavelength limit,implying dynamical instability of this system.A similar instability appears in the Bogoliubov theory of a binary quantum droplet,and is removed due to higher-order quantum fluctuations as shown recently[Gu Q and yin L 2020 ***.B 102220503(R)].We study the excitation energy of a dipolar quantum droplet in the Beliaev formalism,and find that quantum fluctuations significantly enhance the phonon *** adopt a self-consistent approach without the problem of complex excitation energy in the Bogoliubov theory,and obtain a stable anisotropic sound velocity which is consistent with the superfluid hydrodynamic theory,but slightly different from the result of the extended Gross–Pitaevskii equation due to quantum depletion.A modified Gross–Pitaevskii equation in agreement with the Beliaev theory is proposed,which takes the effect of quantum fluctuations into account more completely.

关键词： stability quantum excitation

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Oil Film Stiffness of Double Involute Gears Based on Thermal EHL Theory

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Chinese Journal of Mechanical Engineering 2021年第3期34卷 256-271页

作者： Zhaoming yin Zhimin fan Feng Jiang College of Electromechanical Engineering Qingdao University of Science&TechnologyQingdao 266061China

Lubrication failure is one of the main failure forms of gear *** varying meshing stiffness is an important factor affecting the dynamic behavior of ***,the influence of oil film stiffness is usually ignored in the research *** this paper,according to the meshing characteristics of double involute gears,based on the non-Newtonian thermal EHL theory,a new calculation method of normal and tangential oil film stiffness for double involute gears is established by the idea of subsection *** oil film stiffness difference between double involute gears and common involute gears is analyzed,and the influence of tooth waist order parameters,working conditions,and thermal effect on the oil film stiffness are *** results reveal that there are some differences between normal and tangential oil film stiffness between double involute gears and common involute gears,but there is little *** with the torque,rotation speed and initial viscosity of the lubricating oil,the tooth waist order parameters have less influence on the oil film *** effect has a certain influence on normal and tangential oil film stiffness,which indicates that the influence of thermal effect on the oil film can not be *** research proposes a calculation method of normal and tangential oil film stiffness suitable for double involute gears,which provides a theoretical basis for improving the stability of the transmission.

关键词： Double involute gear(DIG) Elastohydrodynamic lubrication(EHL) Oil film stiffness Thermal effect

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A surface engineering strategy for the stabilization of zinc metal anodes with montmorillonite layers toward long-life rechargeable aqueous zinc ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 94-105页

作者： Wenbo Wang Ruifeng Xu Xu Zhang Peiyu Wang Bao Yang Bingjun Yang Juan Yang Kailimai Su Pengjun Ma Yanan Deng Xianfeng fan Wanjun Chen Key Laboratory for Electronic Materials College of Electrical Engineering Northwest Minzu University Resource Chemistry and Energy Materials Research Center State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences Institute for Materials and Processes School of Engineering University of Edinburgh

Rechargeable aqueous zinc-ion batteries （AZIBs） exhibit appreciable potential in the domain of electrochemical energy ***,there are serious challenges for AZIBs,for instance zinc dendrite growth,hydrogen evolution reaction （HER）,and corrosion side ***,we propose a surface engineering modification strategy for coating the montmorillonite （MMT） layer onto the surface of the Zn anode to tackle these issues,thereby achieving high cycling stability for rechargeable *** results reveal that the MMT layer on the surface of the Zn anode is able to provide ordered zincophilic channels for zinc ions migration,facilitating the reaction kinetics of zinc *** functional theory（DFT） calculations and water contact angle （CA） tests prove that MMT@Zn anode exhibits superior adsorption capacity for Zn2+and better hydrophobicity than the bare Zn anode,thereby achieving excellent cycling ***,the MMT@Zn||MMT@Zn symmetric cell holds the stable cycling over 5600 h at 0.5 mA cm-2and 0.125 m A h cm-2,even exceeding 1800 h long cycling under harsh conditions of 5 m A cm-2and 1.25 m A h *** MMT@Zn||V2O5full cell reaches over 3000 cycles at 2 A g-1with excellent rate ***,this surface engineering modification strategy for enhancing the electrochemical performance of AZIBs represents a promising application.

关键词： Hydrogen evolution reaction

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Trimetallic mesoporous PdCuRu for efficient formate electrosynthesis from polyethylene terephthalate recycling

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Science China Chemistry 2025年

作者： Yuting Li Huiqin Yao Lizhi Sun Shu Han Xiaoxiang Xu Guangyin fan Ben Liu College of Chemistry and Materials Science Sichuan Normal University Key Laboratory of Green Chemistry and Technology of Ministry of Education College of Chemistry Sichuan University School of Basic Medical Sciences Ningxia Medical University Department of Otorhinolaryngology-Head and Neck Surgery Zhongnan Hospital of Wuhan University

Electrochemical recycling of waste polyethylene terephthalate（PET） plastics represents a green and sustainable route to produce valuable fuels and address serious environmental issues. Despite some encouraged achievements, their progress is still slower because of the lack of highly active and selective electrocatalysts. Here, we reported an efficient PET recycling route with trimetallic PdCuRu mesoporous nanospheres（MSs） as a high-performance electrocatalyst that achieved selective electrosynthesis of valuable formate from PET hydrolysate（PETH） electrooxidation. Penetrated metal mesopores and trimetallic compositions of PdCuRu MSs synergistically optimized electronic structures of Pd sites and changed chemisorption properties of intermediates, which disclosed a high formate Faradic efficiency of 97% and impressive yield rate of 0.49 mmol h-1cm-2in an alkaline solution. Meanwhile, this electrocatalyst held good electrocatalytic stability, retaining high formate Faradic efficiency and yield rate even being performed for 10 cycles, which highlighted its potential applications for practical PET recycling. Our study provides a powerful strategy for designing high-performance electrocatalysts toward selective electro-synthesis of valuable fuels from various waste plastics.

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Synthetic control of chiral pore surfaces in covalent organic frameworks for enantioselective separation of chiral drugs

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Science China Chemistry 2025年

作者： Shiguo Fu Xiaofeng Zhang Kaixuan Wang Linfeng Chen fan Xia Yong Cui Yan Liu School of Chemistry and Chemical Engineering Frontiers Science Center for Transformative Molecules and State Key Laboratory of Metal Matrix Composites Shanghai Jiao Tong University Faculty of Materials Science and Chemistry China University of Geosciences

Enantioselective separations of racemates using porous materials are highly attractive and significant in both fundamental research and technological applications. However, achieving controlled chiral pore surfaces to create the necessary driving force for enantiomer discrimination poses a fundamental challenge. Herein, we demonstrate that chiral covalent organic frameworks(COFs) possess the essential characteristics for effective enantioseparations through synthetic control over pore surfaces. We synthesized three 3D chiral COFs (CCOFs) featuring abundant chiral recognition sites on the pore walls via the condensation of enantiopure dialdehyde of 2,2′-dihydroxy-1,1′-binaphthyl and tetraamine. All CCOFs with high stability exhibit an 11-fold interpenetrated framework with tubular open channels, decorated with dihydroxyl or diethoxyl groups. The CCOFs with dihydroxyl groups serve as solid adsorbents for the adsorptive separation and solid-phase extraction of various chiral 1-phenylethanol-derived enantiomers, particularly racemic drugs, achieving up to 98%enantiomeric excess. In contrast, the CCOF with diethoxy groups is unable to resolve the racemates. These CCOF materials can be recycled and reused without any apparent loss of performance. Density functional theory (DFT) calculations reveal that the enantiospecific recognition arises from the well-organized chiral inner sphere and multiple chiral host-guest interactions.

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Co@C-N as an electronic mediator anchored with Cu2O nanoparticles enables efficient photoreduction of CO2 to CO with nearly 100% selectivity

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Science China Chemistry 2025年

作者： Xingbin Pan Xiuzheng Deng Jingshan fan Jiangchuan Liu Changhai Liu Zhongyu Li Qian Liang Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology CNPC-CZU Innovation Alliance School of Petrochemical Engineering Changzhou University School of Materials Science & Engineering Changzhou University

Solar-driven CO2conversion into value-added chemical provides an attractive strategy for sustainable development. However,the enhanced CO2photoreduction performance with target product selectivity remains a major challenge. Here, we develop a novel strategy involving Cu2O nanoparticles in situ grown on the surface of ZIF-67-derived Co@C-N nanocages （CC） to create abundant active sites and appropriate heterointerfaces. A remarkable CO selectivity of 95.7%with a yield of 117.39μmol g-1h-1and an apparent quantum efficiency as high as 1.88%at 420 nm was obtained over CC-60 catalyst in pure water, which was 87.6times higher than that of pure Cu2O. Theoretical calculations and experiments indicated that Co@C-N nanocages as charge mediator not only rapidly trap photogenerated electrons to promote charge separation efficiency, but also regulate the d-band center of Cu atoms to move to the Fermi energy level, thereby optimizing the reaction kinetics to facilitate the highly selective conversion of the key intermediate *CO desorption to CO.

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Fractal growth kinematics abstracted from snowflakes:topological evolution

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Applied Mathematics and Mechanics(English Edition) 2015年第2期36卷 243-264页

作者： fan YANG Ya jun yin Bin HE Qinshan fan Department of Engineering Mechanics School of Aerospace Key Laboratory of Applied Mechanics Tsinghua University Division of Mechanics Nanjing University of Technology

Based on the kinematic viewpoint, the concept of proportional movement is abstracted to explain the strange behaviors of fractal snowflakes. A transformation group for proportional movement is defined. Under the proportional movement transformation groups, necessary and sufficient conditions for self-similarity of multilevel structures are presented. The characteristic topology of snowflake-like fractal patterns, identical to the topology of ternary-segment fractal line, is proved. Moreover, the topological evolution of N-segment line is explored. The concepts of limit growth and infinite growth are clarified,and the corresponding growth conditions are derived. The topological invariant properties of N-segment line are exposed. In addition, the proposition that the topological evolution of the N-segment line is mainly controlled by the topological invariant N is verified.

关键词： fractal snowflake proportional movement self-similarity N-segment line topological evolution and topological invariant

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Advancing ion-exchange membranes to ion-selective membranes:principles,status,and opportunities

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Frontiers of Environmental Science & Engineering 2023年第2期17卷 145-171页

作者： Hanqing fan Yuxuan Huang Ngai yin Yip Department of Earth and Environmental Engineering Columbia UniversityNew YorkNY 10027-6623USA Columbia Water Center Columbia UniversityNew YorkNY 10027-6623USA

Ion-exchange membranes(IEMs)are utilized in numerous established,emergent,and emerging applications for water,energy,and the *** article reviews the five different types of IEM selectivity,namely charge,valence,specific ion,ion/solvent,and ion/uncharged solute *** pathways to advance the selectivities through the sorption and migration mechanisms of transport in IEM are critically *** of the underlying principles governing transport,efforts to enhance selectivity by tuning the membrane structural and chemical properties are almost always accompanied by a concomitant decline in permeability of the desired *** the undesired crossover of solvent and neutral species is crucial to realize the practical implementation of several technologies,including bioelectrochemical systems,hypersaline electrodialysis desalination,fuel cells,and redox flow batteries,but the ion/solvent and ion/uncharged solute selectivities are relatively understudied,compared to the ion/ion *** fundamental understanding of the transport phenomena,specifically the factors underpinning structure-property-performance relationships,will be vital to guide the informed development of more selective *** in material and membrane design offer opportunities to utilize ion discrimination mechanisms that are radically different from conventional IEMs and potentially depart from the putative permeability-selectivity *** in IEM selectivity can contribute to meeting the aqueous separation needs of water,energy,and environmental challenges.

关键词： Ion-exchange membranes Selectivity Separations

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Chiral phosphoramidite ligand-modulated palladium auto-tandem catalysis for asymmetric dehydrogenative dienylation of imines with α-alkenes

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Science China Chemistry 2025年

作者： Zhong-Sheng Nong Hao-fan Qian ying-Chun Chen Pu-Sheng Wang Liu-Zhu Gong Hefei National Research Center for Physical Sciences at the Microscale and Department of Chemistry University of Science and Technology of China Key Laboratory of Drug Targeting and Drug Delivery System (Sichuan University) Ministry of Education and Sichuan Research Center for Drug Precision Industrial Technology West China School of Pharmacy Sichuan University School of Materials and Chemistry Southwest University of Science and Technology

The development of efficient processes allowing rapid access to complex chiral molecules from easily available alkenes is a long-term pursuit in the synthetic chemistry community. Transition metal-catalyzed asymmetric functionalization of allylic C–H bond represents a unique alternative toward this goal. However, enantioselective dehydrogenative transformation of olefins to value-added optically enriched molecules remains yet to be discovered. Here, we report a highly enantioselective dehydrogenative dienylation of imines with unactivated α-alkenes driven by the synergistic action of palladium complex and carboxylic acid. Chiral phosphoramidite ligands turned out to be superior in modulating the performance of palladium autotandem catalysis and allowed a broad range of α-alkenes and imines to be transformed into chiral dienylamines. Mechanistic studies suggest that the dienes could be in situ generated from α-alkenes through a palladium(0)-mediated dehydrogenative process in the presence of excess benzoquinone oxidants, and then participated in the Pd-chiral phosphoramidite-catalyzed intermolecular vinylogous-type addition to the imines activated by the carboxylic acid co-catalyst. Notably, the second β-H elimination occurring in the dienylation event might be the turnover-limiting step.

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