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Machine Learning-Based Comprehensive Prediction Model for L1_(2) Phase-Strengthened Fe-Co-Ni-Based High-Entropy Alloys

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Acta Metallurgica Sinica(English Letters) 2024年第11期37卷 1858-1874页

作者： Xin Li Chenglei Wang Laichang Zhang Shengfeng Zhou Jian Huang Mengyao Gao Chong Liu Mei Huang Yatao Zhu Hu Chen Jingya Zhang Zhujiang Tan School of Materials Science and Engineering Guangxi Key Laboratory of Information MaterialsEngineering Research Center of Electronic Information Materials and DevicesMinistry of EducationGuilin University of Electronic TechnologyGuilin541004China Centre for Advanced Materials and Manufacturing School of EngineeringEdith Cowan University270 Joondalup DriveJoondalupPerthWA6027Australia Institute of Advanced Wear and Corrosion Resistance and Functional Materials Jinan UniversityGuangzhou510632China The 34t Research Institute of China Electronics Technology Group CorporationGuilin541004China

L1_(2)phase-strengthened Fe-Co-Ni-based high-entropy alloys(HEAs)have attracted considerable attention due to their excellent mechanical *** the properties of HEAs through conventional experimental methods is ***,a new method is needed to predict the properties of alloys quickly and *** this study,a comprehensive prediction model for L1_(2)phase-strengthened Fe-Co-Ni-based HEAs was *** existence of the L1_(2)phase in the HEAs was first predicted.A link was then established between the microstructure(L1_(2)phase volume fraction)and properties(hardness)of HEAs,and comprehensive prediction was ***,two mutually exclusive properties(strength and plasticity)of HEAs were coupled and *** Shapley additive explained algorithm was also used to interpret the contribution of each model feature to the comprehensive properties of *** vast compositional and process search space of HEAs was progressively screened in three stages by applying different prediction ***,four HEAs were screened from hundreds of thousands of possible candidate groups,and the prediction results were verified by *** this work,L1_(2)phase-strengthened Fe-Co-Ni-based HEAs with high strength and plasticity were successfully *** new method presented herein has a great cost advantage over traditional experimental *** is also expected to be applied in the design of HEAs with various excellent properties or to explore the potential factors affecting the microstructure/properties of alloys.

关键词： High-entropy alloy Machine learning L1_(2)phase Comprehensive prediction Shapley additive explanation(SHAP)

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Designing artificial ion channels with strict K+/Na+ selectivity toward next-generation electric-eel-mimetic ionic power generation

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National science Review 2023年第12期10卷 193-202页

作者： Jipeng Li Linhan Du Xian Kong Jianzhong Wu Diannan Lu Lei Jiang Wei Guo State Key Laboratory of Marine Resource Utilization in South China Sea School of Materials Science and Engineering Hainan University Department of Chemical Engineering Tsinghua University South China Advanced Institute for Soft Matter Science and Technology Guangdong Provincial Key Laboratory of Functional and Intelligent Hybrid Materials and Devices School of Emergent Soft MatterSouth China University of Technology Department of Chemical and Environmental Engineering University of California Research Institute for Frontier Science Beihang University Center for Quantum Physics and Intelligent Sciences Department of Physics Capital Normal University

A biological potassium channel is> 1000 times more permeable to K+than to Na+and exhibits a giant permeation rate of ～10～8 ions/*** is a great challenge to construct artificial potassium channels with such high sele ctivity and ion conduction ***,we unveil a long-overlo oked structural feature that underpins the ultra-high K+/Na+*** carrying out massive molecular dynamics simulation for ion transport through carbonyl-oxygen-modified bi-layer graphene nanopores,we find that the twisted carbonyl rings enable strict potassium selectivity with a dynamic K+/Na+selectivity ratio of 1295 and a K+conduction rate of 3.5 × 10～7 ions/s,approaching those of the biological ***,atomic trajectories of K+permeation events suggest a dual-ion transport mode,*** like-charged potassium ions are successively captured by the nanopores in the graphene bi-layer and are interconnected by sharing one or two interlayer water *** dual-ion behavior allows rapid release of the exiting potassium ion via a soft knock-on mechanism,which has previously been found only in biological ion *** a proof-of-concept utilization of this discovery,we propose a novel way for ionic power generation by mixing KCl and NaCl solutions through the bi-layer graphene nanopores,termed potassium-permselectivity enabled osmotic power generation（PoPee-OP G）.Theoretically,the biomimetic device achieves a very high power density of> 1000 W/m2with graphene sheets of <1% *** study provides a blueprint for artificial potassium channels and thus paves the way toward next-generation electric-eel-mimetic ionic power generation.

关键词： artificial ion channel bi-layer graphene dehydrated ion transport bio-inspired materials energy conversion

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Enhancing performance of fullerene-based organic electrochemical transistors via side-chain engineering

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Nano Research 2025年第2期18卷 905-912页

作者： Wenxin Fang Zijie Li Chengdong Wang Xiaowei Zhao Junyu Li Gang Ye Fengwei Huo Li Qiu Yanxi Zhang Wei Huang Institute of Flexible Electronics(IFE Future Technologies)Xiamen UniversityXiamen 361005China Yunnan Key Laboratory of Electromagnetic Materials and Devices National Center for International Research on Photoelectric and Energy MaterialsSchool of Materials and EnergyYunnan UniversityKunming 650091China Sinopec Shanghai Research Institute of Petrochemical Technology Shanghai 201028China Key Laboratory for the Green Preparation and Application of Functional Materials Hubei Key Laboratory of Polymer MaterialsSchool of Materials Science and EngineeringHubei UniversityWuhan 430062China Key Laboratory of Flexible Electronics(KLOFE)&Institute of Advanced Materials(IAM) Jiangsu National Synergetic Innovation Center for Advanced Materials(SICAM)Nanjing Tech University(NanjingTech)Nanjing 211800China Frontiers Science Center for Flexible Electronics MIIT Key Laboratory of Flexible Electronics(KLoFE)Northwestern Polytechnical UniversityXi'an 710072China

The performance of organic electrochemical transistors(OECTs)relies on the interaction between organic semiconductors and ***,hydrophilic ethylene glycol(EG)side chains are incorporated into organic semiconductors to improve the channel’s capacity to absorb ***,the EG substituted organic semiconductors tend to swell when immersed in aqueous electrolytes and exhibit microstructural changes induced by dopant *** our research,we introduce an alkyl spacer to create distance between the fullerene and EG *** approach is designed to reduce the negative effects of swelling and balance the ion and electron *** conducted an analysis of OECTs using four fullerene derivatives:no alkyl spacer,butyl,hexyl,and octyl *** OECTs based on fullerene derivatives with butyl and hexyl spacers exhibit enhanced transconductance(g_(m)=11.8 and 19.4 mS)compared to the ones without alkyl *** has also been observed that the butyl and hexyl spacers lead to a more than tenfold increase in volumetric *** increasing the alkyl spacer(octyl group)leads to no transistor *** study uncovers the relationship between alkyl spacers and the performance of OECTs based on fullerene *** will serve as a guideline for designing n-type small molecules for ***,we showcased the potential of utilizing OECTs based on these fullerene derivatives in cation sensing,which is promising for developing sweat sensors.

关键词： organic electrochemical transistors fullerene derivatives ethylene glycol side chains ion and electron conduction

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Magnetoresistance anomaly in Fe_(5)GeTe_(2)homo-junctions induced by its intrinsic transition

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Nano Research 2023年第7期16卷 10443-10450页

作者： Ruijie Zhao Yanfei Wu Shaohua Yan Xinjie Liu He Huang Yang Gao Mengyuan Zhu Jianxin Shen Shipeng Shen Weifeng Xu Zeyu Zhang Liyuan Zhang Jingyan Zhang Xinqi Zheng Hechang Lei Ying Zhang Shouguo Wang School of Materials Science and Engineering Beijing Advanced Innovation Center for Materials Genome EngineeringUniversity of Science and Technology BeijingBeijing 100083China Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices Renmin University of ChinaBeijing 100872China School of Materials Science and Engineering Anhui UniversityHefei 230601China Institute of Advanced Materials Beijing Normal UniversityBeijing 100875China Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of SciencesBeijing 100190China

Two-dimensional van der Waals(2D vdW)magnets have attracted great attention recently and possess the unprecedented advantages of incorporating high-quality vdW heterostructures and homostructures into spintronic devices,and exploring various physical phenomena or *** them,Fe_(5)GeTe_(2)(F5GT)has ferromagnetic order close to room temperature,however the magnetic properties near its intrinsic transitions and F5GT-based 2D devices remain mostly ***,we systematically demonstrate the peculiar magnetic properties of Fe_(5)GeTe_(2)nanoflakes near its intrinsic transition temperature(Tp)which is far lower than its Curie temperature(TC)of~265 K,and firstly discover anomalous magnetoresistance effect in F5GT homo-junctions by magneto-transport *** strongest anomalous Hall effect occurs around Tp which is located in a temperature range from 130 to 160 K for the F5GT nanoflakes with different ***,negative magnetoresistance(N-MR)and butterfly-shaped magnetoresistance(B-MR)are observed in F5GT homo-junction devices,and they appeared only in an intermediate temperature range from 110 to 160 K,noticeably showing the maxima near the T_(p)rather than the lowest *** experimental results clearly reveal the significant influence of intrinsic transitions on magnetic properties of F5GT and magnetoresistance effect in F5GT homo-junction devices,which imply a new strategy to achieve highperformance 2D spintronic devices by tuning intrinsic magnetic or structural transitions in 2D vdW magnets.

关键词： Two-dimensional(2D)van der Waals magnets Fe_(5)GeTe_(2) homo-junction magnetoresistance

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Eco-Friendly Microwave Absorption Metastructure: Design, Optimization, and Performance of Cpvm Based on Pla@Cf

SSRN

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SSRN 2024年

作者： Dong, Huaiyu Zhang, Yuhui Zhao, Pengzhen Lei, Han Yu, Chen Wang, Zhichen Huang, Yixing Beijing Key Laboratory of Lightweight Multi-functional Composite Materials and Structures Institute of Advanced Structure Technology Beijing Institute of Technology Beijing100081 China

To address the escalating issue of electromagnetic interference, creating a metastructure for thin, lightweight, wide, and strong electromagnetic wave absorption is essential. This paper introduces CPVM, a microwave absorption meta-structure inspired by the succulent plant Crassula perforate variegate in nature, featuring isotropic and broadband absorption performance. Following a eco-friendly design approach, the proposal involves using polylactic acid (PLA) and chopped carbon fibers(CF) as the matrix material and electromagnetic wave absorber for CPVM, respectively. This achieves lightweighting of the metamaterial and enhances the load-bearing performance of PLA. The PLA@CF composite material is processed into 3D printing filaments, enabling rapid specimen fabrication and significantly reducing production and development costs. Mechanical tests validate the outstanding tensile and flexural strength (80.5 MPa) as well as remarkable toughness of the proposed PLA@CF composite material. The optimization design of CPVM is efficiently accomplished using the Whale Optimization Algorithm (WOA), Deep Neural Networks (DNN), and Simulated Annealing (SA) algorithm. Reflectivity tests on CPVM reveal an effective bandwidth of 31.64 GHz within the 2-40 GHz frequency range, with a coverage rate of 83.3%. Additionally, CPVM demonstrates excellent electromagnetic wave absorption capabilities in the S and C bands. © 2024, The Authors. All rights reserved.

关键词： Deep neural networks

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Nanoindentation behavior and creep-induced cracking of long-term crept austenitic steel at 650℃

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Journal of Iron and Steel Research International 2024年第2期31卷 464-474页

作者： Zhen Zhang Yu-hang Duan Shuai Wang Jin-shan Chen An-zhe Wang Xiang-yang Mao Yuan-ji Shi Jie Zhang Ming Liu Zheng-fei Hu School of Materials Science and Engineering Nanjing Institute of TechnologyNanjing211167JiangsuChina Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology Nanjing211167JiangsuChina Jiangsu Wind Power Engineering Technology Center Nanjing210023JiangsuChina Nanjing Vocational University of Industry Technology Nanjing210023JiangsuChina Baoshan Iron&Steel Co. Ltd.Shanghai201900China Fujian Provincial Key Laboratory of Terahertz Functional Devices and Intelligent Sensing School of Mechanical Engineering and AutomationFuzhou UniversityFuzhou350116FujianChina School of Materials Science and Engineering Tongji UniversityShanghai201804China

The grain boundary(GB)damage of long-term crept HR3C(25Cr–20Ni–Nb–N)austenitic steel with solid solution state was investigated by nanoindentation test accompanied with in-situ electron back-scattered *** corresponding microstructure was characterized by scanning electron microscopy and transmission electron *** show that the increase in nanoindentation hardness at the GBs and triple grain junctions may be related to the dislocation accumulation and carbide growth during the *** M23C6 and dislocations piling-up at the GB accelerate the nucleation and coalescence of creep cavity along the *** nanoindentation hardness in grains varies with orientation of the stress *** orientation difference of neighbor grains may induce local high geometrically necessary dislocation densities and strain gradients near the GB,consequently causing stress concentration and subsequent crack growth at specific GBs.

关键词： Austenitic steel Creep Nanoindentation Grain orientation Creep-induced cracking

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A novel(Sm_(0.2)Eu_(0.2)Gd_(0.2)Ho_(0.2)Yb_(0.2))CrO_(3)high-entropy ceramic nanofiber as a negative temperature coefficient thermistor

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Journal of Rare Earths 2024年第10期42卷 1937-1942页

作者： Weijun Zhao Meng Zhang Liyan Xue Kaixian Wang Fan Yang Jiuping Zhong Heng Chen School of Materials Sun Yat-sen UniversityShenzhen518107China Xiamen Institute of Rare Earth Materials Haixi InstituteChinese Academy of SciencesXiamen361021China Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials Xiamen Institute of Rare Earth MaterialsHaixi InstituteChinese Academy of SciencesXiamen361021China Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou350108China Advanced Energy Science and Technology Guangdong Laboratory Huizhou516003China Sichuan Jcc Rare Earth Metals New Material Co. Ltd.Chengdu610000China

The electrical properties of high-entropy ceramics(HECs)have been extensively studied in recent years due to their unique structural characteristics and fascinating functional properties induced by entropy *** high-entropy(Sm_(0.2)Eu_(0.2)Gd_(0.2)Ho_(0.2)Yb_(0.2))CrO_(3)(HE-RECrO_(3))nanofibers were prepared by electro *** work demonstrates that HE-RECrO_(3)nanofibe rs were successfully synthesized at a low temperature(800℃),which is approximately 400℃lower than the temperatures at which chromate ceramics were synthesized via the sol-gel method and the solid-state reaction *** resistivity of HE-RECrO_(3)nanofibers decreases exponentially with increasing temperature from 25 to600℃.The logarithm of the resistivity is linearly related to the inverse of the temperature,confirming the negative temperature coefficient property of HE-RECrO_(3)*** B_(25/50)value of the HERECrO_(3)nanofibers reaches 4072 *** conclusion,HE-RECrO_(3)nanofibers are expected to be potential candidates for negative-temperature-coefficient(NTC)thermistors.

关键词： Rare earths High-entropy ceramics Ceramic fiber materials Negative temperature coefficient thermistors

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Observation of multiple surface states in naturally cleavable chiral crystal PdSbSe

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Physical Review Materials 2025年第3期9卷 L031201-L031201页

作者： Zhicheng Jiang Zhengtai Liu Chenqiang Hua Xiangqi Liu Yichen Yang Jianyang Ding Jiayu Liu Jishan Liu Mao Ye Shanghai Synchrotron Radiation Facility Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai 201210 China National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology University of Science and Technology of China Hefei 230026 China National Key Laboratory of Materials for Integrated Circuits Shanghai Institute of Microsystem and Information Technology (SIMIT) Chinese Academy of Sciences Shanghai 200050 China Zhejiang Province Key Laboratory of Quantum Technology and Device Department of Physics Zhejiang University Hangzhou 310027 China State Key Lab of Silicon Materials School of Materials Science and Engineering Zhejiang University Hangzhou 310027 China Beihang Hangzhou Innovation Institute Yuhang Xixi Octagon City Yuhang District Hangzhou 310023 China School of Physical Science and Technology ShanghaiTech University Shanghai 200031 China State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information Technology Chinese Academy of Sciences Shanghai 200050 China

Chiral multifold fermions in solids exhibit unique band structures and topological properties, making them ideal for exploring fundamental physical phenomena related to nontrivial topology, chirality, and symmetry breaking. However, the challenge of obtaining clean, flat surfaces through cleavage has hindered the investigation of their unique electronic states. In this study, we utilize high-resolution angle-resolved photoemission spectroscopy and density functional theory calculations to investigate the low-energy electronic structure of the cleavable single-crystal PdSbSe. Our combined experimental and theoretical analysis reveals the presence of multifold-degenerate fermions within this chiral crystal. We also observe multiple chiral Fermi arc surface states and spin-splitting behavior in the associated bulk bands. These findings provide unique insights into chiral, multifold fermionic states in easily cleavable crystals and offer a robust platform for further research into their unique electronic properties and potential applications in novel electronic devices.

关键词： Photoelectron spectroscopy

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Molten salt synthesis,morphology modulation,and lithiation mechanism of high entropy oxide for robust lithium storage

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Journal of Energy Chemistry 2023年第11期86卷 536-545,I0011页

作者： Xuefeng Liu Honghong Wang Long Dong Kezhuo Li Haijun Zhang Quanli Jia Shaowei Zhang Wen Lei The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina Henan Key Laboratory of High Temperature Functional Ceramics Zhengzhou UniversityZhengzhou 450052HenanChina College of Engineering Mathematics and Physical SciencesUniversity of ExeterExeter EX44QFUK Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin 300071China

High entropy oxides(HEOs)with ideal element tunability and enticing entropy-driven stability have exhibited unprecedented application potential in electrochemical lithium ***,the general control of dimension and morphology remains a major ***,scalable HEO morphology modulation is implemented through a salt-assisted strategy,which is achieved by regulating the solubility of reactants and the selective adsorption of salt ions on specific crystal *** electrochemical properties,lithiation mechanism,and structure evolution of composition-and morphology-dependent HEO anode are examined in *** importantly,the potential advantages of HEOs as electrode materials are evaluated from both theoretical and experimental *** from the high oxygen vacancy concentration,narrow band gap,and structure durability induced by the multi-element synergy,HEO anode delivers desirable reversible capacity and reaction *** particular,Mg is evidenced to serve as a structural sustainer that significantly inhibits the volume expansion and retains the rock salt *** new perspectives are expected to open a window of opportunity to compositionally/morphologi cally engineer high-performance HEO electrodes.

关键词： High-entropy oxide Lithium-ion battery anode Molten salt Morphology modulation Structure stability

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Green fabrication of nickel-iron layered double hydroxides nanosheets efficient for the enhanced capacitive performance

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Green Energy & Environment 2022年第5期7卷 1053-1061页

作者： Yuchen Wang Zuo Chen Man Zhang Yaoyu Liu Huixia Luo Kai Yan School of Environmental Science and Engineering Sun Yat-sen UniversityGuangzhou510275China Key Lab of Polymer Composite&Functional Materials School of Materials Science and EngineeringSun Yat-sen UniversityGuangzhou510275China Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology Guangzhou510275China

Rational synthesis of robust layered double hydroxides(LDHs) nanosheets for high-energy supercapacitors is full of ***,we reported an ultrasonication-assisted strategy to eco-friendly fabricate NiFe-LDHs nanosheets for the enhanced capacitive *** experimental results combined with different advanced characterization tools document that the utilization of ultrasonication has a profound effect on the morphology and thickness of the as-obtained NiFe-LDHs,alternatively affecting the capacitive *** shows that NiFe-LDHs nanosheets prepared with 2-h ultrasonic treatments display the exceptional capacitive performance because of the synergetic effect of ultrathin thickness,large specific surface area,and high mesoporous *** maximum specific capacitance of Ni_(3) Fe_(1)-LDHs nanosheets with the thickness of 7.39 nm and the specific surface area of 77.16 m~2 g^(-1) reached 1923 F g^(-1),which is competitive with most previously reported *** addition,the maximum specific energy of the assembled NiFe-LDHs//AC asymmetric supercapacitor achieved 49.13 Wh kg^(-1) at400 W kg^(-1).This work provides a green technology to fabricate LDHs nanosheets,and offers deep insights for understanding the relationship between the morphology/structure and capacitive behavior of LDHs nanosheets,which is helpful for achieving high-performance LDHs-based electrode materials.

关键词： performance double sheets

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