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Electronic structure and carrier mobility of BSb nanotubes

Chinese Physics B 2025年第3期34卷 183-188页

作者： Lantian Xue Chennan Song Miaomiao Jian Qiang Xu Yuhao Fu Pengyue Gao Yu Xie State Key Laboratory of High Pressure and Superhard Materials College of PhysicsJilin UniversityChangchun 130012China Key Laboratory of Material Simulation Methods&Software of Ministry of Education College of PhysicsJilin UniversityChangchun 130012China Key Laboratory of Physics and Technology for Advanced Batteries of Ministry of Education College of PhysicsJilin UniversityChangchun 130012China

High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory *** we systematically investigated the electronic properties of single-walled boron antimonide(BSb)nanotubes using first-principles *** observed that rolling the hexagonal boron antimonide monolayer into armchair(ANT)and zigzag(ZNT)nanotubes induces compression and wrinkling effects,significantly modifying the band structures and carrier mobilities through band folding andπ^(*)-σ^(*)*** the chiral index increases,the band gap and carrier mobility of ANTs decrease monotonically,where electron mobility consistently exceeds hole *** contrast,ZNTs exhibit a more complex trend:the band gap first increases and then decreases,and the carrier mobility displays oscillatory *** particular,both ANTs and ZNTs could exhibit significantly higher carrier mobilities compared to hexagonal monolayer and zinc-blende BSb,reaching 10^(-3)-10^(-7) cm^(-2)·V^(-1)·s^(-1).Our findings highlight strong curvature-induced modifications in the electronic properties of single-walled BSb nanotubes,demonstrating the latter as a promising candidate for high-performance electronic devices.

关键词： ab initio calculations nanotubes electronic structure carrier mobility

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Evidence of microstructural evolution linked to non-monotonic distribution of micromechanical properties induced by shot peening

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材料科学技术（英文版） 2025年第4期207卷 238-245页

作者： Guoxin Lu Qiang Wang Bonnie Attard Huhu Su Shijian Zheng Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials Ministry of EducationSchool of Materials Science and EngineeringShandong UniversityJinan250061China Aviation Key Laboratory of Science and Technology on Advanced Corrosion and Protection for Aviation Material AECC Beijing Institute of Aeronautical MaterialsBeijing100095China Department of Metallurgy and Materials Engineering University of MaltaMSD2080Malta Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology School of Materials Science and EngineeringHebei University of TechnologyTianjin300130China

The residual stress field induced by surface strengthening processes such as mechanical shot peening and other forms of plastic deformation does not generally exhibit a simple"monotonic"distribution *** researchers have analyzed this fact from a mechanical perspective based on Hertz ***,the micro/nano-scale microstructural changes corresponding to the distribution of residual stress fields still appear to be *** this study,we focused on a widely used material in aviation manufacturing,namely nickel-based superalloy GH4169,as our experimental *** subjected GH4169 alloy to me-chanical strengthening treatment using a shot peening intensity of 0.25 mmA,followed by quantitative testing of micromechanical performance indicators such as microhardness and residual *** thor-oughly investigate the relationship between micromechanical properties and microstructure changes,we utilized transmission electron microscopy(TEM)to observe and analyze shot-peened materials at differ-ent *** findings revealed that the most severe microstructural distortion induced by mechanical shot peening in GH4169 alloy was likely to occur within a depth range of 25 to 75 *** observation aligns with the actual phenomenon that the maximum microhardness and maximum residual compres-sive stress did not manifest on the outermost surface of the *** presenting a detailed analysis of deformation defects such as dislocations,stacking faults,and twinning in different depths of mechan-ically strengthened layers,our study contributes to a deeper understanding and practical application of post-processing technologies based on plastic deformation.

关键词： Mechanical shot peening Surface strengthening Residual stress Microstructure

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Activating lithium storage in 2D CaSi_(2) anode via enhancing pseudocapacitive properties with oxygen modification engineering

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Nano Research 2025年第4期18卷 199-206页

作者： Yongzheng Zhang Lu Sun Kailin Yang Youwang Ye Liang Zhan Qi Wei Jianan Gu Institute of Energy Power Innovation North China Electric Power UniversityBeijing 100096China State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China State Key Laboratory of Mesoscience and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Aviation Key Laboratory of Science and Technology on Advanced Surface Engineering AVIC Manufacturing Technology InstituteBeijing 100024China

Silicon(Si)has emerged as a promising anode material for lithium-ion batteries(LIBs)due to its extremely high theoretical capacity of 4200 mAh·g^(-1).However,its practical application is limited by several critical challenges,including severe volume expansion and poor electrical ***,we employ a two-dimensional(2D)oxygen modification engineering approach to fabricate 2D oxygen-functionalized CaSi_(2)(CaSi_(2)O_(x))*** the preparation of 2D CaSi_(2) layers,O atoms are gradually incorporated onto their *** resulting 2D CaSi_(2)O_(x) layers have a thickness of 3-5 nm,closely matching the theoretical thickness of 6-10 *** used as lithium anodes,the 2D CaSi_(2)O_(x) layers exhibit exceptional electrochemical performance,maintaining stability over 3000 cycles at an ultrahigh current density of 30 A·g^(-1).By tailoring the surface properties,their pseudocapacitive charge storage mechanism is significantly enhanced,effectively overcoming the intrinsic limitations of traditional Si *** study highlights the promise of 2D surface engineering in the development of advanced materials for next-generation LIBs.

关键词： two-dimensional(2D)CaSi_(2)O_(x) Si anode volume change pseudocapacitive surface modification lithium storage

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Experimental determination of stripping foil thickness on the XiPAF synchrotron

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Nuclear Science and Techniques 2025年第3期36卷 27-37页

作者： Xiao-Yu Liu Hong-Juan Yao Shu-Xin Zheng Ze-Jiang Wang Yang Xiong Pei-Zhi Fang Zhong-Ming Wang Key Laboratory of Particle&Radiation Imaging Tsinghua UniversityBeijing 100084China Laboratory for Advanced Radiation Sources and Application Tsinghua UniversityBeijing 100084China Department of Engineering Physics Tsinghua UniversityBeijing 100084China National Key Laboratory of Intense Pulsed Radiation Simulation and Effect Northwest Institute of Nuclear TechnologyXi’an 710024China

Stripping injection overcomes the limitations of Liouville's theorem and is widely used for beam injection and accumulation in high-intensity *** interaction between the stripping foil and beam is crucial in the study of stripping injection,particularly in low-energy stripping injection synchrotrons,such as the XiPAF *** foil thickness is the main parameter that affects the properties of the beam after *** thin stripping foil is reinforced with collodion during its ***,the collodion on the foil surface makes it difficult to determine its equivalent thickness,because the mechanical measurements are not sufficiently reliable or convenient for continuously determining foil *** propose an online stripping foil thickness measurement method based on the ionization energy loss effect,which is suitable for any foil thickness and does not require additional *** studies were conducted using the XiPAF *** limitation of this method was examined,and the results were verified by comparing the experimentally obtained beam current accumulation curves with the simulation *** confirms the accuracy and reliability of the proposed method for measuring the stripping foil thickness.

关键词： Stripping injection Foil thickness Synchrotron Injection efficiency Experimental study

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An Approach to Optimize the Mechanical Properties of Cylindrical Negative Stiffness Structures

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ce/papers 2025年第2期8卷 1078-1086页

作者： Liu, Xin Tan, Xiaojun Wang, Bing National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin150080 China School of Civil Aviation Northwestern Polytechnical University Xi'an710072 China

Negative stiffness (NS) structure, as a type of mechanical metamaterial, possess numerous excellent properties and has broad potential applications in areas such as impact energy absorption, vibration damping, and noise reduction. However, their energy absorption efficiency is not high. Typically, incorporating fillers into honeycomb structures proves to be an effective strategy for augmenting the mechanical properties of honeycomb materials. In this study, we propose a model for a filled cylindrical NS structure (CNS), where the fillers are treated as springs to facilitate finite element simulation. Subsequently, we further investigate the fundamental mechanical properties and energy dissipation capacity of unfilled CNS structures as well as filled CNS structures employing distinct types of fillers, including linear elastic and viscoelastic fillers. The results indicate that linear elastic fillers do not have a positive impact on improving the energy dissipation capacity of CNS structures but can be used to adjust the response curve. When viscoelastic fillers are filled inside the CNS structure, they can effectively enhance the strength and energy dissipation capacity of the CNS structure. Moreover, the approach presented in this investigation holds significant reference value for the design of various mechanical metamaterials based on NS structures. © 2025 Ernst & Sohn GmbH.

关键词： Honeycomb structures

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Modulation of the octahedral structure and potential superconductivity of La_(3)Ni_(2)O_(7)through strain engineering

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Science China(Physics,Mechanics & Astronomy) 2025年第3期68卷 145-152页

作者： Zihao Huo Zhihui Luo Peng Zhang Aiqin Yang Zhengtao Liu Xiangru Tao Zihan Zhang Shumin Guo Qiwen Jiang Wenxuan Chen Dao-Xin Yao Defang Duan Tian Cui Key Laboratory of Material Simulation Methods&Software of Ministry of Education State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun130012China Center for Neutron Science and Technology Guangdong Provincial Key Laboratory of Magnetoelectric Physics and DevicesState Key Laboratory of Optoelectronic Materials and TechnologiesSchool of PhysicsSun Yat-sen UniversityGuangzhou510275China MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic PhysicsSchool of PhysicsXi’an Jiaotong UniversityXi’an710049China Institute of High Pressure Physics School of Physical Science and TechnologyNingbo UniversityNingbo315211China

The recent transport measurements of La_(3)Ni_(2)O_(7)uncovered a“right-triangle”shape of the superconducting dome in the pressure-temperature(P-T)phase *** by this,we perform theoretical first-principles studies of La_(3)Ni_(2)O_(7)with the pressure ranging from 0 to 100 ***,we reveal a pressure dependence of the Ni-d_(z^(2))electron density at the Fermi energy(n_(z)^(E_(F)))that highly coincides with such *** this basis,we further explore the electronic structure under uniaxial *** tracking the stress response of n_(z)^(E_(F)),we propose that superconductivity can be achieved by applying only ~2GPa of compression along the c *** idea is further exemplified from the perspectives of lattice distortion,band structure,Fermi surface and superconducting phase *** also discuss the possible charge modulation under the stress and provide an insight into the relation between nz E Fand the superconducting T_(c)in La_(3)Ni_(2)O_(7)*** study provides new routes to the search of high-T_(c)superconductors in future experiments.

关键词： nickelate superconductors density functional theory strong correlated systems strain engineering

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A Grey Wolf Optimizer Variant with Weighted-leader Strategy 24

A Grey Wolf Optimizer Variant with Weighted-leader Strategy

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3rd International Conference on Signal Processing, Computer Networks and Communications, SPCNC 2024

作者： Liang, Yajun Yan, Su Ma, Qian Huang, Shunlun Liu, Xin China Aerodynamics Research & Development Center Sichuan Mianyang China Science and Technology on Complex Aviation Systems Simulation Laboratory Beijing China State Key Laboratory of Air Traffic Management System Beijing China Beijing Aviation Meteorological Institute Beijing China

ISBN: (纸本)9798400710834

To enhance the convergence capability of grey wolf optimizer (GWO), this research investigates an evolved GWO using weighted-leader strategy (WLS), namely WLSGWO. The key issue of WLS is realizing the adaptive adjustment of position weighting according to the control parameters, thus well overcoming the drawback of premature convergence in the basic GWO. The newly developed method’s performance is assessed through experiments conducted on a standardized test suite. Additionally, comparisons are made by utilizing GWO alongside other advanced optimization techniques. The results of non-parametric studies validate the outperformance of the WLSGWO, thus proving the efficiency of the proposed strategy. © 2024 Copyright held by the owner/author(s).

关键词： Swarm intelligence

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Prediction of New Functional Fluorooxoborates with Expected Anionic Framework:A Case of CaB_(3)O_(5)F

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Chinese Physics Letters 2025年第3期42卷 85-92页

作者： Ke-Wang Zhang Wen-Qi Jin Ke Li Abudukadi Tudi Lin-Lin Liu Cong-Wei Xie Yu Xie Research Center for Crystal Materials CAS Key Laboratory of Functional Materials and Devices for Special Environmental ConditionsXinjiang Key Laboratory of Functional Crystal MaterialsXinjiang Technical Institute of Physics&ChemistryCASUrumqi 830011China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Key Laboratory of Materials Simulation Methods&Software of Ministry of Education International Center of Future ScienceKey Laboratory of Physics and Technology for Advanced Batteries(Ministry of Education)College of PhysicsJilin UniversityChangchun 130012China

The prediction of new fluorooxoborates as ultraviolet(UV)/deep ultraviolet(DUV)opto-electronic functional materials from a largely unexplored chemical space is a challenging *** has been suggested that the anionic frameworks formed by B–O and B–O–F units significantly determine the physical properties of ***,the rational design of anionic frameworks could facilitate the materials discovery ***,we propose that a candidate anionic framework can be efficiently derived from an existing one by slightly altering its oxygen *** this idea,we hypothesized the existence of a 1D[B_(3)O_(5)F]_(∞)chain from the wellknown 2D[B_(6)O_(9)F_(2_)]_(∞)***,seven CaB_(3)O_(5)F structures with the expected anionic framework were successfully ***-principles calculations show that all these structures have potential in the UV/DUV birefringent or nonlinear optical(NLO)material field,indicating that the 1D[B_(3)O_(5)F]_(∞)chain is indeed a promising anionic framework for achieving UV/DUV birefringent and NLO performance.

关键词： process borate anionic

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A multi-strategy enhanced moth-flame optimization algorithm for complex inverse kinematics problems in series robots

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Cluster Computing 2025年第5期28卷 1-37页

作者： Liu, Jianlin Huang, Haisong Fan, Qingsong Ma, Chi Key Laboratory of Advanced Manufacturing Technology Ministry of Education Guizhou University Guizhou Guiyang550025 China Guizhou Equipment Manufacturing Digital Workshop Modeling and Simulation Engineering Research Center Guizhou Guiyang550025 China State Key Laboratory of Intelligent Manufacturing Equipment and Technology Huazhong University of Science and Technology Wuhan430074 China School of Institute of Automotive Engineers Hubei University of Automotive Technology Shiyan442002 China

In this study of optimizing the dynamic characteristics of the manipulator, with the increase of motion redundancy, the complexity of solving the inverse motion problem increases significantly, making it extremely challenging to develop a general analytical solution algorithm. To address this challenge, this paper introduces a multi-strategy enhanced moth-flame optimization algorithm, DMFO. Firstly, the uneven initialization of MFO limits its comprehensive initial search capability and leads to slow convergence speed. Consequently, it lacks competitiveness in specific engineering problems. The mutation chaos strategy, quantum evolution strategy and precise elimination strategy are used to improve the formation of DMFO. Secondly, DMFO and eight meta-heuristic algorithms (GA, PSO, ABC, MFO, DE, WO, BKA, COA) are tested on CEC2017, demonstrating its superior local and global exploitation and exploration capabilities. Then these kinematics models of 4,6,7-DOF manipulators is established based on DH method, and the objective function is derived from the forward motion equation. The effectiveness of DMFO in solving the inverse kinematics of robot arms is validated through its application. Finally, the engineering verification is carried out on the manipulator UR16e, which highlights the success of DMFO in addressing the inverse motion problem of multi-DOF serial robots. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2024.

关键词： Inverse kinematics

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Effect of suction leading edge vortex generator on characteristics of compressor cascade

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Hangkong Dongli Xuebao/Journal of Aerospace Power 2025年第5期40卷

作者： Xu, Wenfeng Zou, Shilong Sun, Dan Lu, Wenxin Ren, Guozhe Zhao, Huan Liaoning Key Laboratory of Advanced Measurement and Test Technology for Aviation Propulsion System School of Aero-engine Shenyang Aerospace University Shenyang110136 China

A compressor linear cascade was studied，and vortex generators were arranged near the suction leading edge of the end wall to improve the stator aerodynamic characteristic and control the corner separation. The effects of the vortex generators with different heights，lengths，and pitch positions on the corner separation flow and aerodynamic characteristics were studied by numerical simulation. The results showed that the suction leading edge vortex generator can generate the induced vortex near the end wall of the passage inlet， which inhibited the accumulation of low-energy fluids in the corner region，shifted the separation starting point backward，and narrowed the corner region along the pitch direction，thereby reducing the flow loss. The vortex generator should be arranged at the starting position of the corner separation. The control effect of the corner separation first increased and then decreased with the increase of the height of the vortex generator. With the increase of the chord of the vortex generator，it gradually decreased. As the arrangement position was far away from the suction，it first increased and then decreased. When the vortex generator was arranged at the boundary between the end wall recirculation region and the mainstream region，the chord was equal to 25% of the blade chord，and the height was equal to 2% of the blade height，the flow loss can be reduced by 10.3%. © 2025 Beijing University of Aeronautics and Astronautics (BUAA). All rights reserved.

关键词： Airships

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