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Rotational and translational domains of beta precipitate in aged binary Mg-Ce alloys

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Journal of Magnesium and Alloys 2021年第3期9卷 1039-1056页

作者： b.z.sun H.X.zhang Y.Dong J.X.Ren Y.Tian G.M.Xie J.Tan Y.H.sun Na Xiao School of Materials Science and Engineering Northeastern UniversityShenyang 110819China State Key Lab Rolling&Automat Northeastern UniversityShenyang 110819China Key Laboratory for Anisotropy and Texture of Materials Ministry of EducationNortheastern UniversityShenyang 110819China Analytical and Testing Center Northeastern UniversityShenyang 110819China

The structural evolution fromβ_(1)(Mg_(3)Ce)toβ(Mg_(12)Ce)precipitates,which takes place at the over-aged stage of binary Mg-Ce alloys,are investigated by high-angle annular dark-field scanning transmission electron *** structural transformation mainly occurs in the{111}_(β1)crystallographic planes,where the newly formedβlattices exhibit two categories of domain structures,namely rotational and translational *** rotational domain is composed of threeβdomains(β_(RA),β_(Rb)andβ_(RC)),which are related by a 120°rotation with respect to each other around the 111_(β1)axis of theirβ_(1)parent ***{111}_(β1)crystallographic planes can provide four sets of sublattices with the same orientation for an initial nucleation ofβ*** leads to the formation of four translationalβdomains(β_(TA),β_(Tb),β_(TC)andβ_(TD)),among which any two differ by a vector of 1/6112_(β1).We deduce theoretically that there exist twenty-fourβdomains during this ***,considering the interfacial misfit,only one-third of domains can grow up and eventually formsβ***,a majority ofβribbons overlap partiallyβ_(1)plate,which is beneficial to relax interfacial strain amongβ,β_(1)andα-Mg matrix(α/β/β_(1)).The configuration of multipleβdomains can effectively regulate interfacial misfit ofα/βandβ/β_(1),which are responsible for enhancing the hardness and strength of Mg-Ce ***,this study aims to provide some clues to improve the over-aged performance of magnesium alloys by constructingβdomains and optimizing theα/β/β_(1)interface.

关键词： Magnesium alloys HAADF-STEM Rotational domain Translational domain Phase transition Interfacial misfit

boosting bidirectional sulfur conversion enabled by introducing boron-doped atoms and phosphorus vacancies in Ni2P for lithium-sulfur batteries

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Journal of Energy Chemistry 2025年第1期100卷 760-769页

作者： Lin Peng Yu bai Hang Li Meixiu Qu zhenhua Wang Kening sun Advanced Research Institute of Multidisciplinary Science Beijing Institute of Technology beijing Key Laboratory of Chemical Power Source and Green Catalysis School of Chemistry and Chemical Engineering Beijing Institute of Technology

Lithium-sulfur （Li-S） batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish redox ***,we supply a strategy to optimize the electron structure of Ni2P by concurrently introducing b-doped atoms and P vacancies in Ni2P （Vp-b-Ni2P）,thereby enhancing the bidirectional sulfur *** study indicates that the simultaneous introduction of b-doped atoms and P vacancies in Ni2P causes the redistribution of electron around Ni atoms,bringing about the upward shift of d-band center of Ni atoms and effective d-p orbital hybridization between Ni atoms and sulfur species,thus strengthening the chemical anchoring for lithium polysulfides （LiPSs） as well as expediting the bidirectional conversion kinetics of sulfur ***,theoretical calculations reveal that the incorporation of b-doped atoms and P vacancies in Ni2P selectively promotes Li2S dissolution and nucleation ***,the Li-S batteries with Vp-b-Ni2P-separators present outstanding rate ability of 777 m A h g-1at 5 C and high areal capacity of 8.03 mA h cm-2under E/S of 5μL mg-1and sulfur loading of 7.20 mg *** work elucidates that introducing heteroatom and vacancy in metal phosphide collaboratively regulates the electron structure to accelerate bidirectional sulfur conversion.

关键词： Lithium sulfur batteries

Depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 335-345页

作者： Feng zhang Chenyang zhang Linlin Wu Wei sun Hongliang zhang Jianhua Chen Yong Pei Songjiang Li Engineering Research Center of Ministry of Education for Carbon Emission Reduction in Metal Resource Exploitation and Utilization Hunan International Joint Research Center for Efficient and Clean Utilization of Critical Metal Mineral ResourcesSchool of Minerals Processing and BioengineeringCentral South UniversityChangsha 410083China State Key Laboratory of Mineral Processing Beijing General Research Institute of Mining&MetallurgyBeijing 100160China Hunan Provincial Key Laboratory of Micro&Nano Materials Interfaces Science College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China School of Resources Environment and MaterialsGuangxi UniversityNanning 530004China Department of Chemistry Xiangtan UniversityXiangtan 411105China China Railway Resource Group Co.Ltd Beijing 102300China

The depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite still lacked in-depth ***,the depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite was further systematically investigated with experiments and density functional theory(DFT)*** X-ray photoelectric spectroscopy(XPS)results,DFT calculation results,and frontier molecular orbital analysis indicated that sulfite ions were difficult to be adsorbed on sphalerite surface,suggesting that sulfite ions achieved depression effects on sphalerite through other non-adsorption ***,the oxygen content in the surface of sphalerite treated with sulfite ions in creased,which enhanced the hydrophilicity of the sphalerite and further increased the difference in hydrophilicity between sphalerite and ***,sulfite ions were chelated with lead ions to form PbSO_(3)in *** hydrophilic PbSO_(3)was more easily adsorbed on sphalerite than *** interaction between sulfite ions and lead ions could effectively inhibit the activation of *** addition the UV spectrum showed that after adding sulfite ions,the peak of perxanthate in the sphalerite treated xanthate solution was significantly stronger than that in the galena with xanthate solution,indicating that xanthate interacted more readily with sulfite ions and oxygen mo lecules within the sphalerite system,leading to the formation of ***,sulfite ions hardly depressed the flotation of ga lena and could promote the flotation of galena to some *** study deepened the understanding of the depression mechanism o sulfite ions on sphalerite and Pb^(2+)activated sphalerite.

关键词： sphalerite galena sulfite ion density functional theory depression mechanism

Influence of introducing zr,Ti,Nb and Ce elements on externally solidified crystals and mechanical properties of high-pressure die-casting Al–Si alloy

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 147-153页

作者： Junjie Li Wenbo Yu zhenyu sun Weichen zheng Liangwei zhang Yanling Xue Wenning Liu Shoumei Xiong Center of Materials Science and Engineering School of Mechanical and Electronic Control EngineeringBeijing Jiaotong UniversityBeijing 100044China Traffic&Transportation Engineering Central South UniversityChangsha 410075China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China School of Materials Science and Engineering Tsinghua UniversityBeijing 100084China

High pressure die casting(HPDC)AlSi10Mn Mg alloy castings are widely used in the automobile *** can optimize the mechanical properties of castings through heat treatment,while the release of thermal stress arouses the deformation of large integrated ***,the development of non-heat treatment Al alloys is becoming the hot *** addition,HPDC contains externally solidified crystals(ESCs),which are detrimental to the mechanical properties of *** achieve high strength and toughness of non-heat treatment die-casting Al-Si alloy,we used AlSi9Mn alloy as matrix with the introduction of zr,Ti,Nb,and *** influences on ESCs and mechanical properties were systematically investigated through three-dimensional reconstruction and thermodynamic *** results reveal that the addition of Ti increased ESCs'size and porosity,while the introduction of Nb refined ESCs and decreased ***,large-sized Al_3(zr,Ti)phases formed and degraded the mechanical *** introduction of Ce resulted in the poisoning effect and reduced mechanical properties.

关键词： aluminium alloy high-pressure die-casting externally solidified crystals non-heat treatment

Flexible molecules dedicate to release strain of inverted inorganic perovskite solar cell

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Journal of Energy Chemistry 2025年第1期100卷 87-93页

作者： Hongrui sun Sanlong Wang Pengyang Wang Yali Liu Shanshan Qi biao Shi Ying zhao Xiaodan zhang Institute of Photoelectronic Thin Film Devices and Technology Renewable Energy Conversion and Storage Center State Key Laboratory of Photovoltaic Materials and CellsNankai University Key Laboratory of Photoelectronic Thin Film Devices and Technology of Tianjin Haihe Laboratory of Sustainable Chemical Transformations Engineering Research Center of Thin Film Photoelectronic Technology of Ministry of Education Collaborative Innovation Center of Chemical Science and Engineering (Tianjin)

The tensile strain in inorganic perovskite films induced by thermal annealing is one of the primary factors contributing to the inefficiency and instability of inorganic perovskite solar cells （IPSCs）,which reduces the defect formation ***,a flexible molecule 5-maleimidovaleric acid （5-MVA） was introduced as a strain buffer to release the residual strain of *** anhydride and carboxyl groups in 5-MVA interact strongly with the uncoordinated Pb2+through Lewis acid-base reaction,thus tightly“pull”the perovskite *** in-between soft carbon chain increased the structural flexibility of CsPbI2.85br0.15perovskite materials,which effectively relieved the intrinsic internal strain of CsPbI2.85br0.15,resisted the corrosion of external strain,and also reduced the formation of defects such as VIand *** addition,the introduction of 5-MVA improved crystal quality,passivated residual defects,and narrowed energy level ***,power conversion efficiency （PCE） of NiOxbased inverted IPSCs increased from 19.25% to 20.82% with the open-circuit voltage enhanced from 1.164 V to 1.230 *** release of strain also improved the stability of CsPbI2.85br0.15perovskite films and devices.

关键词： Inverted inorganic perovskite solar cells Flexible molecules Strain release Crystallization Energy barrier High PCE

Dynamic modeling of a three-dimensional braided composite thin plate considering braiding directions

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 123-138页

作者： Chentong GAO Huiyu sun Jianping GU W.M.HUANG College of Aerospace Engineering Nanjing University of Aeronautics and Astronautics School of Mechanical and Aerospace Engineering Nanyang Technological University Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology School of Materials Science and EngineeringNanjing Institute of Technology

Currently, there are a limited number of dynamic models available for braided composite plates with large overall motions, despite the incorporation of three-dimensional(3D) braided composites into rotating blade components. In this paper, a dynamic model of 3D 4-directional braided composite thin plates considering braiding directions is established. based on Kirchhoff's plate assumptions, the displacement variables of the plate are expressed. by incorporating the braiding directions into the constitutive equation of the braided composites, the dynamic model of the plate considering braiding directions is obtained. The effects of the speeds, braiding directions, and braided angles on the responses of the plate with fixed-axis rotation and translational motion, respectively, are investigated. This paper presents a dynamic theory for calculating the deformation of 3D braided composite structures undergoing both translational and rotational motions. It also provides a simulation method for investigating the dynamic behavior of non-isotropic material plates in various applications.

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Progress of crystalline carbon nitride in synthesis,atomic structure characterization and photocatalysis

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Nano Research 2025年第1期18卷 455-476页

作者： Yueyang Tan zhongyan zhang Yayun Pu zongzhao sun Limin Huang School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001China Department of Chemistry Southern University of Science and TechnologyShenzhen 518055China School of Traffic and Environment Shenzhen Institute of Information TechnologyShenzhen 518172China College of Chemistry and Chemical Engineering Linyi UniversityLinyi 276000China School of Optoelectronic Engineering Chongqing University of Posts and TelecommunicationsChongqing 400065China

Crystalline carbon nitride(CCN)has emerged as a highly promising semiconductor photocatalyst with unique properties,such as enhanced charge migration rate,reduced carrier recombination probability,narrow band gap and improved light-harvesting efficiency,which are suitable for a wide range of applications in solar-to-chemical conversion,energy storage,therapeutic and environmental pollution *** the past few years,there has been an increasing number of reviews on CCN ***,most of these reviews mainly focus on synthesis methods,modification and applications,with less emphasis on the relationship between structures and properties,as well as on indepth exploration of the crystalline *** electronic instability of CCN presents challenges for conventional characterization techniques to directly and thoroughly investigate the relationship between its intrinsic atom structure and photocatalytic *** mini-review not only highlights the progress in CCN-based photocatalysts,with a focus on molten-salt synthesis(including solid-salt-induced crystallization),but also emphasizes the atomic structure characterization by specifically introducing the differential phase contrast(DPC)scanning transmission electron microscopy(STEM)technique,which is essential for enhancing our understanding of the crystal structure and photocatalytic mechanisms of ***,the review outlines the photocatalytic performance and puts forward potential challenges on CCN *** review will provide a clearer understanding of the relationship in developing precise customization strategies for CCN materials and ultimately explain the regularity and specificity of the enhanced performance in targeted photocatalytic systems.

关键词： crystalline carbon nitride synthesis characterization photocatalysis

ON THE L_∞ CONVERGENCE AND THE EXTRAPOLATION METHOD OF A DIFFERENCE SCHEME FOR NONLOCAL PARAbOLIC EQUATION WITH NATURAL bOUNDARY CONDITIONS

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Journal of Computational Mathematics 2001年第5期19卷 449-458页

作者： Wan, z.-S. sun, z.-z. Institute of Applied Physics and CM P.O. Box 8009 Beijing 100088 China

In paper (J. Comput. Appl. Math., 76 (1996), 137-146), a difference scheme for a class of nonlocal parabolic equations with natural boundary conditions was derived by the method of reduction of order and the unique solvability and second order convergence in L2-norm are proved. In this paper, we prove that the scheme is second order convergent in L∞ norm and then obtain fourth order accuracy approximation in L∞ norm by extrapolation method. At last, one numerical example is presented.

关键词： Approximation theory boundary conditions Convergence of numerical methods Extrapolation

Targets capture by distributed active swarms via bio-inspired reinforcement learning

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 210-221页

作者： Kun Xu Yue Li Jun sun Shuyuan Du Xinpeng Di Yuguang Yang bo Li Institute of biomechanics and Medical Engineering Applied Mechanics Laboratory Department of Engineering MechanicsTsinghua University Institute of Nuclear and New Energy Technology Tsinghua University Shanghai Aerospace Control Technology Institute Shanghai Key Laboratory of Aerospace Intelligent Control Technology College of Automation Engineering Nanjing University of Aeronautics and Astronautics

Natural swarms arranged from cells to herds are usually decentralized but display intriguing collective intelligence in coordinating individuals across large scales to efficiently achieve their common goals. Learning from nature may provide new strategies for controlling collective dynamics of synthetic swarms to accomplish specific functions. Here, we present a bioinspired computational framework that steers distributed active swarms to collectively capture and merge targets via reinforcement learning. We exploit collective milling structures of natural herds to cage the targets, and adopt a switching control policy inspired by sperms' chiral dynamics to optimize the trajectories of individuals, through which the active swarms can selforganize to enclose single or multiple distant targets in a dynamical, adaptive and scalable manner. There exists a critical swarm size, beyond which the excessive competition between agents would generate large mechanical forces, leading to capture instability but enabling the transition from short-distance to long-distance merging capture of multiple targets. This work provides physical insights into distributed active swarms and could offer a multilevel, decentralized strategy toward controlling swarm robotics in wide applications such as bio-medical devices, machine immunity, and target clearance.

关键词： swarm intelligence robotics multi-tasks artificial intelligence bionics