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Multiscale microstructural consideration of enhanced shear strength in TiAl intermetallic/K4169 alloy composite joints prepared by vacuum brazing with(Ti,Zr)-Ni-based amorphous filler metal

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Journal of materials science & Technology 2024年第5期172卷 51-70页

作者： Liangliang Zhang Honggang Dong Peng Li Baosheng Wu Yueting Ma Libing Huang Chao Li Jiachen Li school of materials science and engineering Dalian University of TechnologyDalian 116024China

TiAl intermetallic could be used to replace Ni-based alloy in assemblies to generate excellent specific strength.A(Ti,Zr)-Ni-based amorphous filler metal Ti_(21.25)Zr_(25)Ni_(25)Cu_(18.75)(at.%)was designed using a cluster-plus-glue-atom model to successfully vacuum braze K4169 and TiAl bimetallic *** various brazing temperatures and holding time,the quantitative relationships between lattice distortion,grain boundary,dislocation density,and hardness,elastic modulus,shear strength of the joints were ***,the fracture mechanism of the joints was *** brazed seam mainly consisted of solid diffusion reaction layers(ZonesⅠandⅢ)and filler metal residue zone(ZoneⅡ).When the brazing temperature increased to 1030℃,grain refinement occurred in the brazed ***Ⅰwas primarily composed of(Ni)ss[0-11]+TiNi[011]/(Cr,Fe,Ni)ss[0-11]/(Ti,Zr)Ni[0-1-1]+(Cr,Fe,Ni)ss[0-11].The(Ti,Zr)(Ni,Cu)[001]and(Ti,Zr)(Ni,Cu)[101]intermetallic compound-based solid solutions were formed in ZoneⅡ.And the lattice distortion of(Ti,Zr)(Ni,Cu)[101]and(Ti,Zr)(Ni,Cu)[001]was 32.05%and 14.82%,*** a result,the proportion of low angle grain boundaries(LAGBs)and deformed grains in ZoneⅡrose to 38.6%and 38.7%.In ZonesⅠandⅢ,the proportion of LAGBs reduced to 8%and 3.4%,*** the holding time increased,the long-range diffusion of Al in ZoneⅡcaused the(Ti,Zr)(Ni,Cu)[001]with cubic structure to transform into(Ti,Zr)(Ni,Cu,Al)[00-1]with hexagonal crystal system structure,where the lattice distortion was 4.42%and 10.49%for a and *** 1030℃/10 min,the average geometrically nec-essary dislocation densities(GNDs)in ZonesⅠ,ⅡandⅢwere 9.87×10^(14)m^(-2),8.55×10^(14)m^(-2)and 11.4×10^(14)m^(-2),***,the shear strength of joints reached 322 MPa due to the lattice distortion,dislocation strengthening and fine grain ***,the plastic and brittle hard phases were generated in ZoneⅡand displayed a mechanical interlocking structure tha

关键词： K4169/Ti_(21.25)Zr_(25)Ni_(25)Cu_(18.75)/TiAl composite joints Intermetallic compound-based solid solution Lattice distortion Elastic modulus

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Biomass-derived porous carbon with single-atomic cobalt toward high-performance aqueous zinc-sulfur batteries at room temperature

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Journal of Energy Chemistry 2024年第8期95卷 325-335,I0008页

作者： Shenfei Zhao Xiaoshuai Wu Jiliang Zhang Chunjie Li Zixiang Cui Weihua Hu Ruguang Ma Changming Li Institute for Clean Energy&Advanced materials School of Materials&EnergySouthwest UniversityChongqing 400715China Institute for materials science and Devices School of Materials Science and EngineeringSuzhou University of Science and TechnologySuzhou 215009JiangsuChina school of materials science and engineering Dalian Jiaotong UniversityDalian 116028LiaoningChina

Aqueous zinc-sulfur batteries at room temperature hold great potential for next-generation energy storage technology due to their low cost,safety and high energy ***,slow reaction kinetics and high activation energy at the sulfur cathode pose great challenges for the practical ***,biomass-derived carbon with single-atomic cobalt sites(MMPC-Co)is synthesized as the cathode in Zn-S *** catalysis of single-atom Co sites greatly promotes the transform of cathode electrolyte interface(CEI)on the cathode surface,while offering accelerated charge transfer rate for high conversion reversibility and large electrochemical surface area(ECSA)for high electrocatalytic ***,the rich pore structure not only physically limits sulfur loss,but also accelerates the transport of zinc *** addition,the large pore volume of MMPC-Co is able to relieve the stress effect caused by the volume expansion of Zn S during charge/discharge cycles,thereby maintaining the stability of electrode ***,the sulfur cathode maintains a high specific capacity of 729.96 m A h g^(-1)after 500 cycles at4 A g^(-1),which is much better than most cathode materials reported in the *** work provides new insights into the design and development of room-temperature aqueous Zn-S batteries.

关键词： Biomass-derived carbon Single-atom catalysts Rich pore structure Sulfur cathode Aqueous zinc-sulfur batteries

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“Blocking and rebalance” mechanism-guided design strategies of bimetallic doped 2D a-phosphorus carbide as efficient catalysts for N2 electroreduction

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Journal of Energy Chemistry 2024年第10期97卷 68-78页

作者： Cheng He Jianglong Ma Shen Xi Wenxue Zhang State Key Laboratory for Mechanical Behavior of materials School of Materials Science and Engineering Xi'an Jiaotong University school of materials science and engineering Chang'an University

Compared to single atom catalysts（SACs）,the introduction of dual atom catalysts（DACs） has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction（NRR） which provides an environmental alternative to the Haber-Bosch ***,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early ***,based on "blocking and rebalance" mechanism,45 combinations of bimetallic pair doped α-phosphorus carbide（TMATMB@PC） are investigated as efficient NRR catalysts through density functional theory and machine learning *** a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials（-0.17,-0.18,-0.14,and-0.30 V,respectively）.Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR *** mechanism of "blocking and rebalance" is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking ***,the descriptor φ is proposed with machine learning,which provides design strategies and accurate prediction for finding efficient *** work not only offers promising catalysts TMATMB@PC for NRR process but also provides design strategies by presenting the descriptor φ.

关键词： 2D α-phosphorus carbide DACs Inherent attributes Machine learning Nitrogen reduction reaction

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Surface engineering on MnO2 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 science and engineering Changsha University of Science and Technology school of materials science and engineering NanjingUniversity of Science and Technology school of materials science and engineering Shanghai JiaoTong University Department of Physics City University of Hong Kong

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 MnO2to boost the oxygen reduction *** reaction with surface hydroxy groups,La single atoms with loading amount up to 2.7 wt%are anchored onto *** 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·*** 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 MnO2,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： Electron injection Metal–air batteries Oxygen reduction reaction Single atoms Surface engineering

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Tailoring Ni based catalysts by indium for the dehydrogenative coupling of ethanol into ethyl acetate

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Green Energy & Environment 2024年第8期9卷 1321-1331页

作者： Ming Yin Jifeng Pang Jin Guo Xianquan Li Yujia Zhao Pengfei Wu Mingyuan Zheng CAS Key Laboratory of science and Technology on Applied Catalysis Dalian Institute of Chemical PhysicsChinese Academy of Sciences university of Chinese Academy of sciences school of materials science and engineering Dalian Jiaotong University

Exploring stable and robust catalysts to replace the current toxic CuCr based catalysts for dehydrogenative coupling of ethanol to ethyl acetate is a challenging but promising ***,novel NiIn based catalysts were developed by tailoring Ni catalysts with Indium （In） for this *** the optimal Ni0.1Zn0.7Al0.3InOx catalyst,the ethyl acetate selectivity reached 90.1%at 46.2%ethanol conversion under the conditions of 548 K and a weight hourly space velocity of 1.9 h-1in the 370 h time on ***,the ethyl acetate productivity surpassed1.1 gethyl acetateg-1catalysth-1,one of the best performance in current *** to catalyst characterizations and conditional experiments,the active sites for dehydrogenative coupling of ethanol to ethyl acetate were proved to be Ni4In *** presence of In tailored the chemical properties of Ni,and subsequently inhibited the C±C cracking and/or condensation reactions during ethanol *** Ni4In alloy sites,ethanol was dehydrogenated into acetaldehyde,and then transformed into acetyl species with the removal of H ***,the coupling between acetyl species and surface-abundant ethoxyde species into ethyl acetate was achieved,affording a high ethyl acetate selectivity and catalyst stability.

关键词： Dehydrogenative coupling Ethanol Ethyl acetate Nickel and indium alloys

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Effect of VEGF/GREDVY Modified Surface on Vascular Cells Behavior

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Journal of Wuhan university of Technology(materials science) 2024年第1期39卷 244-254页

作者：魏来 TAN Jianying LI Li WANG Huanran LIU Sainan ZENG Zheng LIU Tao WANG Jian 陈俊英 WENG Yajun school of materials science and engineering Southwest Jiaotong UniversityChengdu 610031 China

We synthesized B-He/B-GREDVY and immobilized them on avidin-coated *** examine the immobilization of molecules in the material, the following experiments were performed:fluorescein isothiocyanate(FITC) fluorescence staining, water contact angle and atomic force microscopy(AFM) measurements. Besides, the biological evaluation experiments were also performed, such as platelets adhesion and activation, the culturing of smooth muscle cells(SMC) and endothelial cells(EC). These experimental results show that the modified surfaces could prevent the hyperproliferation of SMC, and promote the proliferation and migration of EC and EPC. Furthermore, the adding of VEGF improved the EC adhesion in a dynamic environment. Generally, it is expected that the modified surfaces could be used to accelerate the formation of the newly endothelial layer for the construction of platforms for coronary artery stent therapy.

关键词： biotin-GREDVY VEGF anticoagulation endothelial cells endothelial progenitor cells

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Transformation of long-period stacking ordered structures in Mg-Gd-Y-Zn alloys upon synergistic characterization of first-principles calculation and experiment and its effects on mechanical properties

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Journal of Magnesium and Alloys 2024年第5期12卷 1867-1879页

作者： Mingyu Li Guangzong Zhang Siqi Yin Changfeng Wang Ying Fu Chenyang Gu Renguo Guan school of materials science and engineering Northeastern UniversityShenyang 110819China Key Laboratory of Near-Net Forming of Light Metals of Liaoning Province Dalian Jiaotong UniversityDalian 116028China engineering Research Center of Continuous Extrusion Ministry of EducationDalian Jiaotong UniversityDalian 116028China Songshan Lake materials Laboratory Dongguan 523808China

Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are *** transformation process of long-period stacking ordered(LPSO)structure during solidification and heat treatment and its effect on the mechanical properties of experimental alloys are *** reveal that the stacking faults and 18R LPSO phases appear in the as-cast Mg-10Gd-4Y-1Zn-0.6Zr and Mg-10Gd-4Y-2Zn-0.6Zr alloys,*** solution treatment,the stacking faults and 18R LPSO phase transform into 14H LPSO *** Enthalpies of formation and reaction energy of 14H and 18R LPSO are calculated based on *** show that the alloying ability of 18R is stronger than that of *** reaction energies show that the 14H LPSO phase is more stable than the 18R *** elastic properties of the 14H and 18R LPSO phases are also evaluated by first-principles calculations,and the results are in good agreement with the experimental *** precipitation of LPSO phase improves the tensile strength,yield strength and elongation of the *** solution treatment,the Mg-10Gd-4Y-2Zn-0.6Zr alloy has the best mechanical properties,and its ultimate tensile strength and yield strength are 278.7 MPa and 196.4 MPa,*** elongation of Mg-10Gd-4Y-2Zn-0.6Zr reaches 15.1,which is higher than that of Mg-10Gd-4Y0.6Zr *** improving mechanism of elastic modulus by the LPSO phases and the influence on the alloy mechanical properties are also analyzed.

关键词： Mg-Gd-Y-Zn alloys Long-period stacking ordered First-principles calculations Enthalpies Mechanical properties

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Single-atom Co alloyed Ru for electrocatalytic nitrite reduction to ammonia

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Nano Research 2024年第5期17卷 3660-3666页

作者： Fuzhou Wang Jiaqi Xiang Guike Zhang Kai Chen Ke Chu school of materials science and engineering Lanzhou Jiaotong UniversityLanzhou 730070China

Electrochemical converting NO_(2)^(-)into NH_(3)(NO_(2)RR)holds an enormous prospect to attain efficient NH_(3) electrosynthesis and polluted NO_(2)^(-)***,we report single-atom Co alloyed Ru(Co_(1)Ru)as an efficient and durable NO_(2)RR *** experimental and theoretical investigations reveal that single-atom Co alloying of Ru enables the construction of Co_(1)-Ru heteronuclear active sites to synergistically promote NO_(2)^(-)activation/hydrogenation while suppressing the competitive H_(2) evolution,rendering the greatly enhanced activity and selectivity of Co_(1)Ru towards the NO_(2)***,Co_(1)Ru assembled within a flow cell exhibits an impressive NH_(3) yield rate of 2379.2μmol·h^(-1)·cm^(-2) with an NH_(3)-Faradaic efficiency of 92%at a high current density of 415.9 mA·cm^(-2),which is among the highest NO_(2)RR performances reported to date.

关键词： electrochemical converting NO_(2)-into NH3 single-atom alloys theoretical computations industrial-level current density

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Efficient nitrite-to-ammonia electroreduction over Zr-Ni frustrated Lewis acid-base pairs

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science China Chemistry 2024年第5期67卷 1707-1714页

作者： Ying Zhang Zhuohang Li Wenyu Du Kai Chen Ke Chu school of materials science and engineering Lanzhou Jiaotong UniversityLanzhou 730070China

Electrochemical NO_(2)~--to-NH_(3) conversion(NO_(2)RR) offers a green route to NH_(3) electrosynthesis, while developing efficient NO_(2)RR catalysis systems at high current densities remains a grand challenge. Herein, we report an efficient Zr-NiO catalyst with atomically dispersed Zr-dopants incorporated in NiO lattice, delivering the exceptional NO_(2)RR performance with industriallevel current density(>0.2 A cm^(-2)). In situ spectroscopic measurements and theoretical simulations reveal the construction of ZrNi frustrated Lewis acid-base pairs(FLPs) on Zr-Ni O, which can substantially increase the number of absorbed nitrite(NO_(2)~-),promote the activation and protonation of NO_(2)~- and concurrently hamper the H coverage, boosting the activity and selectivity of Zr-NiO towards the NO_(2)RR. Remarkably, Zr-NiO exhibits the exceptional performance in a flow cell with high Faradaic efficiency for NH_(3) of 94.0% and NH_(3)yield rate of 1,394.1 μmol h^(-1)cm^(-2) at an industrial-level current density of 228.2 m A cm^(-2),placing it among the best NO_(2)RR electrocatalysts for NH_(3) production.

关键词： electrochemical nitrite-to-ammonia conversion frustrated Lewis acid-base pairs(FLPs) in situ spectroscopy theoretical computations

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Resolving aging dynamics of a 3D colloidal glass

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science China(Physics,Mechanics & Astronomy) 2024年第3期67卷 110-118页

作者： XiaoJuan Wang Jun Duan Gan Ding YunZhuo Lu Xing Lu LanHong Dai MinQiang Jiang State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of SciencesBeijing 100190China school of materials science and engineering Dalian Jiaotong UniversityDalian 116028China school of engineering science University of Chinese Academy of SciencesBeijing 100049China

Physical aging is an inherent property of glassy matter, but understanding its microscopic mechanism remains a challenge particularly at the particle level. In this work, we use a confocal microscope to in-situ trace the particle trajectories in a 3D colloidal glass for 73000 s, aiming at resolving the aging dynamics. By calculating the mean square displacement of particle motions, we find that the glass aging with time can be divided into three stages: β relaxation, α relaxation and free diffusion. The system's mean square displacement at each aging state is quantitatively resolved into three contributions of particle dynamics modes: vibration within the nearest-neighbor cages, hopping between cages and cooperative rearrangement. We further calculate the particle's free volume and find that the β-to-α transition is accompanied by the temporary increase of the system-averaged free volume due to pronounced hops of particles. Nevertheless, the temporal autocorrelation of the free volume spatial distribution still obeys a monotonically stretched exponential decay with an exponent of 0.76, which is related to the sub-diffusion dynamics of cooperative rearrangements and hops mixed in α relaxation. According to the resolved vibrational displacements,we calculate the vibrational density of states of this 3D glass, and the characteristic boson peak is reproduced at low *** findings shed insight into the particle-level aging dynamics of a real glass under purely thermal activation.

关键词： colloidal glass physical aging particle dynamics free volume boson peak

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