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Machine learning approach for predicting optical and photothermal properties of gold nanoparticle/polymer hybrid films:Effect of synthetic data

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Nano Research 2025年第3期18卷 347-359页

作者： Yi Je Cho Harrison Chaney Kathy Lu Department of Materials Science and Engineering Virginia Polytechnic Institute and State UniversityBlacksburgVA 24061USA Department of Advanced Materials Science and Engineering Sunchon National UniversitySuncheon-siJeollanam-do 57922Republic of Korea Department of Mechanical and Materials Engineering University of Alabama at BirminghamBirminghamAL 35294USA

Emerging machine learning(ML)approaches have been adopted in various material systems to predict novel properties with the assistance of the corresponding large *** new materials,however,collecting sufficient data points for model training is not feasible,which is the case for gold nanoparticle/polymer hybrid *** this study,an ML approach coupled with finite element modeling was proposed for predicting the optical and photothermal properties of gold nanoparticle/polymer hybrid *** datasets of the optical and photothermal properties were built using results from the ***,finite element analyses were conducted to generate synthetic data to satisfy the quality and quantity of the data required for training *** analysis and model training were performed using the datasets with and without synthetic data to evaluate their effects on predicting the performance of the ML *** relative importance of features to targets(properties)was evaluated by correlation *** models with high accuracy were obtained by training various models from conventional to newly developed ***,weaknesses,and improvement of the synthetic data addition were *** proposed workflow and framework offer reliable prediction of optical and photothermal properties over different combinations of gold nanoparticles and polymer matrices,which can be extended to include more features related to processing parameters and microstructures.

关键词： machine learning gold nanoparticle polymer hybrid film optical property photothermal property finite element modeling

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A high-entropy rare-earth phosphate and its principle single component REPO_(4)for environmental barrier coatings

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Journal of Advanced Ceramics 2025年第3期14卷 103-119页

作者： Bishnu Pada Majee Keith Bryce Liping Huang Jie Lian Department of Materials Science and Engineering Rensselaer Polytechnic InstituteNY 12180USA Department of Mechanical Aerospace and Nuclear EngineeringRensselaer Polytechnic InstituteNY 12180USA

Xenotime rare-earth(RE)phosphates are emerging as promising materials for environmental barrier coatings(EBCs)for SiC-based ceramic-matrix composites(CMCs)because of their close coefficients of thermal expansion(CTEs)and resistance to calcium-magnesium-alumina-silicate(CMAS)*** this work,high-entropy(HE)(Sc_(0.2)Lu_(0.2)Yb_(0.2)Er_(0.2)Y_(0.2))PO_(4) and five single-component REPO4(RE=Sc,Lu,Yb,Er,and Y)compounds were synthesized,and their stability,thermal properties,and CMAS corrosion resistance were *** CTE values of four REPO_(4) compounds(RE=Lu,Yb,Er,and Y;~(5.6-6)×10^(−6)℃^(−1))are close to those of SiC-CMC((4.5-5.5)×10^(−6)℃^(−1)),whereas ScPO_(4)(6.98×10^(−6)℃^(−1))and HE(5RE_(0.2))PO_(4)(6.39×10^(−6)℃^(−1))have slightly higher values in the temperature range of 200-1300℃.HE phosphate has the lowest thermal conductivity due to its size and mass *** CMAS corrosion tests at 1300℃ for 5,45,and 96 h revealed that all RE phosphates formed a continuous and dense reaction layer predominantly composed of Ca_(8)MgRE(PO_(4))_(7),effectively impeding CMAS ***,REPO_(4) with smaller RE³−cations displays a slower reaction rate and reduced corrosion kinetics,as evidenced by the smaller thickness of the reaction layer.A larger negative difference in the optical basicity(OB)value between REPO_(4) and CMAS signifies greater corrosion resistance.A mechanistic understanding of CMAS corrosion and elucidation of the effects of critical parameters such as the ionic mass and ionic radius of RE elements on their thermal properties and CMAS corrosion kinetics are useful for the development of novel xenotime-type phosphates as EBCs for SiC-CMCs.

关键词： environmental barrier coatings(EBCs) rare-earth(RE)phosphate coefficients of thermal expansion(CTEs) thermal conductivity calcium-magnesium-alumina-silicate(CMAS)corrosion

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A High-Performance Stretchable Triboelectric Nanogenerator Based on Polytetrafluoroethylene(PTFE) Particles

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Energy & Environmental materials 2025年第1期8卷 250-258页

作者： Jiawei Liu Jinhui Wang Yawen Wang Zhilin Wu Hongbiao Sun Yan Yang Lisheng Zhang Xu Kou Pengyuan Li Wenbin Kang Jiangxin Wang School of Mechanical Engineering Sichuan University State Key Laboratory of Environment-Friendly Energy Materials Southwest University of Science and Technology

Triboelectric nanogenerators(TENGs) are emerging as new technologies to harvest electrical power from mechanical *** the distinctive working mechanism of triboelectric nanogenerators,they attract particular interest in healthcare monitoring,wearable electronics,and deformable energy harvesting,which raises the requirement for highly conformable devices with substantial energy outputs.

关键词： particles stretchable electronics triboelectric nanogenerators wearable sensors

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Advanced high-entropy alloys breaking the property limits of current materials

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Journal of materials science & Technology 2024年第19期186卷 219-230页

作者： Dongyue Li Peter K.Liaw Lu Xie Yong Zhang Wenrui Wang School of Mechanical Engineering University of Science and Technology BeijingBeijing 100083China Department of Materials Science and Engineering The University of TennesseeKnoxvilleTN 37996USA Beijing Advanced Innovation Center of Materials Genome Engineering State Key Laboratory for Advanced Metals and MaterialsUniversity of Science and Technology BeijingBeijing 100083China

The growing need for stronger and more ductile structural materials has spurred an intense search for innovative,high-performance ***,alloys face a pervasive trade-off:high strength often comes at the expense of ductility and vice *** advent of high-entropy alloys(HEAs)offering both high strength and ductility has transformed this *** this work,we discuss the deformation mechanisms of HEAs,examine the foundations of the strength-ductility trade-off,and explore approaches for designing HEAs to surmount this ***,we analyze the factors that govern HEA-deformation performance,which in turn influence the HEA *** also propose a perspective on future research directions concerning the mechanical behavior of HEAs,highlighting potential breakthroughs and novel strategies to advance the field.

关键词： High-entropy alloy Strength-ductility Trade-off Microstructure Deformation mechanism

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Enhanced electrochemical corrosion resistance of 316L stainless steel manufactured by ultrasonic rolling assisted laser directed energy deposition

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China Foundry 2025年第2期22卷 182-194页

作者： Guan Liu Yi-gui Su Xu-yu Pi Dong-xu Wen De-fu Liu Yong-cheng Lin School of Mechanical and Electrical Engineering Central South UniversityChangsha 410083China State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China

Under the laser directed energy deposition(LDED)process,the rapid melting and solidification usually lead to the emergence of pores and coarse columnar dendrites,which in turn compromise the properties of the deposited *** study introduced in-situ ultrasonic rolling(UR)as an innovative method to enhance the corrosion resistance of LDED specimens,and the microstructural characteristics and their correlation with corrosion resistance were deeply *** findings reveal that the LDED-UR specimen exhibits a reduction in both the fraction and size of *** the influence of severe plastic deformation generated by LDED-UR process,fully equiaxed grains appear with a reduced average size of 28.61μm(compared to63.98μm for the LDED specimen with columnar grains).The electrochemical corrosion resistance of the LDED-UR specimen is significantly enhanced compared to the LDED *** enhanced corrosion resistance can be attributed to the low fraction of small-sized pores,the fine and uniformly distributed Cr-enriched ferrite phase,and the formation of a compact and thick passive film due to dense grain *** insight of the correlation between microstructure and corrosion behavior opens up a new pathway to enhance the corrosion resistance of LDED specimens.

关键词： laser directed energy deposition ultrasonic rolling 316L stainless steel microstructure electrochemical corrosion resistance

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Refilled friction stir spot welding of dissimilar Q235 low-carbon steel/5052 aluminum with equal thickness

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Journal of Iron and Steel Research International 2024年第10期31卷 2520-2529页

作者： Jian-yu Li Jia-xu shi Shu-hai Chen Ji-hua Huang Shu-jun Chen School of Materials Science and Engineering University of Science and Technology BeijingBeijing100083China The College of Mechanical Engineering and Applied Electronics Technology Beijing University of TechnologyBeijing100124China

The welding characteristics of 5052 aluminum alloy and Q235 low-carbon steel sheet were systematically studied by the refilled friction stir spot *** effects of rotation speed and pressure speed on weld forming,tensile strength,and welded joint structure were analyzed in different welding *** results indicated two different connection modes:the chimeric mode and the non-chimeric *** corresponding depression depth are 2 and 2.4 mm,*** the non-chimeric connection mode,the steel/aluminum metallurgical interface is a smooth transition,the hook structure is obvious,and the welding mechanism mainly depends on the mutual diffusion between ***,in the chimeric mode,a hook structure will be formed at the metallurgical interface of steel and *** connection mechanism is determined by mechanical interlocking and mutual *** maximum strength value is 7.48 kN in non-chimeric *** this time,the spindle speed is 1300 r/min and the pressure speed is 1 mm/*** were two types of fractures:the button fracture mode and the peel fracture mode.

关键词： Friction stir spot welding 5052 aluminum alloy Q235 low-carbon steel Intermetallic compound mechanical interlocking

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Developing a novel Mg2Zn3Li1Gd alloy sheet with high room-temperature formability by introducing an elliptical texture distribution

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Journal of Magnesium and Alloys 2025年第2期13卷 877-893页

作者： Guangjie Xue Junjie He Yang Chen Zijian Zhang Kun Yang Yilun Zhou Huijun Hao Weiqi Wang Yong Mao Qinghang Wang Materials Genome Institute School of Materials and EnergyYunnan UniversityKunming 650504China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001HeilongjiangChina School of Mechanical Engineering Yangzhou UniversityYangzhou 225127China

In recent years,modification of texture distribution has been considered a valid approach to improve the room-temperature(RT)formability of magnesium(Mg)*** this study,a novel Mgsingle bond2Znsingle bond3Lisingle bond1Gd alloy sheet with weak elliptical-texture was fabricated by cold rolling and subsequent annealing,and it showed an excellent Erichsen(IE)value near 7.1 *** quasi-in-situ electron backscatter diffraction(EBSD)and transmission electron microscopy(TEM)analysis indicate that considerable basal and pyramidal dislocations can be activated in the cold rolling *** annealing,these dislocations can induce nucleation and then cause preferential misorientation relationships around〈uvt0〉concerning the nuclei and parent grains,which can facilitate the formation of elliptical ***,the particle-stimulated nucleation(PSN)mechanism and the co-segregation of Zn and Gd at grain boundaries(GB)further weak texture ***,the mechanical properties of the Mgsingle bond2Znsingle bond3Lisingle bond1Gd alloy sheet are significantly improved.

关键词： Mg-2Zn-3Li-1Gd Alloying Formability Plastic deformation

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Effect of strengthening mechanisms on mechanical properties of alumina-forming austenitic steel after pre-strain

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Progress in Natural science:materials International 2023年第6期33卷 901-910页

作者： Shengyu Zhang Qiuzhi Gao Wei Zhang Qingshuang Ma Hailian Zhang Jing Bai Huijie Zhang Liming Yu Huijun Li School of Materials Science and Engineering Northeastern University School of Resources and Materials Northeastern University at Qinhuangdao Daotian High Technology Co. Ltd. School of Materials Science & Engineering Tianjin University School of Mechanical Materials and Mechatronic Engineering University of Wollongong

Alumina-forming austenitic(AFA) steel, a promising candidate for use in high-temperature components of ultrasupercritical power plants, has high creep strengths and outstanding high-temperature corrosion resistance. The effects of microstructural evolution on the mechanical properties of Fe-20Ni-14Cr-3Al alumina-forming austenitic(3Al-AFA) steel with micro-cold deformation were investigated by multiple characterization methods, and the micro-cold deformation process was analyzed by conducting compression experiments. Tensile properties and hardness were also examined. The results show that the reduction of deformation has significant influences on the increase in the density of dislocation, the reduction of grain size, and the distribution of precipitates, which play an essential role in the enhancement of mechanical properties. As the reduction of deformation increases, the density of dislocations rises, the fragmentation of grains results in a reduction of grain size, and the distribution of precipitates at the grain boundaries gradually increases, which causes a rise in strength and a decrease in elongation. Since the elastic deformation range expands with an increase in deformation before the strain reaches 5 %of the CR0 sample in the compression test, the variation in the average grain aspect ratio between a reduction of 2% and 6 % is relatively small. It contributes more to hardness and strength when the grain aspect ratio is high.

关键词： Alumina-forming austenitic steel Pre-strain mechanical properties Grain aspect ratio

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Gradient age-precipitation behavior induced by gradient nano-grain in Mg-Gd-Ag-Zr alloy

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Journal of Iron and Steel Research International 2025年第1期32卷 19-24页

作者： Bang-jun Li Jia-peng Sun Jing Han Guo-song Wu College of Materials Science and Engineering Hohai UniversityNanjing 210024JiangsuChina School of Mechanical and Electrical Engineering China University of Mining and TechnologyXuzhou 221116JiangsuChina

Gradient nano-grained structure is frequently engineered into metallic materials,including Mg alloys,to achieve superior combination of strength and ***,the influence of this microstructural feature on aging precipitation behavior remains inadequately *** this study,the age-precipitation behavior of a gradient nano-grained Mg-Gd-Ag-Zr alloy prepared via ultrasonic severe surface rolling was *** result indicates that the aging precipitation behavior exhibits a depth-dependent variation within this *** the nano-grained surface layer,hierarchicalβnano-precipitates are predominant,while at greater depths,the precipitates consist ofβnanoparticles located at grain boundaries,along with intragranularβ′andγ″*** formation ofβnano-precipitates deviates from the conventional precipitation behavior observed in Mg-Gd-Ag alloys,and is attributed to the high density of defects induced by the surface nano-grained *** finding advances our understanding of the precipitation behavior in the alloys with heterogeneous microstructure.

关键词： Mg alloy Gradient Precipitation Aging behavior Microstructure

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Effect of Structural Configu ations on mechanical and Shape Recovery Properties of Ni Ti Triply Periodic Minimal Surface Porous Structures

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Chinese Journal of mechanical engineering 2024年第6期37卷 303-319页

作者： Shuaishuai Wei Bo Song Lei Zhang Xiaobo Wang Junxiang Fan Zhi Zhang Yusheng Shi State Key Laboratory of Materials Processing and Die and Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China Institute of Materials China Academy of Engineering PhysicsMianyang 621907China Department of Mechanical Engineering City University of Hong KongKowloon 999077China

Based on the advantages of triply periodic minimal surface(TPMS)porous structures,extensive research on NiTi shape memory alloy TPMS scaffolds has been ***,the current reports about TPMS porous structures highly rely on the implicit equation,which limited the design *** this work,novel shell-based TPMS structures were designed and fabricated by laser powder bed *** comparisons of manufacturability,mechanical properties,and shape recovery responses between traditional solid-based and novel shell-based TPMS structures were *** indicated that the shell-based TPMS porous structures possessed larger Young's moduli and higher compressive ***,Diamond shell structure possessed the highest Young's moduli of 605.8±24.5MPa,while Gyroid shell structure possessed the highest compressive strength of 43.90±3.32 *** addition,because of the larger specific surface area,higher critical stress to induce martensite transformation,and lower austenite finish temperature,the Diamond shell porous structure exhibited much higher shape recovery performance(only 0.1%residual strain left at pre-strains of 6%)than other porous *** results substantially uncover the effects of structural topology on the mechanical properties and shape recovery responses of NiTi shape memory alloy scaffolds,and confirm the effectiveness of this novel structural design *** research can provide guidance for the structural design application of NiTi porous scaffolds in bone implants.

关键词： NiTi shape memory alloy Porous structure Laser powder bed fusion mechanical property Shape recovery property

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