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Acta Metallurgica Sinica(English Letters) 2024年第6期37卷 1047-1065页

作者： Mengwei Wu Chunmei Ma Ruiping Liu Huadong Fu department of {1. science and Engineering China University of Mining and Technology(Beijing)Beijing100083China Institute for Advanced materials and Technology University of Science and Technology BeijingBeijing100083China

Improving the shape memory effect and superelasticity of Cu-based shape memory alloys(SMAs)has always been a research hotspot in many *** work systematically investigates the effects of Gyroid triply periodic minimal surface(TPMS)lattice structures with different unit sizes and volume fractions on the manufacturing viability,compressive mechanical response,superelasticity and heating recovery properties of CuAlMn *** results show that the increased specific surface area of the lattice structure leads to increased powder adhesion,making the manufacturability proportional to the unit size and volume *** compressive response of the CuAlMn SMAs Gyroid TPMS lattice structure is negatively correlated with the unit size and positively correlated with the volume *** superelastic recovery of all CuAlMn SMAs with Gyroid TPMS lattice structures is within 5%when the cyclic cumulative strain is set to be 1.%.The lattice structure shows the maximum superelasticity when the unit size is 3.00 mm and the volume fraction is 1.%,and after heating recovery,the total recovery strain increases as the volume fraction *** study introduces a new strategy to enhance the superelastic properties and expand the applications of CuAlMn SMAs in soft robotics,medical equipment,aerospace and other fields.

关键词： Shape memory alloys Superelasticity Gyroid triply periodic minimal surface(TPMS)lattice structure Selective laser melting(SLM)

Influence of erbium addition on microstructure and performances of AlSi1.Mg alloy prepared by selective laser melting

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Journal of Rare Earths 2024年第10期42卷 1988-1994页

作者： Bin Chen Fuzhu Wang Shiming Ren Peng Xia Zhipeng Wang Jianfei Hao Zhiping Chen Runxia Li Hongxiang Jiang Research Institute of Interdisciplinary science&School of {1. science and Engineering Dongguan University of TechnologyDongguan523808 China College of materials {1. and Engineering Shenzhen UniversityShenzhen518060China Shi-Changxu Innovation Center for Advanced materials Institute of Metal ResearchChinese Academy of SciencesShenyang1i0016China School of materials {1. and Engineering University of Science and Technology of ChinaShenyang110016China

The effect of rare earth addition on the microstructure and mechanical performances of as-cast and wrought Al alloys has been attracting increasing attention *** earth addition has great potential in modifying the structure and improving the properties of ***,there are currently few reports about the effect of rare earth addition on the microstructure and performances of Al alloys prepared via selective laser ***,AlSi1.Mg alloys were manufactured using selective laser melting,and the effect of Er addition was *** results indicate that Er addition leads toα-Al refinement and modifies the minority Si *** formation of the Al_(3)Er phase induced by Er addition enhances the stren gth of the *** of the Si phase also increases *** strategy can help improve the mechanical performance of alum inum alloys prepared via selective laser melting.

关键词： Aluminum alloy Selective laser melting Rare earths Er Microstructure Tensile performance

Possibility and stabilizing effect of Mo clusters in the Ni-based single-crystal superalloy

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Communications in Theoretical Physics 2024年第8期76卷 187-192页

作者： Yiqun Du Huixin Jin Rongkai Kang Boya Zhang Han Wang Jianxin Zhang Key Laboratory for Liquid-Solid Structural Evolution and Processing of materials(Ministry of Education) School of Materials Science and EngineeringShandong UniversityJinan 250061China department of {1. science and Technology Tokyo University of ScienceTokyo 1258585Japan

Nickel-based single-crystal superalloys are crucial materials for the preparation of aero-engine turbine blades. Many solute elements are added to superalloys for strengthening. However, the relationship between the clustering behavior of solute atoms and the properties of nickel-based single-crystal superalloys is still unclear. Herein, we conduct first-principles calculations onγ phases with Mo-Mo and Mo-Mo-Ru clusters to reveal the possibility and stabilizing mechanism of solute clusters. Introducing Mo lowers the total energy, binding energy, and formation energy of the γ phase due to the replacement of weak Ni-Ni interaction with strong Mo-Ni bonding. Note that the γ phase containing the Mo-Mo cluster is more stable than that containing a Mo single atom, possibly owing to a wide affecting range. The Ru atom added to the γ phase can further boost system stability, and it tends to form a Mo-Mo-Ru cluster. The stabilizing impact of the Mo-Mo-Ru cluster is demonstrated to be the replacement of weak Ni-Mo interaction by the strong Ru-Mo interaction, which may be derived from the enhanced d-orbital hybridization.

关键词： density functional theory superalloys solute cluster

Impact of device resistances in the performance of graphene‑based terahertz photodetectors

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Frontiers of Optoelectronics 2024年第2期17卷 87-97页

作者： O.Castelló Sofía M.López Baptista K.Watanabe T.Taniguchi E.Diez J.E.Velázquez-Pérez Y.M.Meziani J.M.Caridad J.A.Delgado-Notario department of Applied Physics University of Salamanca37008 SalamancaSpain Unidad de Excelencia en Luz y Materia Estructurada(LUMES) University of Salamanca37008 SalamancaSpain Research Center for Electronic and Optical materials National Institute for Materials Science1-1 NamikiTsukuba 305-0044Japan Research Center for materials Nanoarchitectonics National Institute for Materials Science1-1 NamikiTsukuba 305-0044Japan Nanotechnology Group USAL-NanolabUniversity of Salamanca37008 SalamancaSpain

In recent years,graphene field-effect-transistors(GFETs)have demonstrated an outstanding potential for terahertz(THz)photodetection due to their fast response and *** features are essential to enable emerging THz applications,including 6G wireless communications,quantum information,bioimaging and ***,the overall performance of these photodetectors may be utterly compromised by the impact of internal resistances presented in the device,so-called access or parasitic *** this work,we provide a detailed study of the influence of internal device resistances in the photoresponse of high-mobility dual-gate GFET *** dual-gate architectures allow us to fine tune(decrease)the internal resistance of the device by an order of magnitude and consequently demonstrate an improved responsivity and noise-equivalent-power values of the photodetector,*** results can be well understood by a series resistance model,as shown by the excellent agreement found between the experimental data and theoretical *** findings are therefore relevant to understand and improve the overall performance of existing high-mobility graphene photodetectors.

关键词： Graphene THz Photodetector Field-effect transistor Plasmonic

Metal/covalent organic frameworks for aqueous rechargeable zinc-ion batteries

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science China Chemistry 2024年第1期67卷 247-259页

作者： Hu Hong Xun Guo Jiaxiong Zhu Zhuoxi Wu Qing Li Chunyi Zhi department of {1. science and Engineering City University of Hong KongHong Kong 999077China

Lithium-ion batteries(LIBs)have become one of the most successful energy storage systems due to their high operating voltage,high energy density,and long cycle ***,with the widespread use of LIBs in recent decades,lithium resources are at risk of being ***,it is necessary to find a substitute for LIBs to meet the needs of future large-scale energy storage *** of their competitiveness,low cost,and high safety,aqueous rechargeable zinc-ion batteries(ARZIBs)are regarded as promising components in the post-lithium-ion-battery *** the tunable composition,ordered porous channels,and controllable structure of metal-organic frameworks(MOFs)and covalent organic frameworks(COFs),these frameworks are viewed as potential materials for developing high-performance *** this review,we focus on the recent developments in the applications of MOF-/COF-based materials in ARZIBs,including in electrode materials,anode modifications,separators,and solid *** then focus on the critical factors and optimization techniques of MOF-/COF-based materials that affect the performance of ***,we conclude with some projections for the expansion of ARZIBs containing MOF-/COF-based materials.

关键词： metal/covalent organic frameworks aqueous zinc-ion batteries electrode materials anode modifications separators electrolytes

Surface engineering on MnO_(2)nanorods by La single atoms to accelerate oxygen reduction kinetics

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Rare Metals 2024年第9期43卷 4302-4311页

作者： Zhang-Long He Liu-Qi Wang Min Jiang Jia-Nan Xie Shan Liu Jin-Can Ren Rui Sun Wen-Bin Lv Wei-Bin Guo Yu-Ling Liu Bing Li Qi Liu Hao He School of materials {1. and Engineering Changsha University of Science and TechnologyChangsha 410000China School of materials {1. and Engineering Nanjing University of Science and TechnologyNanjing 210094China School of materials {1. and Engineering Shanghai Jiao Tong UniversityShanghai 200240China department of Physics City University of Hong KongHong Kong 999077China

Surface engineering,which modulates the electronic structure and adsorption/desorption properties of electrocatalysts,is one of the key strategies for improving the catalytic ***,we demonstrate a facile solid-phase reaction for surface engineering of MnO_(2)to boost the oxygen reduction *** reaction with surface hydroxy groups,La single atoms with loading amount up to 2.7 wt%are anchored onto a-MnO_(2)*** surface engineering,the oxygen reduction reaction(ORR)kinetics is significantly improved with the half-wave potential from 0.70 to 0.84 V,the number of transferred electrons from 2.5 to 3.9 and the limiting current density from 4.8 to 6.0 mA·cm^(-2).In addition,the catalyst delivers superior discharge performance in both alkaline and neutral metal–air *** functional theory(DFT)calculations reveal that atomic La modulates the surface electronic configuration of MnO_(2),reduces its d-band center and thus lowers the OOH*and O*reaction energy *** work provides a new route for rational design of highly active electrocatalyst and holds great potential for application in various catalytic reactions.

关键词： Surface engineering Single atoms Electron injection Oxygen reduction reaction Metal-air batteries

[001.-texturing of(K,Na)NbO_(3)-based piezoceramics with a pseudocubic structure and their application to piezoelectric devices

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Journal of Materiomics 2024年第3期10卷 632-642页

作者： Su-Hwan Go Seok-Jung Park Seung-Hyun Kim Seok-June Chae Eun-Ji Kim Geun-Su Lee Sahn Nahm department of {1. science and Engineering Korea UniversitySeoul02841Republic of Korea

0.96(K_(0.5)Na_(0.5-z)Li_(z))(Nb_(0.92)Sb_(0.08))O_(3)-0.04(Ca_(0.5)Sr_(0.5))ZrO_(3)[(KN_(0.5-z)L_(z))NS-CSZ]piezoceramics(0≤z≤0.04)were aligned in the[001.orientation using 3%(in mole)NaNbO_(3)templates with a large Lotgering factor(>97%).Their crystal structures transformed from the orthorhombic-pseudocubic(O-P)structure to the orthorhombic-tetragonal-pseudocubic(O-T-P)structure with an increasing *** P structure was interpreted as a rhombohedral R3m *** piezoelectricity of the compositions increased after[001.-texturing,and the enhancement was proportional to the O phase *** composition(z=0.03)exhibited the highest piezoelectric constant(d_(33);670 pC/N)and electromechanical coupling factor(k_(p);0.56).Piezoelectric energy harvesters were produced using the untextured and textured samples(z=0.03).The textured harvester delivered a large power density of 26.6 mW/mm^(3),which was larger than that of the untextured harvester owing to the enhanced kp and d_(33)×g_(33) of the textured piezoceramic.A multilayer actuator was produced using the textured sample(z=0.03),and it exhibited a large acceleration(44.2 G)and displacement(±3,730 mm)at±25 ***,the[001.-textured(KN_(0.47)L_(0.03))NS-CSZ piezoceramic is suitable for piezoelectric energy harvesters and actuators.

关键词： KNN-Based piezoceramic Lead-free Energy harvester Actuator Reactive template grain growth

Machine learning-assisted efficient design of Cu-based shape memory alloy with specific phase transition temperature

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International Journal of Minerals,Metallurgy and materials 2024年第4期31卷 773-785页

作者： Mengwei Wu Wei Yong Cunqin Fu Chunmei Ma Ruiping Liu department of {1. science and Engineering China University of Mining&Technology(Beijing)Beijing 100083China Institute for Advanced materials and Technology University of Science and Technology BeijingBeijing 100083China

The martensitic transformation temperature is the basis for the application of shape memory alloys(SMAs),and the ability to quickly and accurately predict the transformation temperature of SMAs has very important practical *** this work,machine learning(ML)methods were utilized to accelerate the search for shape memory alloys with targeted properties(phase transition temperature).A group of component data was selected to design shape memory alloys using reverse design method from numerous unexplored *** modeling and feature modeling were used to predict the phase transition temperature of the shape memory *** experimental results of the shape memory alloys were obtained to verify the effectiveness of the support vector regression(SVR)*** results show that the machine learning model can obtain target materials more efficiently and pertinently,and realize the accurate and rapid design of shape memory alloys with specific target phase transition *** this basis,the relationship between phase transition temperature and material descriptors is analyzed,and it is proved that the key factors affecting the phase transition temperature of shape memory alloys are based on the strength of the bond energy between *** work provides new ideas for the controllable design and performance optimization of Cu-based shape memory alloys.

关键词： machine learning support vector regression shape memory alloys martensitic transformation temperature

Unraveling the Harmonious Coexistence of Ruthenium States on a Self-Standing Electrode for Enhanced Hydrogen Evolution Reaction

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Energy & Environmental materials 2024年第6期7卷 303-311页

作者： Joonhee Ma Jin Hyuk Cho Chaehyeon Lee Moon Sung Kang Sungkyun Choi Ho Won Jang Sang Hyun Ahn Seoin Back Soo Young Kim department of {1. science and Engineering Korea UniversitySeoul 02841Korea department of Chemical and Biomolecular Engineering Institute of Emergent MaterialsSogang UniversitySeoul 04107Korea department of Cogno-Mechatronics Engineering College of Nanoscience and NanotechnologyPusan National UniversityBusan 46241Korea department of {1. science and Engineering Research Institute of Advanced MaterialsSeoul National UniversitySeoul 08826Korea School of Chemical Engineering and Material science Chung-Ang UniversitySeoul 06974Korea

The development of cost-effective,highly efficient,and durable electrocatalysts has been a paramount pursuit for advancing the hydrogen evolution reaction(HER).Herein,a simplified synthesis protocol was designed to achieve a self-standing electrode,composed of activated carbon paper embedded with Ru single-atom catalysts and Ru nanoclusters(ACP/Ru_(SAC+C))via acid activation,immersion,and high-temperature *** initio molecular dynamics(AIMD)calculations are employed to gain a more profound understanding of the impact of acid activation on carbon ***,the coexistence states of the Ru atoms are confirmed via aberration-corrected scanning transmission electron microscopy(AC-STEM),X-ray photoelectron spectroscopy(XPS),and X-ray absorption spectroscopy(XAS).Experimental measurements and theoretical calculations reveal that introducing a Ru single-atom site adjacent to the Ru nanoclusters induces a synergistic effect,tuning the electronic structure and thereby significantly enhancing their catalytic ***,the ACP/Ru_(SAC+C)exhibits a remarkable turnover frequency(TOF)of 1. s^(−1.and an exceptional mass activity(MA)of 2.2 A mg^(−1.,surpassing the performance of conventional Pt *** self-standing electrode,featuring harmoniously coexisting Ru states,stands out as a prospective choice for advancing HER catalysts,enhancing energy efficiency,productivity,and selectivity.

关键词： electrocatalysis electronic coupling effect hydrogen evolution reaction selfstanding electrode

Effect of hafnium and molybdenum addition on inclusion characteristics in Co-based dual-phase high-entropy alloys

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International Journal of Minerals,Metallurgy and materials 2024年第7期31卷 1639-1650页

作者： Yong Wang Wei Wang Joo Hyun Park Wangzhong Mu Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education&Hubei Provincial Key Laboratory for New Processes of Ironmaking and Steelmaking Wuhan University of Science and TechnologyWuhan 430081China department of {1. science and Engineering KTH Royal Institute of TechnologySE-10044StockholmSweden department of Chemical Engineering Northeast Electric Power UniversityJilin 132012China department of {1. science and Chemical Engineering Hanyang UniversityAnsan 15588Korea Engineering materials Division of Materials ScienceDepartment of Engineering Science and MathematicsLuleå University of Technology97187 LuleåSweden

Specific grades of high-entropy alloys(HEAs)can provide opportunities for optimizing properties toward high-temperature *** this work,the Co-based HEA with a chemical composition of Co_(47.5)Cr_(30)Fe_(7.5)Mn_(7.5)Ni_(7.5)(at%)was *** refractory metallic elements hafnium(Hf)and molybdenum(Mo)were added in small amounts(1.5at%)because of their well-known positive effects on high-temperature *** characteristics were comprehensively explored by using a two-dimensional cross-sectional method and extracted by using a three-dimensional electrolytic extraction *** results revealed that the addition of Hf can reduce Al_(2)O_(3)inclusions and lead to the formation of more stable Hf-rich inclusions as the main *** addition cannot influence the inclusion type but could influence the inclusion characteristics by affecting the physical parameters of the HEA *** calculated coagulation coefficient and collision rate of Al_(2)O_(3)inclusions were higher than those of HfO_(2)inclusions,but the inclusion amount played a larger role in the agglomeration behavior of HfO_(2)and Al_(2)O_(3)*** impurity level and active elements in HEAs were the crucial factors affecting inclusion formation.

关键词： high-entropy alloy non-metallic inclusion agglomeration thermodynamics alloying