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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 materials 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

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A molecular insight into coke formation process of vacuum residue in thermal cracking reaction

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Petroleum Science 2024年第3期21卷 2130-2138页

作者： Ji-Guang Li Xin Guo Huan-Di Hou Heavy Oil processing department Sinopec Research Institute of Petroleum Processing Co.LtdBeijing100083China

Understanding the coking behaviors has been considered to be really essential for developing better vacuum residue processing technologies.A battery of thermal cracking tests of typical vacuum residue at 410℃ with various reaction time were performed to evaluate the coke formation *** total yields of ideal components including naphtha,atmospheric gas oil(AGO)and vacuum gas oil(VGO)of thermal cracking reactions increased from 10.89%to 40.81%,and the conversion ratios increased from8.05%to 43.33%with increasing the reaction time from 10 to 70 *** asphaltene content increased from 12.14%to a maximum of 22.39%and then decreased,and this maximum of asphaltene content occurred at the end of the coking induction *** asphaltenes during the coking induction period,at the end and after coking induction period of those tested thermal cracking reactions were characterized to disclose the structure changing rules for coke formation process,and the coke formation pathways were discussed to reveal the coke formation process at molecular level.

关键词： Vacuum residue Thermal cracking Asphaltene Coking induction period Sulfur Nitrogen

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Realizing efficient emission and triple-mode photoluminescence switching in air-stable tin(IV)-based metal halides via antimony doping and rational structural modulation

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Aggregate 2024年第1期5卷 257-269页

作者： Xuefei He Hui Peng Qilin Wei Zhijie Zhou Guolun Zhang Zhentao Du Jialong Zhao Bingsuo Zou department of materials Physics and Chemistry State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite StructuresMOE Key Laboratory of New Processing Technology for Nonferrous Metals and Materialsand School of ResourcesEnvironment and MaterialsGuangxi UniversityNanningChina

Recently,many lead-free metal halides with diverse structures and highly efficient emission have been ***,their poor stability and single-mode emission color severely limit their ***,three homologous Sb^(3+)-doped zero-dimensional(0D)air-stable Sn(IV)-based metal halides with different crystal structures were developed by inserting a single organic ligand into SnCl_(4)lattice,which brings different optical *** photoexcitation,(C_(25)H_(22)P)SnC_(l5)@Sb⋅CH_(4O)(Sb^(3+)−1)does not emit light,(C_(25)H_(22)P)_(2)SnC_(l6)@Sb-α(Sb^(3+)−2α)shines bright yellow emission with a photoluminescence quantum yield(PLQY)of 92%,and(C_(25)H_(22)P)_(2)SnC_(l6)@Sb-β(Sb^(3+)−2β)exhibits intense red emission with a PLQY of 78%.The above three compounds show quite different optical properties should be due to their different crystal structures and the lattice ***,Sb^(3+)−1 can be successfully converted into Sb^(3+)−2αunder the treatment of C_(25)H_(22)PCl solution,accompanied by a transition from nonemission to efficient yellow emission,serving as a“turn-on”photoluminescence(PL)***,a reversible structure conversion between Sb^(3+)−2αand Sb^(3+)−2βwas witnessed after dichloromethane or volatilization treatment,accompanied by yellow and red emission ***,a triple-mode tunable PL switching of off-onI-onII can be constructed in Sb^(3+)-doped Sn(IV)-based ***,we demonstrated the as-synthesized compounds in fluorescent anticounterfeiting,information encryption,and optical logic gates.

关键词： information encryption Sb^(3+)-doping Sn(IV)-based metal halides structural modulation triple-mode

Alloy design for laser powder bed fusion additive manufacturing:a critical review

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International Journal of Extreme Manufacturing 2024年第2期6卷 29-63页

作者： Zhuangzhuang Liu Qihang Zhou Xiaokang Liang Xiebin Wang Guichuan Li Kim Vanmeensel Jianxin Xie Key Laboratory for Advanced materials processing(MOE) Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083People’s Republic of China Beijing Advanced Innovation Center for materials Genome Engineering University of Science and Technology BeijingBeijing 100083People’s Republic of China Beijing Laboratory of Metallic materials and processing for Modern Transportation Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083People’s Republic of China Capital Aerospace Machinery Corporation Limited Beijing 100076People’s Republic of China Key Laboratory for Liquid-Solid Structural Evolution and processing of materials(Ministry of Education) Shandong UniversityJingshi Road 17923Jinan 250061People’s Republic of China department of materials Engineering KU LeuvenLeuven 3001Belgium

Metal additive manufacturing(AM)has been extensively studied in recent *** the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using existing alloys for laser powder bed fusion(L-PBF)AM have *** challenges arise because commercial alloys are primarily designed for conventional casting or forging processes,overlooking the fast cooling rates,steep temperature gradients and multiple thermal cycles of *** address this,there is an urgent need to develop novel alloys specifically tailored for L-PBF *** review provides a comprehensive summary of the strategies employed in alloy design for *** aims to guide future research on designing novel alloys dedicated to L-PBF instead of adapting existing *** review begins by discussing the features of the L-PBF processes,focusing on rapid solidification and intrinsic heat ***,the printability of the four main existing alloys(Fe-,Ni-,Al-and Ti-based alloys)is critically assessed,with a comparison of their conventional *** was found that the weldability criteria are not always applicable in estimating ***,the review presents recent advances in alloy development and associated strategies,categorizing them into crack mitigation-oriented,microstructure manipulation-oriented and machine learning-assisted ***,an outlook and suggestions are given to highlight the issues that need to be addressed in future work.

关键词： laser powder bed fusion alloy design printability crack mitigation

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A double-network porous hydrogel based on high internal phase emulsions as a vehicle for potassium sucrose octasulfate delivery accelerates diabetic wound healing

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Regenerative Biomaterials 2024年第4期3卷 82-97页

作者： Zhiwei Wang Lingshun Sun Weixing Wang Zheng Wang Ge Shi Honglian Dai Aixi Yu department of Orthopedics Trauma and Microsurgery Zhongnan Hospital of Wuhan UniversityWuhan 430070China State Key Laboratory of Advanced Technology for materials Synthesis and processing Biomedical Materials and Engineering Research Center of Hubei ProvinceWuhan University of TechnologyWuhan 430070China

Diabetic wounds are a difficult medical *** secretion of matrix metalloproteinase-9(MMP-9)in diabetic wounds further degrades the extracellular matrix and growth factors and causes severe vascular damage,which seriously hinders diabetic wound *** solve these issues,a double-network porous hydrogel composed of poly(methyl methacrylate-co-acrylamide)(p(MMA-co-AM))and polyvinyl alcohol(PVA)was constructed by the high internal phase emulsion(HIPE)technique for the delivery of potassium sucrose octasulfate(PSO),a drug that can inhibit MMPs,increase angiogenesis and improve *** hydrogel possessed a typical polyHIPE hierarchical microstructure with interconnected porous morphologies,high porosity,high specific surface area,excellent mechanical properties and suitable swelling ***,the p(MMA-co-AM)/PVA@PSO hydrogel showed high drug-loading performance and effective PSO *** addition,both in vitro and in vivo studies showed that the p(MMA-co-AM)/PVA@PSO hydrogel had good biocompatibility and significantly accelerated diabetic wound healing by inhibiting excessive MMP-9 in diabetic wounds,increasing growth factor secretion,improving vascularization,increasing collagen deposition and promoting ***,this study provided a reliable therapeutic strategy for diabetic wound healing,some theoretical basis and new insights for the rational design and preparation of wound hydrogel dressings with high porosity,high drug-loading performance and excellent mechanical properties.

关键词： high internal phase emulsions double-network porous hydrogel drug delivery diabetic wound healing sucrose octasulfate

Low-temperature-pyrolysis preparation of nanostructured graphite towards rapid potassium storage with high initial Coulombic efficiency

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Nano Research 2024年第6期17卷 5138-5147页

作者： Jingke Ren Boyu Xing Wen Luo Binyang Luo Xinfei Wu Xin Yan Wencong Feng Feiyue Wang Chaojie Cheng Liqiang Mai State Key Laboratory of Advanced Technology for materials Synthesis and processing Wuhan University of TechnologyWuhan 430070China department of Physics School of ScienceWuhan University of TechnologyWuhan 430070China

Industrially prepared artificial graphite(AG)is attractive for potassium-ion batteries(PIBs),but its rate performance is poor and the production process is energy intensive,so developing an efficient strategy to produce novel graphite with low energy consumption and high performance is economically ***,a nanostructured graphite composed of multi-walled carbon nanotubes(MWCNTs)and graphite shells was prepared by one-pot method through low-temperature pyrolysis of iron-based metal-organic framework(MOF)and carbon *** high graphitization degree of nanostructured graphite makes the initial Coulombic efficiency(ICE)exceed 80%,and the three-dimensional(3D)conductive network ensures a specific capacity of 234 mAh·g^(−1)after 1000 cycles at a high current density of 500 mA·g^(−1).In addition,the typical graphite potassium storage mechanism is also demonstrated by in situ X-ray diffraction(XRD)and in situ Raman spectroscopy,and its practicality is also proved by the voltage of the full *** work provides a feasible way to optimize the practical production process of AG and expand its application in energy storage.

关键词： graphite anode potassium-ion batteries high graphitization degree low-temperature pyrolysis initial Coulombic efficiency

Strategy for suppressing abnormal grain growth of ZK60 Mg alloy during solution by pre-compression:A quasi-in-situ study

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Journal of materials Science & Technology 2024年第4期171卷 115-128页

作者： Zhenxu Wang Liang Chen Jianwei Tang Cunsheng Zhang Guoqun Zhao Key Laboratory for Liquid-Solid Structural Evolution and processing of materials(Ministry of Education) Shandong UniversityJinanShandong 250061China department of Mechanical Engineering Kyushu UniversityFukuoka 819-0395Japan

Abnormal grain growth(AGG)easily takes place in Mg alloys during high-temperature solutions,result-ing in deterioration of mechanical ***,the compression prior to solution(pre-compression)was conducted to suppress AGG,and the microstructure evolution as well as suppressing mechanisms was investigated based on quasi-in-situ *** compression along the transverse direction,//ED grains preferentially nucleated and rapidly grew up,and the initial//ED texture was *** grain growth modes of heat-induced and strain-induced grain boundary migrations were *** former was attributed to the high interfacial energy of grain boundaries with large *** latter consumed the adjacent grains with high storage energy,forming abnormal grains with irregular *** compression with a reduction>6%could obviously suppress *** suppressing effects were mainly attributed to weakening the size advantage of//ED grains,increasing nucleation,reducing grain boundary character distribution,and redistributing storage energy *** 12%compression along the transverse direction,30°misorientation of//ED grains and high energy grain boundaries were ***{10-12}tensile twins and{10-15}high index twins induced by com-pression increased the nucleation of static ***,compression introduces high-density dislocations,which also contributed to suppressing AGG behavior during solution.

关键词： Quasi-in-situ analysis Mg alloy Abnormal grain growth Compression Microstructure

Microstructural evolution and deformation behavior of friction stir welded twin-induced plasticity steel

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Journal of materials Science & Technology 2024年第2期169卷 68-81页

作者： Ke Qiao Kuaishe Wang Jia Wang Zhengyang Hao Yating Xiang Peng Han Jun Cai Qi Yang Wen Wang School of Metallurgical Engineering National and Local Joint Engineering Research Center for Functional Materials ProcessingXi’an University of Architecture and TechnologyXi’an 710055China Shanghai Research Institute of materials Shanghai 200437China

The weldability of twin-induced plasticity(TWIP)steel with ultra-high strength via friction stir welding(FSW)technique was investigated,and microstructural evolution and deformation behavior of whole and micro-zones of FSW TWIP joint were studied for the first *** results showed that the content of recrystallized grains in the stir zone(SZ)increased from 10.5%of basal material(BM)to 14.2%,and that of heat affected zone(HAZ)increased to 78.6%.The percentage of annealing twins decreased from 26.8%in BM to 11%in SZ,while increased to 35%in *** with the BM,the ultimate tensile strength and yield strength of the FSW joint increased to 1036 and 550 MPa,respectively,reaching 106.7%and 110.9%of BM,*** elongation of the entire joint was 50.5%,which was lower than that of BM due to the nonuniform deformation during the tensile *** engineering strain was mainly concentrated in BM and SZ and transferred to each other during the tensile test,while the engineering strain in HAZ was always the ***,the tensile fracture occurred in the *** order of ultimate tensile strength of micro-zones in the FSW joint was as follows:HAZ>BM≈*** order of yield strength was as follows:HAZ>BM>SZ.

关键词： Twin-induced plasticity steel Friction stir welding Microstructure Mechanical property Deformation behavior

Targeted regeneration and upcycling of spent graphite by defect‐driven tin nucleation

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Carbon Energy 2024年第4期6卷 91-103页

作者： Zhiheng Cheng Zhiling Luo Hao Zhang Wuxing Zhang Wang Gao Yang Zhang Long Qie Yonggang Yao Yunhui Huang Kun Kelvin Fu State Key Laboratory of materials processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhanChina Key Laboratory of Automobile materials(Jilin University) Ministry of EducationDepartment of Materials Science and EngineeringJilin UniversityChangchunChina Electronic materials Research Laboratory(Key Lab of Education Ministry) School of Electronic and Information Engineeringand Instrumental Analysis CenterXi'an Jiaotong UniversityXi'anChina department of Mechanical Engineering University of DelawareNewarkUSA

The recycling of spent batteries has become increasingly important owing to their wide applications,abundant raw material supply,and sustainable *** with the degraded cathode,spent anode graphite often has a relatively intact structure with few defects after long ***,most spent graphite is simply burned or discarded due to its limited value and inferior performance on using conventional recycling methods that are complex,have low efficiency,and fail in performance ***,we propose a fast,efficient,and“intelligent”strategy to regenerate and upcycle spent graphite based on defect‐driven targeted *** Sn as a nanoscale healant,we used rapid heating(~50 ms)to enable dynamic Sn droplets to automatically nucleate around the surface defects on the graphite upon cooling owing to strong binding to the defects(~5.84 eV/atom),thus simultaneously achieving Sn dispersion and graphite *** a result,the regenerated graphite showed enhanced capacity and cycle stability(458.9 mAh g^(−1) at 0.2 A g^(−1) after 100 cycles),superior to those of commercial *** from the self‐adaption of Sn dispersion,spent graphite with different degrees of defects can be regenerated to similar structures and *** analysis indicates that targeted regeneration and upcycling have significantly lower energy consumption(~99%reduction)and near‐zero CO_(2) emission,and yield much higher profit than hydrometallurgy,which opens a new avenue for direct upcycling of spend graphite in an efficient,green,and profitable manner for sustainable battery manufacture.

关键词： battery recycling spent graphite targeted regeneration upcycling graphite