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Strong electron correlation-induced Mott-insulating electrides of Ae_(5)X_(3)(Ae=Ca,Sr,and Ba;X=As and Sb)

Matter and Radiation at Extremes 2024年第3期9卷 74-82页

作者： Ya Xu Lu Zheng Yunkun Zhang Zhuangfei Zhang QianQian Wang Yuewen Zhang Liangchao Chen Chao Fang Biao Wan Huiyang Gou Key Laboratory of Material Physics of Ministry of Education School of Physics and Laboratory of Zhongyuan LightZhengzhou UniversityZhengzhou 450052China School of Mechanical and Equipment Engineering Hebei University of EngineeringHandan 056038China Center for High Pressure science and Technology Advanced Research Beijing 100094China

The presence of interstitial electrons in electrides endows them with interesting attributes,such as low work function,high carrier concentration,and unique magnetic *** knowledge and understanding of electrides are thus of both scientific and technological ***,we employ first-principles calculations to investigate Mott-insulating Ae_(5)X_(3)(Ae=Ca,Sr,and Ba;X=As and Sb)electrides with Mn_(5)Si_(3)-type structure,in which half-filled interstitial electrons serve as ions and are *** Mott-insulating property is induced by strong electron correlation between the nearest interstitial electrons,resulting in spin splitting and a separation between occupied and unoccupied *** half-filled antiferromagnetic configuration and localization of the interstitial electrons are critical for the Mott-insulating properties of these *** with that in intermetallic electrides,the orbital hybridization between the half-filled interstitial electrons and the surrounding atoms is weak,leading to highly localized magnetic centers and pronounced correlation ***,the Mott-insulating electrides Ae_(5)X_(3)have very large indirect bandgaps(0.30 eV).In addition,high pressure is found to strengthen the strong correlation effects and enlarge the *** present results provide a deeper understanding of the formation mechanism of Mott-insulating electrides and provide guidance for the search for new strongly correlated electrides.

关键词： intermetallic filled occupied

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Development of component stiffness equations for thread-fixed one-side bolt connections to an enclosed rectangular hollow section column under tension

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Frontiers of Structural and Civil Engineering 2024年第4期18卷 568-586页

作者： Fu-Wei WU Yuan-Qi LI Department of Structural Engineering Tongji UniversityShanghai 200092China State Key Laboratory of Disaster Reduction in Civil Engineering Tongji UniversityShanghai 200092China

The derivation and validation of analytical equations for predicting the tensile initial stiffness of threadfixed one-side bolts(TOBs),connected to enclosed rectangular hollow section(RHS)columns,is presented in this *** unknown stiffness components are considered:the TOBs connection and the enclosed RHS ***,the trapezoidal thread of TOB,as an equivalent cantilevered beam subjected to uniformly distributed loads,is analyzed to determine the associated *** on the findings,the thread-shank serial-parallel stiffness model of TOB connection is *** analysis of the tensile stiffness of the enclosed RHS face due to two bolt forces,the four sidewalls are treated as rotation constraints,thus reducing the problem to a two-dimensional plate *** to the load superposition method,the deflection of the face plate is resolved into three components under various boundary and load *** to the plate deflection theory of Timoshenko,the analytical solutions for the three deflections are derived in terms of the variables of bolt spacing,RHS thickness,height to width ratio,***,the validity of the above stiffness equations is verified by a series of finite element(FE)models of T-stub *** proposed component stiffness equations are an effective supplement to the component-based method.

关键词： initial stiffness component based method thread-fixed one-side bolt rectangular hollow sections analytical equation

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Deep learning for code generation: a survey

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science china(Information sciences) 2024年第9期67卷 5-40页

作者： Huangzhao ZHANG Kechi ZHANG Zhuo LI Jia LI Jia LI Yongmin LI Yunfei ZHAO Yuqi ZHU Fang LIU Ge LI Zhi JIN Key Lab of High Confidence Software Technologies (Peking University) Ministry of Education School of Computer science Peking University School of Computer science and Engineering Beihang University

In the past decade, thanks to the powerfulness of deep-learning techniques, we have witnessed a whole new era of automated code generation. To sort out developments, we have conducted a comprehensive review of solutions to deep learning-based code generation. In this survey, we generally formalize the pipeline and procedure of code generation and categorize existing solutions according to taxonomy from perspectives of architecture, model-agnostic enhancing strategy, metrics, and tasks. In addition, we outline the challenges faced by current dominant large models and list several plausible directions for future research. We hope that this survey may provide handy guidance to understanding, utilizing, and developing deep learning-based code-generation techniques for researchers and practitioners.

关键词： code generation automated software engineering deep learning large model artificial intelligence

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When quantum dots meet blue phase liquid crystal elastomers:visualized full-color and mechanically-switchable circularly polarized luminescence

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Light(science & Applications) 2024年第6期13卷 1210-1220页

作者： Shan Li Yuqi Tang Qingyan Fan Ziyuan Li Xinfang Zhang Jingxia Wang Jinbao Guo Quan Li Key Laboratory of Carbon Fibers and Functional Polymers Ministry of Educationand College of Materials Science and EngineeringBeijing University of Chemical Technology100029BeijingChina Institute of Advanced Materials and School of Chemistry and Chemical Engineering Southeast UniversityNanjing211189China Materials science Graduate Program Kent State UniversityKentOH44242USA CAS Key Laboratory of Bio-Inspired Materials and Interfacial sciences Technical Institute of Physics and ChemistryChinese Academy of Sciences100190BeijingChina

Polymer-based circularly polarized luminescence(CPL)materials with the advantage of diversified structure,easy fabrication,high thermal stability,and tunable properties have garnered considerable ***,adequate and precise tuning over CPL in polymer-based materials remains challenging due to the difficulty in regulating chiral ***,visualized full-color CPL is achieved by doping red,green,and blue quantum dots(QDs)into reconfigurable blue phase liquid crystal elastomers(BPLCEs).In contrast to the CPL signal observed in cholesteric liquid crystal elastomers(CLCEs),the chiral 3D cubic superstructure of BPLCEs induces an opposite CPL ***,this effect is entirely independent of photonic bandgaps(PBGs)and results in a high glum value,even without matching between PBGs and the emission bands of ***,the lattice structure of the BPLCEs can be reversibly switched via mechanical stretching force,inducing on-off switching of the CPL signals,and these variations can be further fixed using dynamic disulfide bonds in the ***,the smart polymer-based CPL systems using the BPLCEs for anti-counterfeiting and information encryption have been demonstrated,suggesting the great potential of the BPLCEs-based CPL active materials.

关键词： circular quantum crystal

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Multi-instance partial-label learning: towards exploiting dual inexact supervision

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science china(Information sciences) 2024年第3期67卷 48-61页

作者： Wei TANG Weijia ZHANG Min-Ling ZHANG School of Computer science and Engineering Southeast University Key Laboratory of Computer Network and Information Integration (Southeast University) Ministry of Education School of Information and Physical sciences The University of Newcastle

Weakly supervised machine learning algorithms are able to learn from ambiguous samples or labels, e.g., multi-instance learning or partial-label learning. However, in some real-world tasks, each training sample is associated with not only multiple instances but also a candidate label set that contains one groundtruth label and some false positive labels. Specifically, at least one instance pertains to the ground-truth label while no instance belongs to the false positive labels. In this paper, we formalize such problems as multi-instance partial-label learning(MIPL). Existing multi-instance learning algorithms and partial-label learning algorithms are suboptimal for solving MIPL problems since the former fails to disambiguate a candidate label set, and the latter cannot handle a multi-instance bag. To address these issues, a tailored algorithm named MIPLGP, i.e., multi-instance partial-label learning with Gaussian processes, is *** first assigns each instance with a candidate label set in an augmented label space, then transforms the candidate label set into a logarithmic space to yield the disambiguated and continuous labels via an exclusive disambiguation strategy, and last induces a model based on the Gaussian processes. Experimental results on various datasets validate that MIPLGP is superior to well-established multi-instance learning and partial-label learning algorithms for solving MIPL problems.

关键词： machine learning multi-instance partial-label learning multi-instance learning partial-label learning Gaussian processes

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Interfacial reinforcement of core-shell HMX@energetic polymer composites featuring enhanced thermal and safety performance

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Defence Technology（防务技术） 2024年第1期31卷 387-399页

作者： Binghui Duan Hongchang Mo Bojun Tan Xianming Lu Bozhou Wang Ning Liu Xi'an Modern Chemistry Research Institute Xi'an710065People's Republic of China State Key Laboratory of Fluorine&Nitrogen Chemicals Xi'an710065People's Republic of China

The weak interface interaction and solid-solid phase transition have long been a conundrum for 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane(HMX)-based polymer-bonded explosives(PBX).A two-step strategy that involves the pretreatment of HMX to endow—OH groups on the surface via polyalcohol bonding agent modification and in situ coating with nitrate ester-containing polymer,was proposed to address the *** types of energetic polyether—glycidyl azide polymer(GAP)and nitrate modified GAP(GNP)were grafted onto HMX crystal based on isocyanate addition reaction bridged through neutral polymeric bonding agent(NPBA)*** morphology and structure of the HMX-based composites were characterized in detail and the core-shell structure was *** grafted polymers obviously enhanced the adhesion force between HMX crystals and fluoropolymer(F2314)*** to the interfacial reinforcement among the components,the two HMX-based composites exhibited a remarkable increment of phase transition peak temperature by 10.2°C and 19.6°C with no more than 1.5%shell content,***,the impact and friction sensitivity of the composites decreased significantly as a result of the barrier produced by the grafted *** findings will enhance the future prospects for the interface design of energetic composites aiming to solve the weak interface and safety concerns.

关键词： HMX crystals Polyalcohol bonding agent Energetic polymer Core-shell structure Interfacial reinforcement

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Effect of granular shape on radial segregation in a two-dimensional drum

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Chinese Physics B 2024年第4期33卷 509-514页

作者：徐悦李然迟志鹏修文正孙其诚杨晖 School of Optical-Electrical and Computer Engineering University of Shanghai for Science and TechnologyShanghai 200093China School of Electrical and Electronic Engineering Shandong University of TechnologyZibo 255049China State Key Laboratory of Hydroscience and Engineering Tsinghua UniversityBeijing 100084China College of Medical Instruments Shanghai University of Medicine and Health SciencesShanghai 201318China

Granular segregation is widely observed in nature and *** research has focused on segregation caused by differences in the size and density of spherical ***,due to the fact that grains typically have different shapes,the focus is shifting towards shape *** this study,experiments are conducted by mixing cubic and spherical *** results indicate that spherical grains gather at the center and cubic grains are distributed around them,and the degree of segregation is *** experiments,a structured analysis of local regions is conducted to explain the inability to form stable segregation patterns with obviously different geometric ***,through simulations,the reasons for the central and peripheral distributions are explained by comparing velocities and the number of collisions of the grains in the flow layer.

关键词： granular materials cubic grains shape segregation segregation mechanism

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Kármán vortex street in a spin–orbit-coupled Bose–Einstein condensate with PT symmetry

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Chinese Physics B 2024年第6期33卷 289-296页

作者：邵凯花席保龙席忠红涂朴王青青马金萍赵茜石玉仁 College of Physics and Electronic Engineering Northwest Normal UniversityLanzhou 730070China College of Physics and Hydropower Engineering Gansu Normal College For NationalitiesHezuo 747000China College of Intelligent Manufacturing Sichuan University of Arts and ScienceDazhou 635000China

The dynamics of spin–orbit-coupled Bose–Einstein condensate with parity-time symmetry through a moving obstacle potential is simulated numerically. In the miscible two-component condensate, the formation of the Kármán vortex street is observed in one component, while ‘the half-quantum vortex street' is observed in the other component. Other patterns of vortex shedding, such as oblique vortex dipoles, V-shaped vortex pairs, irregular turbulence, and combined modes of various wakes, can also be found. The ratio of inter-vortex spacing in one row to the distance between vortex rows is approximately0.18, which is less than the stability condition 0.28 of classical fluid. The drag force acting on the obstacle potential is simulated. The parametric regions of Kármán vortex street and other vortex patterns are calculated. The range of Kármán vortex street is surrounded by the region of combined modes. In addition, spin–orbit coupling disrupts the symmetry of the system and the gain-loss affects the local particle distribution of the system, which leads to the local symmetry breaking of the system, and finally influences the stability of the Kármán vortex street. Finally, we propose an experimental protocol to realize the Kármán vortex street in a system.

关键词： Kármán vortex street Bose–Einstein condensate spin–orbit-coupled parity-time symmetry

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Zero-Dynamics Attacks for Multi-Agent Systems Without Velocity Measurements

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Journal of Systems science & Complexity 2024年第5期37卷 1809-1831页

作者： GAO Jinming WANG Yijing ZUO Zhiqiang ZHANG Wentao Tianjin Key Laboratory of Intelligent Unmanned Swarm Technology and System School of Electrical and Information EngineeringTianjin UniversityTianjin 300072China Continental-NTU Corporate Lab School of Electrical and Electronic EngineeringNanyang Technological UniversitySingapore 639798Singapore

This paper studies the periodic zero-dynamics attacks(ZDAs)in multi-agent systems without velocity measurements under directed ***,two types of attack modes are addressed,i.e.,infinite number and finite number of zero-dynamics *** the former case,the authors show that the consensus of the considered system cannot be *** the latter case,the dynamic evolution of the agents is investigated and it is found that only attacking the rooted agents can destroy the ***,a sufficient condition which quantifies whether or not the consensus value is destroyed is given,revealing the relationship among parameters of system model,filter and attack ***,simulations are carried out to verify the effectiveness of the theoretical findings.

关键词： Consensus directed graph multi-agent systems zero-dynamics attacks

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Random Green's Function Method for Large-Scale Electronic Structure Calculation

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Chinese Physics Letters 2024年第5期41卷 23-29页

作者：汤明发刘畅张爱霞张青云翟佳羽袁声军柯友启 School of Physical science and Technology ShanghaiTech UniversityShanghai 201210China Xiaogan Sichuang Information Technology Co. LTDXiaogan 432000China Institute of Mathematical sciences ShanghaiTech UniversityShanghai 201210China Key Laboratory of Artificial Micro-and Nano-structures of Ministry of Education and School of Physics and TechnologyWuhan UniversityWuhan 430072China Wuhan Institute of Quantum Technology Wuhan 430206China

We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.

关键词： calculation function method

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