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Focusing on the meso-scales of multi-scale phenomena-In search for a new paradigm in chemical engineering

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Particuology 2010年第6期8卷 634-639页

作者： Jinghai Li Wei Ge Wei Wang Ning Yang The EMMS Group State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 China

To celebrate the 90th birthday of Professor Mooson Kwauk, who supervised the multi-scale research at this Institute in the last three decades, we dedicate this paper outlining our thoughts on this subject accumulated from our previous studies. In the process of developing, improving and extending the energy- minimization multi-scale （EMMS） method, we have gradually recognized that meso-scales are critical to the understanding of the different kinds of multi-scale structures and systems. It is a common challenge not only for chemical engineering but also for almost all disciplines of science and engineering, due to its importance in bridging micro- and macro-behaviors and in displaying complexity and diversity. It is believed that there may exist a common law behind meso-scales of different problems, possibly even in different fields. Therefore, a breakthrough in the understanding of meso-scales will help materialize a revolutionary progress, with respect to modeling, computation and application.

关键词： Meso-scale Multi-scale Complex system EMMS Multi-phase High performance computation

Three-dimensional magnetization reconstruction from electron optical phase images with physical constraints

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Science China(Physics,Mechanics & Astronomy) 2024年第11期67卷 122-132页

作者： Boyao Lyu Shihua Zhao Yibo Zhang Weiwei Wang Fengshan Zheng Rafal E.Dunin-Borkowski Jiadong Zang Haifeng Du Anhui Province Key Laboratory of Low-Energy Quantum Materials and Devices High Magnetic Field LaboratoryHefei Institutes of Physical ScienceChinese Academy of SciencesHefei 230031China Science Island Branch Graduate School of University of Science and Technology of ChinaHefei 230026China Department of Physics and Astronomy University of New HampshireDurham 03824USA Department of Physics The City College of New YorkNew York 10031USA Physics Program Graduate Center of the City University of New YorkNew York 10016USA Department of Chemistry University of New HampshireDurham 03824USA Institutes of Physical Science and Information Technology Anhui UniversityHefei 230601China Spin-X Institute Center for Electron MicroscopySchool of Physics and OptoelectronicsState Key Laboratory of Luminescent Materials and DevicesGuangdong-Hong Kong-Macao Joint Laboratory of Optoelectronic and Magnetic Functional MaterialsSouth China University of TechnologyGuangzhou 511442China Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons Forschungszentrum JülichJülich 52425Germany

The ability to characterize three-dimensional(3D)magnetization distributions in nanoscale magnetic materials and devices is essential to fully understand their static and dynamic magnetic *** contrast techniques in the transmission electron microscope(TEM),such as electron holography and electron ptychography,can be used to record two-dimensional(2D)projections of the in-plane magnetic induction of 3D nanoscale *** the 3D magnetic induction can in principle be reconstructed from one or more tilt series of such 2D projections,conventional tomographic reconstruction algorithms do not recover the 3D magnetization within a sample ***,we use simulations to describe the basis of an improved model-based algorithm for the tomographic reconstruction of a 3D magnetization distribution from one or more tilt series of electron optical phase images recorded in the *** algorithm allows a wide range of physical constraints,including a priori information about the sample geometry and magnetic parameters,to be *** also makes use of minimization of the micromagnetic energy in the loss *** demonstrate the reconstruction of the 3D magnetization of a localized magnetic soliton—a hopfion ring—and discuss the influence of noise,choice of magnetic constants,maximum tilt angle and number of tilt axes on the *** algorithm can in principle be adapted for other magnetic contrast imaging techniques in the TEM,as well as for other magnetic characterization techniques,such as those based on X-rays or neutrons.

关键词： three-dimensional magnetization vector field tomography differentiable programming electron holography micromagnetism

Targeting STING oligomerization with licochalcone D ameliorates STING-driven inflammatory diseases

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Science China Life Sciences 2024年

作者： Yinghui Zhang Yadan Liu Bing Jiang Lifan Chen Jie Hu Buying Niu Jie Chang Zisheng Fan Jingyi Zhou Yajie Wang Dan Teng Ning Ma Xiaofeng Wang Ruirui Yang Mingyue Zheng Sulin Zhang Drug Discovery and Design Center State Key Laboratory of Drug Research Shanghai Institute of Materia Medica Chinese Academy of Sciences University of Chinese Academy of Sciences School of Chinese Materia Medica Nanjing University of Chinese Medicine Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology Shanghai Tech University School of Physical Science and Technology ShanghaiTech University School of Pharmaceutical Science and Technology Hangzhou Institute for Advanced Study University of Chinese Academy of Sciences State Key Laboratory of Pharmaceutical Biotechnology Nanjing University

The development of STING inhibitors for the treatment of STING-related inflammatory diseases continues to encounter significant challenges. The activation of STING is a multi-step process that includes binding with cGAMP, self-oligomerization, and translocation from the endoplasmic reticulum to the Golgi apparatus, ultimately inducing the expression of IRF3 and NF-κB-mediated interferons and inflammatory cytokines. It has been demonstrated that disruption of any of these steps can effectively inhibit STING activation. Traditional structure-based drug screening methodologies generally focus on specific binding sites. In this study, a TransformerCPI model based on protein primary sequences and independent of binding sites is employed to identify compounds capable of binding to the STING protein. The natural product Licochalcone D（LicoD） is identified as a potent and selective STING inhibitor. LicoD does not bind to the classical ligandbinding pocket; instead, it covalently modifies the Cys148 residue of STING. This modification inhibits STING oligomerization, consequently suppressing the recruitment of TBK1 and the nuclear translocation of IRF3 and NF-κB. LicoD treatment ameliorates the inflammatory phenotype in Trex1-/-mice and inhibits the progression of DSS-induced colitis and AOM/DSS-induced colitis-associated colon cancer（CAC）.In summary, this study reveals the potential of LicoD in treating STING-driven inflammatory diseases. It also demonstrates the utility of the TransformerCPI model in discovering allosteric compounds beyond the conventional binding pockets.

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Macroscale superlubricity achieved via hydroxylated hexagonal boron nitride nanosheets with ionic liquid at steel/steel interface

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Friction 2022年第9期10卷 1365-1381页

作者： Zhiwen ZHENG Xiaolong LIU Guowei HUANG Haijie CHEN Hongxiang YU Dapeng FENG Dan QIAO State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of TechnologyLanzhou 730050China

Macroscale superlubricity is a prospective strategy in modern tribology to dramatically reduce friction and wear of mechanical equipment;however,it is mainly studied for point-to-surface contact or special friction pairs in *** this study,a robust macroscale superlubricity for point-to-point contact on a steel interface was achieved for the first time by using hydroxylated modified boron nitride nanosheets with proton-type ionic liquids(ILs)as additives in ethylene glycol aqueous(EG_(aq)).The detailed superlubricity process and mechanism were revealed by theoretical calculations and segmented *** results indicate that hydration originating from hydrated ions can significantly reduce the shear stress of EG_(aq),which plays an essential role in achieving ***,the IL induces a tribochemical reaction to form a friction-protective *** boron nitride nanosheets(HO-BNNs)function as a polishing and self-repairing agent to disperse the contact stress between friction *** involves the change in lubrication state from boundary lubrication to mixed *** finding can remarkably extend the application of superlubricity for point-to-point contact on steel surfaces for engineering applications.

关键词： macroscale superlubricity ionic liquid(IL) hydroxylated boron nitride steel/steel interface mixed lubrication

Numerical Simulation of Solidification of Work Roll in Centrifugal casting Process

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Journal of Materials Science & Technology 2012年第2期28卷 147-154页

作者： Nannan Song Yikun Luan Yunlong Bai Z.A. Xu Xiuhong Kang Dianzhong Li Shenyang National Laboratory for Materials Science Institute of Metal Research Chinese Academy of Sciences Shenyang 110016 China SIRRIS the Collective Center for the Belgian Technological Industry Technologiepark 915 9052 Zwijnaarde Belgium

A program on the solidification process of horizontal centrifugal casting coupled with eutectic carbides segregation has been developed in this paper. Due to the geometrical features of work roll, a cylindrical coordinate system was used. The temperature field of the outer layer at the end of filling process was imported as the initial temperature condition for the solidification process. The model of eutectic carbides segregation caused by different densities between eutectic MC and the molten steel was coupled in the program. The temperature field of the outer layer of work roll during horizontal centrifugal casting process was investigated. Results show that the outer layer has a ＂sandwich shape＂ solid fraction manner. Results also indicate that the segregation of eutectic MC is quite severe during centrifugal casting process. It forms four zones of different content of carbides in radial direction. The simulated results of MC carbides segregation phenomenon agree with the experimental observations.

关键词： Numerical simulation Horizontal centrifugal casting MC segregation Work roll

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二维范德华磁体的拓扑自旋结构的研究进展

Science Bulletin 2024年第11期69卷 1612-1616页

作者：许洪军刘艺舟 Giovanni Finocchio Kang LWang 于国强 Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsUniversity of Chinese Academy of SciencesChinese Academy of SciencesBeijing 100190China RIKEN Center for Emergent Matter Science(CEMS) Wako 351-0198Japan Department of Mathematical and Computer Sciences Physical Sciences and Earth SciencesUniversity of MessinaMessina 98166Italy Department of Electrical Engineering University of CaliforniaLos Angeles CA 90095USA

The importance of topological spin textures(TSTs), such as skyrmions, merons, hopfions, etc., is due to their static and dynamic properties [1]. They carry a topological number that characterizes the homotopy group Π_(n)(S^(2))(n ∈ Z) and classifies maps from S^(n) to S^(2)(e.g., the skyrmion winding number corresponds to Π_(2)(S^(2))).

关键词：自旋结构 topological homotopy

多带笼目超导体CsV_(3)Sb_(5)衍生体系的可调磁通涡旋束缚态

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Science Bulletin 2024年第7期69卷 885-892页

作者：黄子豪韩相和赵振刘锦锦李鹏飞谭恒心王秩伟姚裕贵杨海涛颜丙海蒋坤胡江平汪自强陈辉高鸿钧 Beijing National Center for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100190China Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement(MOE)School of PhysicsBeijing Institute of TechnologyBeijing 100081China Beijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems Beijing Institute of TechnologyBeijing 100081China Department of Condensed Matter Physics Weizmann Institute of ScienceRehovot 7610001Israel Hefei National Laboratory Hefei 230088China Department of Physics Boston CollegeChestnut Hill MA 02467USA

Vortices and bound states offer an effective means of comprehending the electronic properties of ***,surface-dependent vortex core states have been observed in the newly discovered kagome superconductors CsV_(3)Sb_(5).Although the spatial distribution of the sharp zero energy conductance peak appears similar to Majorana bound states arising from the superconducting Dirac surface states,its origin remains *** this study,we present observations of tunable vortex bound states(VBSs)in two chemically-doped kagome superconductors Cs(V_(1-x)Tr_(x))_(3)Sb_(5)(Tr=Ta or Ti),using low-temperature scanning tunneling microscopy/*** CsV_(3)Sb_(5)-derived kagome superconductors exhibit full-gap-pairing superconductivity accompanied by the absence of long-range charge orders,in contrast to pristine CsV_(3)Sb_(5).Zero-energy conductance maps demonstrate a field-driven continuous reorientation transition of the vortex lattice,suggesting multiband *** Ta-doped CsV_(3)Sb_(5)displays the conventional cross-shaped spatial evolution of Caroli-de Gennes-Matricon bound states,while the Tidoped CsV_(3)Sb_(5)exhibits a sharp,non-split zero-bias conductance peak(ZBCP)that persists over a long distance across the *** spatial evolution of the non-split ZBCP is robust against surface effects and external magnetic field but is related to the doping *** study reveals the tunable VBSs in multiband chemically-doped CsV_(3)Sb_(5)system and offers fresh insights into previously reported Y-shaped ZBCP in a non-quantum-limit condition at the surface of kagome superconductor.

关键词： Kagome superconductor Chemical doping Vortex lattice transition Vortex bound states Majorana bound states

Engineering heterogenous catalysts for chemical CO_(2) utilization:Lessons from thermal catalysis and advantages of yolk@shell structured nanoreactors

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Journal of Energy Chemistry 2021年第6期30卷 304-324,I0008页

作者： Cameron Alexander Hurd Price Tomas Ramirez Reina Jian Liu DICP-Surrey Joint Centre for Future Materials Department of Chemical and Process EngineeringUniversity of SurreyGuildfordSurrey GU27XHUK State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

The development of catalytic materials for the recycling CO_(2) through a myriad of available processes is an attractive field,especially given the current climate *** there is increasing publication in this field,the reported catalysts rarely deviate from the traditionally supported metal nanoparticle morphology,with the most simplistic method of enhancement being the addition of more metals to an already complex *** catalysts,especially yolk@shell catalysts with hollow voids,offer answers to the most prominent issues faced by this field,coking and sintering,and further potential for more advanced phenomena,for example,the confinement effect,to promote selectivity or offer greater protection against coking and *** work serves to demonstrate the current position of catalyst development in the fields of thermal CO_(2) reforming and hydrogenation,summarizing the most recent work available and most common metals used for these reactions,and how yolk@shell catalysts can offer superior performance and survivability in thermal CO_(2) reforming and hydrogenation to the more traditional ***,this work will briefly demonstrate the bespoke nature and highly variable yolk@shell ***,this review aims to illuminate the spatial confinement effect and how it enhances yolk@shell structured nanoreactors is presented.

关键词： Yolk@shell CO_(2)utilization Reforming Hydrogenation Confinement effect

Combining RUSLE model and the vegetation health index to unravel the relationship between soil erosion and droughts in southeastern Tunisia

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Journal of Arid Land 2023年第11期15卷 1269-1289页

作者： Olfa TERWAYET BAYOULI ZHANG Wanchang Houssem TERWAYET BAYOULI Key Laboratory of Digital Earth Science Aerospace Information Research InstituteChinese Academy of SciencesBeijing 100094China University of Chinese Academy of Sciences Beijing 100049China National Agronomic Institute of Tunisia(INAT) Tunis 1082Tunisia

Droughts and soil erosion are among the most prominent climatic driven hazards in drylands,leading to detrimental environmental impacts,such as degraded lands,deteriorated ecosystem services and biodiversity,and increased greenhouse gas *** response to the current lack of studies combining drought conditions and soil erosion processes,in this study,we developed a comprehensive Geographic Information System(GIS)-based approach to assess soil erosion and droughts,thereby revealing the relationship between soil erosion and droughts under an arid *** vegetation condition index(VCI)and temperature condition index(TCI)derived respectively from the enhanced vegetation index(EVI)MOD13A2 and land surface temperature(LST)MOD11A2 products were combined to generate the vegetation health index(VHI).The VHI has been conceived as an efficient tool to monitor droughts in the Negueb watershed,southeastern *** revised universal soil loss equation(RUSLE)model was applied to quantitatively estimate soil *** relationship between soil erosion and droughts was investigated through Pearson *** exhibited that the Negueb watershed experienced recurrent mild to extreme drought during 2000–*** average soil erosion rate was determined to be 1.8 t/(hm2•a).The mountainous western part of the watershed was the most vulnerable not only to soil erosion but also to *** slope length and steepness factor was shown to be the most significant controlling parameter driving soil *** relationship between droughts and soil erosion had a positive correlation(r=0.3);however,the correlation was highly varied spatially across the *** was linked to soil erosion in the Negueb *** current study provides insight for natural disaster risk assessment,land managers,and stake-holders to apply appropriate management measures to promote sustainable development goals in fragile environments.

关键词： droughts soil erosion vegetation health index(VHI) revised universal soil loss equation(RUSLE)model southeastern Tunisia