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Phase field modeling of grain stability of nanocrystalline alloys by explicitly incorporating mismatch strain

Rare Metals 2024年第7期43卷 3370-3382页

作者： Min Zhou Hong-Hui Wu Yuan Wu Hui Wang Xiong-Jun Liu Sui-He Jiang Xiao-Bin Zhang Zhao-Ping Lu Beijing Advanced Innovation Center for materials Genome Engineering State Key Laboratory for Advanced Metals and MaterialsUniversity of Science and Technology BeijingBeijing 100083Cnina Institute for Carbon Neutrality University of Science and TechnologyBeijing 100083China Institute of materials Intelligent Technology Liaoning Academy of MaterialsShenyang 110004China

Ab st ra ct Nanocrystalline materials exhibit unique properties due to their extremely high grain boundary(GB) ***,this high-density characteristic induces grain coarsening at elevated temperatures,thereby limiting the widespread application of nanocrystalline *** experimental observations revealed that GB segregation and second-phase pinning effectively hinder GB migration,thereby improving the stability of nanocry stalline *** this study,a mouified phase-field model that integrates mismatch strain,solute segregation and precipitation was developed to evaluate the influence of lattice misfit on the thermal stability of nanocrystalline *** simulation results indicated that introducing a suitable mismatch strain can effectively enhance the microstructural stability of nanocrystalline *** synergizing precipitation with an appropriate lattice misfit,the formation of second-phase particles in the bulk grains can be suppressed,thereby facilitating solute segregation/precipitation at the *** concentrated solute segregation and precipitation at the GBs effectively hinders grain migration,thereby preventing grain *** findings provide a new perspective on the design and regulation of nanocrystalline alloys with enhanced thermal stability.

关键词： Phase field model Mismatch strain Second-phase precipitation Grain boundary segregation Nanocrystalline alloys

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State of the art of lightweight aggregates used in lightweight refractories for working lining of high-temperature furnaces

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Journal of Iron and Steel Research International 2024年第6期31卷 1320-1343页

作者： Wei Zhang Wen-yong Dai shenyang National laboratory for materials science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016LiaoningChina Research and Development Department AGC Plibrico(Dalian)Industries Inc.Dalian 116600LiaoningChina

Lightweight refractories for the working lining of high-temperature furnaces play an important role in the smelting of advanced steels and *** prepare lightweight refractories for the working lining of high-temperature furnaces,the synthesis of lightweight aggregates is the ***,the research on the synthesis of lightweight aggregates with high service temperature,low thermal conductivity,high strength,and good slag resistance has received widespread *** available literature on the synthesis of lightweight aggregates was summarized,including corundum,mullite,mullite-corundum,spinel,corundum-spinel,cordierite,cordierite-mullite,calcium hexaluminate,corundum-calcium hexaluminate,bauxite,magnesia,magnesia-based,and forsterite-based ***,the future development trend of lightweight aggregates was proposed.

关键词： Lightweight aggregate Lightweight refractory Working lining Apparent porosity Closed porosity Thermal conductivity Pore-forming approach

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Review on the design of high-strength and hydrogen-embrittlement-resistant steels

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International Journal of Minerals,Metallurgy and materials 2024年第7期31卷 1572-1589页

作者： Zhiyu Du Rongjian Shi Xingyu Peng Kewei Gao Xiaolu Pang Beijing Advanced Innovation Center for materials Genome Engineering School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing 100083China Institute for materials Intelligent Technology Liaoning Academy of MaterialsShenyang 110010China

Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement *** is crucial in enhancing toughness and ensuring the utilization of hydrogen in emerging iron and steel ***,the pursuit of enhanced metallic materials presents a cross-disciplinary scientific and engineering *** high-strength,toughened steel with both enhanced strength and hydrogen embrittlement(HE)resistance holds significant theoretical and practical *** ensures secure hydrogen utilization and further carbon neutrality objectives within the iron and steel *** on the design principles of high-strength steel HE resistance,this review provides a comprehensive overview of research on designing surface HE resistance and employing nanosized precipitates as intragranular hydrogen *** also proposes feasible recommendations and prospects for designing high-strength steel with enhanced HE resistance.

关键词： hydrogen embrittlement surface design hydrogen traps nanosized precipitates

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Spontaneous anchoring Cl intoα-Co(OH)_(2) as efficient and stable oxygen reduction electrocatalysts for seawater battery

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Rare Metals 2024年第7期43卷 3074-3083页

作者： Wang Zheng Xue-Rong Zheng Qi Lu Yan-Hui Cao Yang Wang Hai-Peng Fu Jin-Feng Zhang Yi-Da Deng Wen-Bin Hu School of materials science and Engineering Key Laboratory of Advanced Ceramics and Machining Technology of Ministry of EducationTianjin UniversityTianjin 300072China State Key laboratory of Marine Resource Utilization in South China Sea School of Materials Science and EngineeringHainan UniversityHaikou 570228China Key laboratory of Electromagnetic Processing of materials Ministry of EducationNortheastern UniversityShenyang 110819China

Seawater battery is an advanced energy storage system that enables conversion of chemical energy to electricity by consuming metals,dissolved oxygen and seawater in anode,cathode and electrolyte,***,the oxygen reduction reaction(ORR)activity and stability of electrocatalysts can be easily deactivated due to the severe Cl~-permeation and corrosion in seawater ***,we developed a structural buffer engineering strategy by spontaneously anchoring Cl~-intoα-Co(OH)_(2) as efficient and stable ORR electrocatalysts,in which the ultrathinα-Co(OH)_(2) nanosheets were synthesized using an ultrafast solution high-temperature shock(SHTS)*** large lattice space(~0.8 nm)of layeredα-Co(OH)_(2) ensured the spontaneously penetration of Cl~-into the lattice structure and replaced part of OH~-to formα-Co(OH)_(2-x)Cl_*** continuous leaching and compensating of saturated Cl inα-Co(OH)_(2-x)Cl_x could enhance the Cl~-corrosion resistance and modulate electronic structure of Co metallic sites,thus improving the ORR electrocatalytic activity and stability in seawater ***α-Co(OH)_(2-x)Cl_x seawater batteries display superior onset and half-wave potentials of 0.71 and 0.66 V,respectively,which are much better than the counterparts ofα-Co(OH)_(2) and ofβ-Co(OH)_(2) with no Cl~-penetrating and no buffer ***α-Co(OH)_(2-x)Cl_x-based seawater batteries display stable open-circuit potential of 1.69 V and outstanding specific capacity of 1345 mAh·g^(-1).

关键词： Seawater battery Oxygen reduction electrocatalyst Solution high-temperature shock Structural buffer engineering

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Impurity formation mechanism of silicon carbide crystals smelted by Acheson process

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Journal of Iron and Steel Research International 2024年第6期31卷 1367-1375页

作者： Dong Feng Hong-qiang Ru Xu-dong Luo Jie-gang You Ling Zhang School of materials and Metallurgy University of Science and Technology LiaoningAnshan 114051LiaoningChina Key laboratory for Anisotropy and Texture of materials(Ministry of Education) Institute of Advanced CeramicsSchool of Materials Science and EngineeringNortheastern UniversityShenyang 110819LiaoningChina Liaoning Institute of science and Technology Benxi 117004LiaoningChina

In order to further promote the application of SiC refractories in modern steel metallurgy,the occurrence forms and formation mechanism of impurities in SiC crystals smelted by Acheson process were *** techniques of inductively coupled plasma-atomic emission spectrometry,X-ray diffraction,and scanning electron microscopy were combined to examine the types and occurrence forms of impurities in smelted SiC *** results showed that the main impurities in the SiC are free Si,free C,oxides(CaO·Al_(2)O_(3)·2SiO_(2),3Al_(2)O_(3)·2SiO_(2),CaO·SiO_(2) and SiO_(2))and alloy phases(Fe_(x)Si_(y),Fe_(x)Si_(y)Ti_(z) and Fe_(x)Al_(y)Si_(z)).The formation process of impurities during the smelting of SiC can be described as follows:At high temperature,the SiO_(2) and Fe,Ti related oxide impurities present in the raw materials are reduced to Si,Fe,and Ti metal *** the reduction process,the free Si,Fe_(x)Si_(y) and Fe_(x)Si_(y)Ti_(z) are precipitated from the melt during *** Si primarily exists in aggregated form within the SiC crystal,while the alloy phase is predominantly found at the interface between SiC and free Si,with Fe_(x)Si_(y)Ti_(z) embedded within *** the end of the cooling process,other impurity oxides such as Al_(2)O_(3),CaO,and some unreduced SiO_(2) solidify to form calcium-aluminum-silicate glass phases,predominantly located between SiC *** remaining C from the reaction is mainly dispersed as free C within the SiC crystal and at the interface between SiC and free Si.

关键词： Impurity element Formation mechanism Smelted SiC crystal SiC refractory Occurrence form

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Giant reversible barocaloric effects with high thermal cycle stability in epoxybonded(MnCoGe)_(0.96)(CuCoSn)_(0.04) composite

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International Journal of Minerals,Metallurgy and materials 2024年第11期31卷 2528-2534页

作者： Yafei Kuang Kun Tao Bo Yang Peng Tong Yan Zhang Zhigang Sun Kewei Zhang Dunhui Wang Jifan Hu Liang Zuo College of materials science and Engineering Taiyuan University of Science and TechnologyTaiyuan 030024China Shanxi Key laboratory of Magnetic and Electric Functional materials and Applications Taiyuan University of Science and TechnologyTaiyuan 030024China Key laboratory of materials Physics Institute of Solid State PhysicsChinese Academy of SciencesHefei 230031China Key laboratory for Anisotropy and Texture of materials(Ministry of Education) School of Materials Science and EngineeringNortheastern UniversityShenyang 110819China School of Electronics and Information Hangzhou Dianzi UniversityHangzhou 310018China

Hexagonal MnMX-based(M=Co or Ni,X=Si or Ge)alloys exhibit giant reversible barocaloric ***,giant volume expansion would result in the as-cast MnMX ingots fragmenting into powders,and inevitably bring the deterioration of mechanical properties and *** fragmentation can bring degradation of structural transformation entropy change during cyclic application and removal of *** this paper,giant reversible barocaloric effects with high thermal cycle stability can be achieved in the epoxy bonded(MnCoGe)0.96(CuCoSn)0.04 *** reversible isothermal entropy change of 43.0 J·kg^(−1)·K^(−1) and adiabatic temperature change from barocaloric effects(ΔT_(BCE))of 15.6 K can be obtained within a wide temperature span of 30 K at 360 MPa,which is mainly attributed to the integration of the change in the transition temperature driven by pressure of−101 K·GPa^(−1) and suitable thermal hysteresis of 11.1 ***,the variation of reversibleΔ_(TBCE) against the applied hydrostatic pressure reaches up to 43 K·GPa^(−1),which is at the highest level among the other reported giant barocaloric *** importantly,after 60 thermal cycles,the composite does not break and the calorimetric curves coincide well,demonstrating good thermal cycle stability.

关键词： barocaloric effects cycle stability reversible isothermal entropy change reversible adiabatic temperature change MnCoGe alloys

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Construction of MoP/MoS_(2) Core-shell Structure Electrocatalyst for Boosting Hydrogen Evolution Reaction

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Chemical Research in Chinese Universities 2024年第3期40卷 490-498页

作者： MENG Dan RAN Shunjiang GAO Ling ZHANG Yue SAN Xiaoguang ZHANG Lei LI Ruixiang JIN Quan College of Chemical Engineering Shenyang University of Chemical TechnologyShenyang 110142P.R.China Key laboratory of Automobile materials(Ministry of Education) School of Materials Science and EngineeringJilin UniversityChangchun 130022P.R.China

Hydrogen energy stands out as one of the most promising alternative energy sources due to its cleanliness and *** water splitting offers a sustainable pathway for hydrogen ***,the kinetic rate of the hydrogen evolution reaction(HER)is sluggish,emphasizing the critical need for stable and highly active electrocatalysts to facilitate HER and enhance reaction *** metal-based catalysts have garnered attention for their favorable catalytic activity in electrochemical hydrogen evolution in alkaline *** this investigation,flower-like nanorods of MoS_(2) were directly synthesized in situ on a nickel foam substrate,followed by the formation of MoP/MoS_(2)-nickel foam(NF)heterostructures through high-temperature phosphating in a tube furnace *** findings reveal that MoP/MoS_(2)-NF-450 exhibits outstanding electrocatalytic performance in an alkaline milieu,demonstrating a low overpotential(90 mV)and remarkable durability at a current density of 10 mA/cm^(2).Comprehensive analysis indicates that the introduction of phosphorus(P)atoms enhances the synergistic effect with MoS_(2),while the distinctive flower-like nanorod structure of MoS_(2) exposes more active ***,the interface between the MoP/MoS_(2) heterostructure and NF facilitates electron transfer during hydrogen evolution,thereby enhancing electrocatalytic *** design and synthesis of such catalysts offer a valuable approach for the development of high-performance hydrogen evolution electrocatalysts.

关键词： MoP/MoS_(2) Core-shell structure Heterostructure Synergistic effect Hydrogen evolution reaction

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Highly sensitive nanozyme strip:An effective tool for forensic material evidence identification

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Nano Research 2024年第3期17卷 1785-1791页

作者： Juanji Hong Zhanjun Guo Dihan Duan Yi Zhang Xin Chen Yongjiu Li Zheng Tu Lei Feng Lei Chen Xiyun Yan Lizeng Gao Minmin Liang Demin Duan Experimental Center of Advanced materials School of Materials Science&EngineeringBeijing Institute of TechnologyBeijing 100081China College of Bioscience and Biotechnology Shenyang Agricultural UniversityShenyang 110866China Chongqing kangjuquanhong biology science and technology Co. ltdChongqing 400026China Key laboratory of Forensic Genetics Institute of Forensic ScienceMinistry of Public SecurityBeijing 100038China CAS Engineering laboratory for Nanozyme Key Laboratory of BiomacromoleculesInstitute of BiophysicsChinese Academic of ScienceBeijing 100101China

During criminal case investigations,blood evidence tracing is critical for criminal ***,the blood stains are often cleaned or covered up after the crime,resulting in trace residue and difficult ***,a highly sensitive and specific method for the rapid detection of human blood stains remains *** solve this problem,we established a nanozyme-based strip for rapid detection of blood evidence with high sensitivity and *** construct reliable nanozyme strips,we synthesized CoFe_(2)O_(4) nanozymes with high peroxidase-like activity by scaling up to gram level,which can be supplied for six million tests,and conjugated antibody as a detection probe in nanozyme *** developed CoFe_(2)O_(4) nanozyme strip can detect human hemoglobin(HGB)at a concentration as low as 1 ng/mL,which is 100 times lower than the commercially available colloidal gold strips(100 ng/mL).Moreover,this CoFe_(2)O_(4) nanozyme strip showed high generality on 12 substrates and high specificity to human HGB among 13 animal blood ***,we applied the developed CoFe_(2)O_(4) nanozyme strip to successfully detect blood stains in three real cases,where the current commercial colloidal gold strip failed to *** results suggest that the CoFe_(2)O_(4) nanozyme strip can be used as an effective on-scene detection method for human blood stains,and can further be used as a long-term preserved material evidence for traceability inquiry.

关键词： CoFe_(2)O_(4)nanozyme nanozyme strip peroxidase-like activity human hemoglobin blood evidence

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Well-dispersed Sb particles embedded on N-doped carbon nanofibers toward high-performance Li-ion battery

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Rare Metals 2024年第7期43卷 2994-3006页

作者： Ying Li Yi-Han Zhao Lu-Lu Zhao Peng-Fei Wang Ying Xie Ting-Feng Yi School of materials science and Engineering Northeastern UniversityShenyang 110819China Key laboratory of Dielectric and Electrolyte Functional Material Hebei Province School of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao 066004China Key laboratory of Functional Inorganic Material Chemistry Ministry of EducationSchool of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080China

The alloy-type material Sb is widely used in the anode materials of lithium-ion batteries(LIBs)due to its high theoretical specific ***,its serious volume expansion problem during alloying/dealloying of Li~+limits its practical *** this work,C-Sb composite was constructed as anode material of LIBs by electrospinning route for the first time,Sb was introduced into the polyacrylonitrile-based hard carbon and coal tar pitch-based soft carbon composite amorphous carbon fiber with a diameter of 300-600 nm,which realized high cycling *** C-Sb-2(the mass ratio of polyacrylonitrile to Sb source is 1:2)electrode displayed charge capacities of 1098.5,930.3,841.7,753.5,643.9 and 545.8 mAh·g^(-1)at 0.1,0.2,0.3,0.5,1 and 2 A·g^(-1),*** when the current density returned to 0.1 A·g^(-1),the charge capacity was 939.3 mAh·g^(-1),revealing good stability and *** introduction of Sb into the amorphous carbon improved its conductivity and addressed the volume expansion issue of high specific capacity Sb during charge/***-situ XRD analysis confirmed the high reversibility of the C-Sb-2 during charging and *** functional theory(DFT)calculations revealed the gradual enhancement of the interface interaction between Sb_(x)Li_(y) and amorphous carbon(AMC)with increasing lithium content,contributing to the anchoring of alloy nanoparticles on the AMC surface and buffering the volume change of the ***,the gradual lithiation of Sb facilitated the electron transfer from Sb_(x)Li_(y) to *** findings hold promise for designing lithium storage materials with exceptional performance,highlighting the potential of C-Sb composites as anode materials for efficient next-generation lithium storage.

关键词： Li-ion battery Metallic Sb Carbon Electrospinning Cycling stability

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High-rate electrochemical H_(2)O_(2) production over multimetallic atom catalysts under acidic–neutral conditions

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Carbon Energy 2024年第1期6卷 44-62页

作者： Yueyu Tong Jiaxin Liu Bing-Jian Su Jenh-Yih Juang Feng Hou Lichang Yin Shi Xue Dou Ji Liang Key laboratory for Advanced Ceramics and Machining Technology of Ministry of Education School of Materials Science and EngineeringTianjin UniversityTianjinChina Institute for Superconducting and Electronic materials University of WollongongInnovation CampusNorth WollongongNew South WalesAustralia Department of Electrophysics National Chiao Tung UniversityHsinchuTaiwanChina shenyang National laboratory for materials science Institute of Metal ResearchChinese Academy of SciencesShenyangLiaoningChina Institute of Energy materials science University of Shanghai for Science and TechnologyShanghaiChina

Hydrogen peroxide(H_(2)O_(2))production by the electrochemical 2-electron oxygen reduction reaction(2e−ORR)is a promising alternative to the energy-intensive anthraquinone process,and single-atom electrocatalysts show the unique capability of high selectivity toward 2e−ORR against the 4e−*** extremely low surface density of the single-atom sites and the inflexibility in manipulating their geometric/electronic configurations,however,compromise the H_(2)O_(2) yield and impede further performance ***,we construct a family of multiatom catalysts(MACs),on which two or three single atoms are closely coordinated to form high-density active sites that are versatile in their atomic configurations for optimal adsorption of essential*OOH *** them,the Cox–Ni MAC presents excellent electrocatalytic performance for 2e−ORR,in terms of its exceptionally high H_(2)O_(2) yield in acidic electrolytes(28.96 mol L^(−1) gcat.^(−1) h^(−1))and high selectivity under acidic to neutral conditions in a wide potential region(>80%,0–0.7 V).Operando X-ray absorption and density functional theory analyses jointly unveil its unique trimetallic Co2NiN8 configuration,which efficiently induces an appropriate Ni–d orbital filling and modulates the*OOH adsorption,together boosting the electrocatalytic 2e−ORR *** work thus provides a new MAC strategy for tuning the geometric/electronic structure of active sites for 2e−ORR and other potential electrochemical processes.

关键词： hydrogen peroxide production multiatom catalysts operando X-ray adsorption spectrum reaction mechanism tendency structure-property relation

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