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A machine learning method approach for designing novel high strength and plasticity metastable β titanium alloys

Progress in Natural Science:materials International 2025年第1期35卷 156-165页

作者： Zhiduo Liu Haoyu Zhang Shuai Zhang Jun Cheng Yixuan He Ge Zhou Jiawei Liu Suping Song Lijia Chen School of Materials Science and Engineering Shenyang University of Technology Shenyang Key Laboratory of Advanced Structural Materials and Applications Shenyang University of Technology Northwest Institute for Nonferrous Metal Research Shaanxi Key Laboratory of Biomedical Metal Materials State Key Laboratory of Solidification Processing Northwestern Polytechnical University Ansteel Group Automation Co. Ltd

In order to improve efficiency and reduce costs, four machine learning models were established for the design of metastable β titanium alloys, including the Adaboost model, the LightGBM model, the Voting model, and the Stacking model. The accuracy of these models was evaluated, and all models exhibited excellent accuracy for tensile strength, yield strength, and elongation. The values of R-squared coefficients（R2） all greater than *** them, the LightGBM model showed the highest accuracy, with relatively smallest values of mean absolute error（MAE） and root mean square error（RMSE） and relatively largest value of R2. To further verify the accuracy of the model, a metastable β titanium alloy Ti-5.5Cr-5Al-4Mo-3Nb-2Zr was designed by the LightGBM model. The predicted values of the alloy's tensile strength, yield strength, and elongation under three heat treatment processes were in high agreement with the experimental values. The alloy exhibited optimal strength-plasticity matching after undergoing a solution treatment at 850°C for 0.5 h, followed by aging at 650°C for 8 h, with a tensile strength of 1317 MPa, an elongation of 11.17 %, and a strength-plasticity product of 14.711 GPa·%.

关键词： Machine learning Metastable β titanium alloy Microstructure Plasticity Strength

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Continuous production of Cl-terminated MXenes by bubbling chemical vapor growth in molten salt

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materials Today 2025年 86卷 1-9页

作者： Zhang, Jikai Tao, Yi Ye, Yuxuan Wang, Haiyang Wu, Xinping Luo, Zicheng Shi, Yu Zhao, Qi Cheng, Zongju Guo, Yu Li, Bin Mai, Bo An, Qinyou Zhang, Xiansheng Du, Zhiguo Yang, Shubin School of Materials Science and Engineering Beihang University Beijing100191 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China College of Textiles and Clothing Qingdao University Qingdao266071 China

Although 2D transition-metal carbides (MXenes) are usually synthesized by selective etching and chemical vapor deposition approaches, they are limited by the slow reaction kinetics, resulting in their continuous production challenging. Here, we demonstrate a bubbling chemical vapor growth (BCVG) method to continuously produce Cl-terminated MXenes by the reaction of CH4 and TiCl4 chemical bubbles with titanium powder in a molten salt. In the molten reaction system, titanium powder would effectively react with TiCl4 to form highly active [TiCl6]y– with low Ti[sbnd]Cl bond dissociation energies. The multivalent [TiCl6]y– could efficiently incorporate the carbon species from CH4 to form [Ti6CCl18] clusters on the surface of bubbles in a low energy barrier, efficiently promoting the reaction kinetics. Subsequently, Cl-terminated MXenes were produced based on the following condensation reaction of [Ti6CCl18] clusters. The resultant MXene (Ti2CClx) exhibits an expanded structure with strong interfacial polarization between its basal planes and the polymer matrix, delivering a good electromagnetic wave absorption performance with a minimum reflection loss (RLmin) value of –52.2 dB at a thin thickness of 2.84 mm. © 2025 Elsevier Ltd

关键词： Condensation reactions

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Fe doping 1T phase MoS_(2)with enhanced zinc-ion storage ability and durability for high-performance aqueous zinc-ion batteries

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Rare Metals 2025年第1期44卷 253-263页

作者： Jing-Yi Liu Rong-Jie Zhe Zhan-Hong Peng Yi-Hui Song Lin-Xuan Yang Chen Qing Jun-Ling Guo Jin-Ping Liu Yunnan Key Laboratory of Opto-Electronic Information Technology College of Physics and Electronic Information TechnologyYunnan Normal UniversityKunming 650000China Country State Center for International Cooperation on Designer Low-Carbon and Environmental Materials School of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China School of Chemistry Chemical Engineering and Life ScienceState Key Laboratory of Advanced Technology for Materials Synthesis and ProcessingWuhan University of TechnologyWuhan 430070China

As a promising cathode material for aqueous zinc-ion batteries,1T-MoS_(2)has been extensively investigated because of its facile two-dimensional ion-diffusion channels and high electrical ***,the limited number of available Zn storage sites,i.e.,limited capacity,hinders its application because the inserted Zn^(2+),which form strong electrostatic interactions with 1T-MoS_(2),preventing subsequent Zn^(2+)***,the approach of enlarging the interlayer distance to reduce electrostatic interactions has been commonly used to enhance the capacity and reduce Zn^(2+)migration ***,an enlarged interlayer spacing can weaken the van der Waals force between 1T-MoS_(2)monolayers,easily disrupting the structural ***,to address this issue,an effective strategy based on Fe doping is proposed for 1T-MoS_(2)(Fe-1T-MoS_(2)).The theoretical calculations reveal that Fe doping can simultaneously moderate the rate of decrease in the adsorption energy after gradually increasing the number of stored atoms,and enhance the electron delocalization on metal-O ***,the experiment results show that Fe doping can simultaneously activate more Zn storage sites,thus enhancing the capacity,and stabilize the structural stability for improved cycling ***,Fe-1T-MoS_(2)exhibits a larger capacity(189 mAh·g^(-1)at 0.1 A·g^(-1))and superior cycling stability(78%capacity retention after 400 cycles at 2 A·g^(-1))than pure 1T-MoS_(2).This work may open up a new avenue for constructing high-performance MoS_(2)-based cathodes.

关键词： Aqueous zinc-ion battery 1T-MoS_(2) Fe doping More Zn storage sites Enhanced structural stability

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基于织构工程优化的n型Ag2Se薄膜热电性能增强研究（英文）

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Science China materials 2025年第5期68卷 1630-1637页

作者：张新洋贺丹琪陈李莎黄同露叶先锋李浩天朱婉婷聂晓蕾余健张玉魏平赵文俞张清杰 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of Technology School of Materials Science and Engineering Jiujiang University Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory

柔性热电发电技术日益被认为是为可穿戴电子设备供电的有效解决方案.然而,n型柔性薄膜的性能局限性限制了其更广泛的应用.本研究通过织构工程技术获得了高性能n型Ag2Se薄膜,在300 K时,功率因子高达2.14 mW m-1K-2.我们采用简单的蒸发镀... 详细信息

柔性热电发电技术日益被认为是为可穿戴电子设备供电的有效解决方案.然而,n型柔性薄膜的性能局限性限制了其更广泛的应用.本研究通过织构工程技术获得了高性能n型Ag2Se薄膜,在300 K时,功率因子高达2.14 mW m-1K-2.我们采用简单的蒸发镀膜技术,结合前驱体调控策略,制备了（201）取向的n型Ag2Se薄膜.实验和理论分析均表明,这种择优取向的Ag2Se薄膜具有高迁移率和高Seebeck系数.此外,纳米孔和随机面内取向结构的引入,显著散射了不同波长声子,从而使Ag2Se热导率进一步降低.最终,在363 K时,Ag2Se薄膜ZT值高达0.73.本研究不仅提出了一种调控Ag2Se薄膜晶体取向的策略方法,还为开发高性能热电薄膜材料创造了新的前景.

关键词： Ag2Se film texture engineering preferred orientation electrical properties thermoelectric performance

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Reduced graphene oxide-induced in-situ uniform growth of hydrated WO_(3) film for enhanced electrochromic performance

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Nano Research 2025年第4期18卷 569-577页

作者： Rui Fang Yang Liu Chunyu Shi Huihui Jin Zibo Chen Haohao Sun Ben Lv Daping He Xusheng Zheng Yuli Xiong State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China School of Science Wuhan University of TechnologyWuhan 430070China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China

WO_(3)-graphene electrochromic materials are widely used in electrochromic devices including smart windows and electronic displays,due to their ability to adjust optical transmittance in the visible and near-infrared ranges under low electrode ***,the uniformity of the film remains a challenge for the widely used physical mixing-coating *** this study,we present a two-dimensional material-assisted synthesis of a porous hydrated WO_(3) film(WH-rGO)based on reduced graphene oxide(rGO)nanosheets and WO_(3)(rGO-WO_(3))seed layer via a hydrothermal *** incorporation of rGO not only promotes the uniform growth of hydrated WO_(3) film,enhancing ion transport but also introduces oxygen vacancies,creating an efficient conduction pathway for charge *** resulting WH-rGO film exhibits impressive performance,achieving 71% optical modulation at 700 nm,with bleaching and coloring times of 4.2 and 1.0 *** coloration efficiency is calculated at 156.11 cm^(2)·C^(-1),and the optical modulation is maintained at 93% of the initial optical modulation after 1000 cycles applied in the +1.0 and -1.1 V potential *** work offers new insights into the role of oxygen vacancies in enhancing the electrochromic properties of hydrated WO_(3) films through the addition of *** also provides a promising approach for the synthesis of electrochromic materials,facilitating their application in smart window technologies.

关键词： electrochromic film hydrated tungsten oxide reduced graphene oxide oxygen vacancy

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Unraveling the impacts of intermolecular interaction on morphology evolution for highly efficient organic solar cells and modules

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Science China Chemistry 2025年第1期68卷 264-272页

作者： Xueqing Ma Yingying Cheng Yuqiang Liu Xinming Zheng Guangliu Ran Hongxiang Li Xinyue Cui Andong Zhang Wenkai Zhang Pei Cheng Wenchao Huang Zhishan Bo Beijing Key Laboratory of Energy Conversion and Storage Materials College of ChemistryBeijing Normal UniversityBeijing 100875China College of Textiles and Clothing State Key Laboratory of Bio-fibers and Eco-textilesQingdao UniversityQingdao 266071China Key State Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Department of Physics and Applied Optics Beijing Area Major Laboratory Center for Advanced Quantum StudiesBeijing Normal UniversityBeijing 100875China State Key Laboratory of Polymer Materials Engineering College of Polymer Science and EngineeringSichuan UniversityChengdu 610065China

Understanding the effect of intermolecular interaction on the growth dynamic of active layers is critical for advancing organic solar cells(OSCs).However,the diverse structure of donors and acceptors makes the research *** with customizable structures and properties could simplify this ***,we meticulously tailor two additives of 3,4-ethylenedioxythiophene(EDOT)and 2,5-dibromo-3,4-ethylenedioxythiophene(DBEDOT),possessing distinct intermolecular interaction features to elaborate the inherent *** is found that varied interaction strengths can alter film formation *** enhanced intermolecular interaction between the DBEDOT and non-fullerene acceptor BTP-e C9-4F results in pre-aggregation and longer crystallization duration of BTP-e C9-4F,facilitating the formation of films with compact molecular packing and decent phase ***,exciton dissociation and charge transport become more ***,devices processed with DBEDOT exhibit a remarkable power conversion efficiency of 19.35%in small-area OSCs and 14.11%in bladecoated 5 cm×5 cm organic solar ***,OSCs can maintain 80%of their initial efficiency after continuous annealing at 85℃for over 2,100 h.

关键词： organic solar cell non-fullerene acceptor film growth molecular packing intermolecular interaction

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Designing carboxymethyl cellulose based hydrogel electrolyte membranes enhanced by inorganic nanoparticle toward stable zinc anode

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Green Energy & Environment 2025年第3期10卷 537-550页

作者： Xiangye Li Yuan Li Yu Jiang Dahui Wang Fen Ran State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Department of Polymeric Materials EngineeringSchool of Material Science and EngineeringLanzhou University of TechnologyLanzhou730050China

Aqueous zinc metal batteries have garnered substantial attention ascribing to affordability,intrinsic safety,and environmental benignity Nevertheless,zinc metal batteries yet are challenged with potential service life issues resulted from dendrites and side *** this paper,a strategy of nanoparticles doped hydrogel is proposed for constructing carboxymethyl cellulose/graphite oxide hybrid hydrogel electrolyte membranes with exceptional ionic conductivity,anti-swelling property,and simultaneously addressing the dendrites and parasitic *** pivotal functions of the carboxymethyl cellulose/graphite oxide hydrogel electrolyte in mitigating hydrogen evolution and fostering accelerated Zn deposition have been elucidated based on principles of thermodynamic and reaction *** carboxymethyl cellulose/graphite oxide hydrogel electrolyte endows exceptional cycling longevity (800 h at 1 mA cm^(-2)/1 mAh cm^(-2)) for Znjj Zn battery,as well as high Coulombic efficiency for Znjj Cu battery (averagely 99.14%within 439 cycles at 1 mA cm^(-2)/1 mAh cm^(-2)).The assembled Znjj NH_(4)V_(4)O_(10)battery delivers a high reversible specific capacity of 328.5 mAh g^(-1)at 0.1 A g^(-1).Moreover,the device of Znjj NH_(4)V_(4)O_(10)pouch battery remains operational under severe conditions like bending and *** work provides valuable reference in developing inorganic nanoparticle hybrid hydrogel electrolyte for realizing high-performance zinc metal batteries.

关键词： Carboxymethyl cellulose Graphite oxide Hydrogel electrolyte Anti-swelling

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Numerical simulation of microstructure and microporosity morphology in directional solidification of aluminum-copper alloys:Effect of copper content and withdrawal rate

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China Foundry 2025年第1期22卷 33-44页

作者： Wei Yuan Hai-dong Zhao Xu Shen Chun Zou Yuan Liu Qing-yan Xu National Engineering Research Center of Near-Net-Shape Forming for Metallic Materials South China University of TechnologyGuangzhou 510640China Key Laboratory for Advanced Materials Processing Technology(Ministry of Education) Tsinghua UniversityBeijing 100084China

Microporosity formed in the solidification process of Al alloys is detrimental to the alloy properties.A two-dimensional cellular automaton(CA)model was developed to simulate the microstructure and microporosity formation in Al-Cu alloys,considering variations in Cu content and solidification *** results indicate that the Cu content primarily influences the growth of *** validate the model,directional solidification experiments were conducted on Al-Cu alloys with varing Cu contents and withdrawal *** experimental results of dendrites and microporosity characteristics agree well with the predictions from the developed model,thus confirming the validity of the *** alloy’s liquidus temperature,dendrite morphology,and hydrogen saturation solubility arising from different Cu contents have significant effects on microporosity *** withdrawal rate primarily affects the nucleation of hydrogen microporosity by altering cooling rates and dendritic growth rates,resulting in different microporosity characteristics.

关键词： microporosity dendrites cellular automaton Al-Cu alloys directional solidification

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Low-temperature active soldering of 5A06-Al alloy and Ti-Cu-Ni alloy mesh-reinforced SAC305 composite solder: Interfacial bonding behavior and joint properties

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Journal of materials Science and technology 2025年 235卷 313-323页

作者： Li, Dan Xi, Bangfu Xiao, Yong Song, Lizhi Zhang, Jian Luo, Dan Goodall, Russell School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Department of Materials Science and Engineering The University of Sheffield SheffieldS1 3JD United Kingdom

Achieving reliable bonding is critical for low-temperature active soldering in Al alloys. In this study, a novel Ti-Cu-Ni alloy mesh-reinforced SAC305 composite solder was developed for active soldering of 5A06-Al alloy at 350 °C. Effects of soldering time on the microstructure and mechanical properties of joints were investigated, and the interfacial bonding mechanism of joints was analyzed. Results showed that the (Cu, Ni)6Sn5 phase was formed between alloy mesh and SAC305 solder in the active composite solder, while Ti atoms were uniformly released from the alloy mesh. Metallurgical products within joints mainly comprised (Cu, Ni)6Sn5 and Al3(Ni, Cu)2 phases, which developed with increasing soldering time. An amorphous Al2O3 layer and a Mg-containing layer were formed at the Al substrate/SAC305 solder interface. Mg atoms could enhance the charge transfer between Ti atoms and oxide film, attracting the diffusion of Ti atoms to oxide film. The oxide film removal processes relied on the synergistic impacts of Ti and Mg. The highest shear strength of joints reached 53.21 ± 0.91 MPa, exceeding previously reported properties for low-temperature active soldering by over 100 %. This exploration may provide insights into developing low-temperature active soldering technologies for Al alloys. © 2025

关键词： Titanium alloys

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The role of γ/γ interfacial spacing on the tensile behavior in lamellar TiAl alloy via molecular dynamics simulations

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Acta Mechanica Sinica 2025年第2期41卷 1-6页

作者： Xiong Zhou Shiping Wang Zhongtao Lu Xiege Huang Xiaobin Feng Jiayi Fu Wenjuan Li Pengcheng Zhai Guodong Li Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics School of ScienceWuhan University of TechnologyWuhan 430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

The lamellar microstructure is one of the most typical microstructures of TiAl *** are threeγ/γinterfaces with different microstructures in lamellarγ-TiAl *** this work,we investigated the deformation processes of lamellarγ-TiAl alloys with different interfacial spacing(λ)via uniaxial tensile loading using molecular dynamics simulations,including true twin(TT),pseudo-twin(PT),rotational boundary(RB),and the mixed structure(TT∥PT∥RB).The results show that in all lamellarγ-TiAl samples,the Shockley partial dislocation prefers to nucleate in the region between two neighboring ***,dislocations move towards,crossing theγ/γ***,the dislocation slippage leads to the destruction of the interface,resulting in cracks and structural *** the decrease ofλ,the ultimate strength slightly increases in the TT or PT structure ofγ-TiAl,which follows the Hall-Petch *** in general,the interfacial spacing has a slight effect on the ultimate strengths of these four structures ofγ-TiAl.

关键词： Lamellarγ-TiAl alloys γ/γinterface Ultimate strength Interfacial spacing

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