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基于Bonding V2模型的蒜种离散元建模与参数标定
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作者 李骅 孟煜柏 +3 位作者 齐新丹 王永健 李玉青 李明阳 《农业机械学报》 北大核心 2025年第7期150-157,169,共9页
针对利用离散元法进行大蒜精准播种及收获等关键作业过程仿真分析时,蒜种内部黏结参数缺乏的问题,选取邳州白蒜为研究对象,利用EDEM软件建立了一种可破碎的蒜种离散元柔性模型,并对其黏结参数进行标定。以处理后不带皮蒜种块临界破碎载... 针对利用离散元法进行大蒜精准播种及收获等关键作业过程仿真分析时,蒜种内部黏结参数缺乏的问题,选取邳州白蒜为研究对象,利用EDEM软件建立了一种可破碎的蒜种离散元柔性模型,并对其黏结参数进行标定。以处理后不带皮蒜种块临界破碎载荷(105.5 N)及位移(4.7 mm)为参考依据,通过Plackett-Burman、最陡爬坡试验和Box-Behnken试验,对蒜种离散元模型进行显著性筛选和寻优。结果表明:最优参数中单位面积法向刚度、单位面积切向刚度、法向强度、剪切强度和黏结半径比例分别为5.115×10^(8) N/m^(3)、2.3×10^(7) N/m^(3)、1.265×10^(6) Pa、54454.594 Pa、1.716。此时,仿真不带皮蒜种块临界破碎载荷和位移分别为116.6 N、5.13 mm,与前期不带皮蒜种试验误差分别为9.5%、12.7%,与带皮蒜种试验(临界破碎载荷和位移分别为107.5 N和4.8 mm)误差分别为7.8%、7.4%,验证了模型的准确性。建立的蒜种离散元模型可为后续振动充种受力分析及姿态调整提供参考。 展开更多
关键词 蒜种 离散元模拟 参数标定 bonding V2模型
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Electric-assisted diffusion bonding of Al_(0.3)CoCrFeNi high-entropy alloys:mechanisms and properties 被引量:1
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作者 Mengchun Fu Jia Yang +3 位作者 Jinze Lyu Panpan Lin Tiesong Lin Peng He 《China Welding》 2025年第1期1-11,共11页
The excellent irradiation resistance,high strength and plasticity exhibited by high-entropy alloys(HEAs)make it candidate for engin-eering applications.Diffusion bonding of Al_(0.3)CoCrFeNi single-phase HEAs was carri... The excellent irradiation resistance,high strength and plasticity exhibited by high-entropy alloys(HEAs)make it candidate for engin-eering applications.Diffusion bonding of Al_(0.3)CoCrFeNi single-phase HEAs was carried out using electric-assisted diffusion bonding(EADB),and the effect of bonding temperature on the evolution of the interfacial microstructure and the mechanical properties was investigated.The results indicate that as the bonding temperature increases,the pores at the interface gradually decrease in size and undergo closure.The electric current significantly promotes the pore closure mechanism dominated by plastic deformation at the diffusion interface and promotes the recrystallisation behavior at the interface,and the fracture mode changes from intergranular fracture at the interface to jagged fracture along the grains spanning the weld parent material.Due to the activation effect of EADB,higher-strength diffusion bonding of high-entropy alloys can be achieved at the same temperature compared with the conventional hot-pressure diffusion bonding(HPDB)process. 展开更多
关键词 High-entropy alloys Electric-assisted diffusion bonding bonding mechanism Interfacial pore closure Shear strength
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Bonding and anti-bonding orbitals stable electron intensity difference theory
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作者 Xiaobing Lan Hao Lu +5 位作者 Xusheng Wang Qing Li Dongdong Li Jun Chen Peng Wang Guangfu Liao 《Chinese Journal of Catalysis》 2025年第9期6-9,共4页
Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemi... Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)). 展开更多
关键词 anti bonding orbitals adsorption surface chemistry ELECTROCHEMISTRY heterogeneous catalysis electron intensity bonding orbitals electrochemistryheterogeneous catalysisadsorptionetc
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Laser-induced thermo-compression bonding for Cu-Au heterogeneous nanojoining
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作者 Hui Wan Yu Shu +4 位作者 Shuo Chen Hao Cao Shengjun Zhou Sheng Liu Chengqun Gui 《International Journal of Extreme Manufacturing》 2025年第1期409-418,共10页
Surface tension-induced shrinkage of heterogeneously bonded interfaces is a key factor in limiting the performance of nanostructures.Herein,we demonstrate a laser-induced thermo-compression bonding technology to suppr... Surface tension-induced shrinkage of heterogeneously bonded interfaces is a key factor in limiting the performance of nanostructures.Herein,we demonstrate a laser-induced thermo-compression bonding technology to suppress surface tension-induced shrinkage of Cu-Au bonded interface.A focused laser beam is used to apply localized heating and scattering force to the exposed Cu nanowire.The laser-induced scattering force and the heating can be adjusted by regulating the exposure intensity.When the ratio of scattering forces to the gravity of the exposed nanowire reaches 3.6×10^(3),the molten Cu nanowire is compressed into flattened shape rather than shrinking into nanosphere by the surface tension.As a result,the Cu-Au bonding interface is broadened fourfold by the scattering force,leading to a reduction in contact resistance of approximately 56%.This noncontact thermo-compression bonding technology provides significant possibilities for the interconnect packaging and integration of nanodevices. 展开更多
关键词 thermo-compression bonding Cu-Au bonding contact interface laser scattering force
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Boosting non-oxide interfacial Co/SiO_(2)hybrid bonding by selective surface activation
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作者 Xiaoyun Qi Shicheng Zhou +2 位作者 Yan Ma Tadatomo Suga Chenxi Wang 《International Journal of Extreme Manufacturing》 2025年第3期383-396,共14页
Due to its superior nanoscale properties,cobalt(Co)is highly desirable for ultrahigh-density 3D integration into materials through metal/dielectric hybrid bonding.However,this process is very challenging through Co/Si... Due to its superior nanoscale properties,cobalt(Co)is highly desirable for ultrahigh-density 3D integration into materials through metal/dielectric hybrid bonding.However,this process is very challenging through Co/SiO_(2)hybrid bonding,as very hydrophilic SiO_(2)surfaces are needed for bonding during dehydration reactions and oxidation of the Co surfaces must be avoided.Additionally,the substantial coefficient of thermal expansion mismatch between the robust capping layers(Co and SiO_(2)layers)necessitates hybrid bonding with minimal thermal input and compression.In this study,we introduce a ternary plasma activation strategy employing an Ar/NH_(3)/H_(2)O gas mixture to facilitate Co/SiO_(2)hybrid bonding at temperatures as low as~200℃,which is markedly lower than the melting point of Co(~1500℃).Intriguingly,non-oxide metallization at the Co-Co interface can be realized without the hindrance of a bonding barrier,thereby reducing the electrical resistance by over 40%and compression force requirements.Moreover,the enhancement in the SiO_(2)surface energy through active group terminations fosters extensive interfacial hydration and strengthens the mechanical properties.This research paves the way for fine-tuning bonding surfaces using a material-selective strategy which should advance metal/dielectric hybrid bonding for future integration applications. 展开更多
关键词 hybrid bonding plasma activation low temperature surface characterization bonding interface
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Microstructure evolution and bonding mechanism of hot compression bonding joint of reduced activation ferritic/martensitic steel
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作者 Rui-jiang Chang Guo-wang Liu +3 位作者 Qian-ying Guo Ran Ding Chen-xi Liu Yong-chang Liu 《Journal of Iron and Steel Research International》 2025年第7期2027-2038,共12页
Interfacial evolution and bonding mechanism of reduced activation ferritic/martensitic(RAFM)steel were systematically investigated through a series of hot compression tests conducted at various strains(0.15-0.8),strai... Interfacial evolution and bonding mechanism of reduced activation ferritic/martensitic(RAFM)steel were systematically investigated through a series of hot compression tests conducted at various strains(0.15-0.8),strain rates(0.001-1 s^(-1)),and temperatures(950-1050℃).Interfacial microstructural analysis revealed that plastic deformation of surface asperities effectively removes interfacial voids,and the evolution of dynamic recrystallization(DRX)aids in achieving a joint characterized by homogeneously refined microstructure and adequate interfacial grain boundary(IGB)migration.Electron backscattered diffraction analysis demonstrated that the continuous dynamic recrystallization,characterized by progressive subgrain rotation,is the prevailing DRX nucleation mechanism in RAFM steel during hot compression bonding.During DRX evolution,emerging DRX grains in the interfacial region expand into adjacent areas,transforming T-type triple junction grain boundaries into equal form,and resulting in a serrated and intricate interface.Elevated temperatures and strains,coupled with reduced strain rates,augment DRX grain nucleation and IGB migration,thus enhancing RAFM joint quality with regard to the interface bonding ratio and the interface migration ratio. 展开更多
关键词 Hot compression bonding Reduced activation ferritic/martensitic steel Dynamic recrystallization Interfacial microstructure bonding mechanism
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Constructing ether-rich and carboxylate hydrogen bonding sites in protic ionic liquids for efficient and simultaneous membrane separation of H_(2)S and CO_(2) from CH_(4) 被引量:1
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作者 Ping Zhang Xingyun Ma +3 位作者 Zhuoheng Tu Xiaomin Zhang Xingbang Hu Youting Wu 《Green Energy & Environment》 2025年第3期560-572,共13页
Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-... Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-based membranes.Herein,we firstly reported the incorporation of protic ILs (PILs) having ether-rich and carboxylate sites (ECPILs) into poly(ether-block-amide)(Pebax) matrix for efficient separation H_(2)S and CO_(2)from CH_(4).Notably,the optimal permeability of H_(2)S reaches up to 4310 Barrer (40C,0.50 bar) in Pebax/ECPIL membranes,along with H_(2)S/CH_(4)and (H_(2)StCO_(2))/CH_(4)selectivity of 97.7 and 112.3,respectively.These values are increased by 1125%,160.8%and 145.9%compared to those in neat Pebax membrane.Additionally,the solubility and diffusion coefficients of the gases were measured,demonstrating that ECPIL can simultaneously strengthen the dissolution and diffusion of H_(2)S and CO_(2),thus elevating the permeability and permselectivity.By using quantum chemical calculations and FT-IR spectroscopy,the highly reversible multi-site hydrogen bonding interaction between ECPILs and H_(2)S was revealed,which is responsible for the fast permeation of H_(2)S and good selectivity.Furthermore,H_(2)S/CO_(2)/CH_(4)(3/3/94 mol/mol) ternary mixed gas can be efficiently and stably separated by Pebax/ECPIL membrane for at least 100 h.Overall,this work not only illustrates that PILs with ether-rich and carboxylate hydrogen bonding sites are outstanding materials for simultaneous removal of H_(2)S and CO_(2),but may also provide a novel insight into the design of membrane materials for natural gas upgrading. 展开更多
关键词 H_(2)S Protic ionic liquid Multi-site hydrogen bonding interaction Membrane separation Natural gas purification
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Experimental and Numerical Study of Bonding Capacity of Interface between Ultra-High Performance Concrete and Steel Tube 被引量:1
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作者 Ruikun Xu Jiu Li +1 位作者 Wenjie Li Wei Zhang 《Structural Durability & Health Monitoring》 2025年第2期285-305,共21页
This study investigates the bond performance at the interfacial region shared by Ultra-High Performance Concrete(UHPC)and steel tubes through push-out tests.This study examines how changes in steel fiber volumetric ra... This study investigates the bond performance at the interfacial region shared by Ultra-High Performance Concrete(UHPC)and steel tubes through push-out tests.This study examines how changes in steel fiber volumetric ratio and thickness of steel tube influence the bond strength characteristics.The results show that as the enhancement of the steel tube wall thickness,the ultimate bond strength at the interface improves significantly,whereas the initial bond strength exhibits only slight variations.The influence of steel fiber volumetric ratio presents a nonlinear trend,with initial bond strength decreasing at low fiber content and increasing significantly as fiber content rises.Additionally,finite element(FE)simulations were applied to replicate the experimental conditions,and the outcomes showed strong correlation with the experimental data,confirming the exactitude of the FE model in predicting the bond behavior at the UHPC-Steel interface.These findings provide valuable insights for optimizing the design of UHPC-Filled steel tubes in high-performance structure. 展开更多
关键词 Ultra-high performance concrete filled steel tube(UHPCFST) push-out test bonding capacity cohesive zone model
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Enhancing bonding reliability of solid propellant grain based on FFTA and PSO-GRNN
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作者 Han Lu Bin Zhang +3 位作者 Wei Xu Zhigang Xu Xinlin Bai Zheng Hu 《Defence Technology(防务技术)》 2025年第9期184-200,共17页
Bonding quality at the interface of solid propellant grains is crucial for the reliability and safety of solid rocket motors.Although bonding reliability is influenced by numerous factors,the lack of quantitative char... Bonding quality at the interface of solid propellant grains is crucial for the reliability and safety of solid rocket motors.Although bonding reliability is influenced by numerous factors,the lack of quantitative characterization of interface debonding mechanisms and the challenge of identifying key factors have made precise control of process variables difficult,resulting in unpredictable failure risks.This paper presents an improved fuzzy failure probability evaluation method that combines fuzzy fault tree analysis with expert knowledge,transforming process data into fuzzy failure probability to accurately assess debonding probabilities.The predictive model is constructed through a general regression neural network and optimized using the particle swarm optimization algorithm.Sensitivity analysis is conducted to identify key decision variables,including normal force,grain rotation speed,and adhesive weight,which are verified experimentally.Compared with classical models,the maximum error margin of the constructed reliability prediction model is only 0.02%,and it has high stability.The experimental results indicate that the main factors affecting debonding are processing roughness and coating uniformity.Controlling the key decision variable as the median resulted in a maximum increase of 200.7%in bonding strength.The feasibility of the improved method has been verified,confirming that identifying key decision variables has the ability to improve bonding reliability.The proposed method simplifies the evaluation of propellant interface bonding reliability under complex conditions by quantifying the relationship between process parameters and failure risk,enabling targeted management of key decision variables. 展开更多
关键词 Solid propellant bonding reliability Prediction model FFTA PSO-GRNN
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Evolution mechanism of interconnect interface and shear properties of 64.8Sn35.2Pb microbump during flip chip bonding
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作者 SHEN Yu-lu LUO Jiao +2 位作者 XU Keng-feng WU Dao-wei ZHANG Ning 《Journal of Central South University》 2025年第4期1284-1298,共15页
Effect of flip chip bonding parameters on microstructure at the interconnect interface and shear properties of 64.8Sn35.2Pb microbumps were investigated in this work.Results show that the main intermetallic compound(I... Effect of flip chip bonding parameters on microstructure at the interconnect interface and shear properties of 64.8Sn35.2Pb microbumps were investigated in this work.Results show that the main intermetallic compound(IMC)at the interconnect interface is(Ni,Cu)_(3)Sn_(4)phase,and meanwhile a small amount of(Cu,Ni)_(6)Sn_(5)phase with a size of 50−100 nm is formed around(Ni,Cu)_(3)Sn_(4)phase.The orientation relationship of[-1-56](Ni,Cu)_(3)Sn_(4)//[152](Cu,Ni)_(6)Sn_(5)and(601)(Ni,Cu)_(3)Sn_(4)//(-201)(Cu,Ni)_(6)Sn_(5)is found between these two phases,and the atomic matching at the interface of the two phases is low.The highest shear force of 77.3 gf is achieved in the 64.8Sn35.2Pb microbump at the peak temperature of 250℃and parameter V1 because dense IMCs and no cracks form at the interconnect interface.Two typical fracture modes of microbumps are determined as solder fracture and mixed fracture.The high thermal stress presenting in the thick IMCs layer induces crack initiation,and cracks propagate along theα/βphase boundaries in the Sn-Pb solder under shear force,leading to a mixed fracture mode in the microbumps. 展开更多
关键词 flip chip bonding microbump SN-PB intermetallic compound orientation relationship shear properties
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Hydrogen-Bonding-Crosslinked Polyzwitterionic Hydrogelswith Extreme Stretchability, Ultralow Hysteresis, Self-adhesion,and Antifreezing Performance as Flexible Self-powered ElectronicDevices
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作者 Siyu Bao Hongying Wang +5 位作者 Baocheng Liu Chenhao Huang Jingguo Deng Wenjie Ren Yongmao Li Jianhai Yang 《Transactions of Tianjin University》 2025年第1期15-28,共14页
Flexible strain sensors have received tremendous attention because of their potential applications as wearable sensing devices.However, the integration of key functions into a single sensor, such as high stretchabilit... Flexible strain sensors have received tremendous attention because of their potential applications as wearable sensing devices.However, the integration of key functions into a single sensor, such as high stretchability, low hysteresis, self-adhesion, andexcellent antifreezing performance, remains an unmet challenge. In this respect, zwitterionic hydrogels have emerged asideal material candidates for breaking through the above dilemma. The mechanical properties of most reported zwitterionichydrogels, however, are relatively poor, significantly restricting their use under load-bearing conditions. Traditional improve-ment approaches often involve complex preparation processes, making large-scale production challenging. Additionally,zwitterionic hydrogels prepared with chemical crosslinkers are typically fragile and prone to irreversible deformation underlarge strains, resulting in the slow recovery of structure and function. To fundamentally enhance the mechanical properties ofpure zwitterionic hydrogels, the most effective approach is the regulation of the chemical structure of zwitterionic monomersthrough a targeted design strategy. This study employed a novel zwitterionic monomer carboxybetaine urethane acrylate(CBUTA), which contained one urethane group and one carboxybetaine group on its side chain. Through the direct polym-erization of ultrahigh concentration monomer solutions without adding any chemical crosslinker, we successfully developedpure zwitterionic supramolecular hydrogels with significantly enhanced mechanical properties, self-adhesive behavior, andantifreezing performance. Most importantly, the resultant zwitterionic hydrogels exhibited high tensile strength and tough-ness and displayed ultralow hysteresis under strain conditions up to 1100%. This outstanding performance was attributedto the unique liquid–liquid phase separation phenomenon induced by the ultrahigh concentration of CBUTA monomers inan aqueous solution, as well as the enhanced polymer chain entanglement and the strong hydrogen bonds between urethanegroups on the side chains. The potential application of hydrogels in strain sensors and high-performance triboelectric nano-generators was further explored. Overall, this work provides a promising strategy for developing pure zwitterionic hydrogelsfor flexible strain sensors and self-powered electronic devices. 展开更多
关键词 ZWITTERIONIC Hydrogen bonding Mechanical enhancement Strain sensor Triboelectric nanogenerator
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Constructing quasi-vertical epoxy-pins at bonding interface to improve bonding strength of aluminum alloy and carbon fiber reinforced plastics
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作者 Jinheng ZHANG Fei CHENG +10 位作者 Shihao ZUO Wenyi HUANG Yi JI Guangming YANG Jiaxin HE Sidra ASHFAQ Gang TAO Boris FEDULOV Alexey FEDORENKO Hao LIU Xiaozhi HU 《Chinese Journal of Aeronautics》 2025年第9期505-519,共15页
This study focused on the various surface treatments of grinding,Na OH etching,HCl pickling,micro-arc oxidation and anodic oxidation to strengthen adhesive bonding joint of Aluminum(Al)substrate and Carbon Fiber Reinf... This study focused on the various surface treatments of grinding,Na OH etching,HCl pickling,micro-arc oxidation and anodic oxidation to strengthen adhesive bonding joint of Aluminum(Al)substrate and Carbon Fiber Reinforced Plastics(CFRP).Different surface conditions were created by these treatments and simple Resin Pre-Coating(RPC)technique was further used to reduce the potential void defects at the root of those micro-cavities.Carbon Nanotubes(CNTs)were guided into the etched micro-cavities to construct quasi-Z-directional fiber bridging and form the“CNT-reinforced epoxy-pins”.The surface performance testing results imply that anodic oxidation of Al substrate created relatively even and continuous channels with higher hardness and better wettability among these treatments,which could provide quasi-vertical spaces for containing epoxy adhesive or CNTs.The single lap shear test results show combined treatments of anodic oxidation and upgraded RPC with CNTs technique on Al substrate yielded the highest bonding strength of 21.8 MPa(up to 243.3% greater than base strength).The constructed through-the-thickness“epoxy-pins”or“CNT-reinforced epoxy-pins”contributed to failure modes changing from complete debonding failure of Al substrate to peeled-off shallow fiber or delamination failure of CFRP panel.The combined treatments could be utilized to manufacture high-performance Al-CFRP composites for aviation industry application. 展开更多
关键词 bonding strength improvement Epoxy-pins Resin pre-coating Surface treatment Through-the-thickness
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TA15/TaZrNb multi-element alloy prepared via diffusion bonding:Tensile-strength model and performance of a representative volume element embedded with a sphere
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作者 Wei Chen Fenglei Huang +4 位作者 Chuanting Wang Ruijun Fan Pengjie Zhang Lida Che Aiguo Pi 《Defence Technology(防务技术)》 2025年第8期36-51,共16页
In this study, to meet the development and application requirements for high-strength and hightoughness energetic structural materials, a representative volume element of a TA15 matrix embedded with a TaZrNb sphere wa... In this study, to meet the development and application requirements for high-strength and hightoughness energetic structural materials, a representative volume element of a TA15 matrix embedded with a TaZrNb sphere was designed and fabricated via diffusion bonding. The mechanisms of the microstructural evolution of the TaZrNb/TA15 interface were investigated via SEM, EBSD, EDS, and XRD.Interface mechanical property tests and in-situ tensile tests were conducted on the sphere-containing structure, and an equivalent tensile-strength model was established for the structure. The results revealed that the TA15 titanium alloy and joint had high density and no pores or cracks. The thickness of the planar joint was approximately 50-60 μm. The average tensile and shear strengths were 767 MPa and 608 MPa, respectively. The thickness of the spherical joint was approximately 60 μm. The Zr and Nb elements in the joint diffused uniformly and formed strong bonds with Ti without forming intermetallic compounds. The interface exhibited submicron grain refinement and a concave-convex interlocking structure. The tensile fracture surface primarily exhibited intergranular fracture combined with some transgranular fracture, which constituted a quasi-brittle fracture mode. The shear fracture surface exhibited brittle fracture with regular arrangements of furrows. Internal fracture occurred along the spherical interface, as revealed by advanced in-situ X-ray microcomputed tomography. The experimental results agreed well with the theoretical predictions, indicating that the high-strength interface contributes to the overall strength and toughness of the sphere-containing structure. 展开更多
关键词 Diffusion bonding Multi-element alloy Joint microstructure In-situ mechanical test X-ray mCT Sphere-containing structure
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First-principles investigation of adhesion strength and interfacial bonding in Mg/X(X=Ti,Zr,Hf,V,Nd,Cr,Mo,Mn,and Fe)interface
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作者 Longke Bao Zhifu Yao +5 位作者 Yuhui Zhang Cuiping Wang Kaihong Zheng Rongpei Shi Xingjun Liu Fusheng Pan 《Journal of Magnesium and Alloys》 2025年第1期83-89,共7页
Magnesium alloys have gained extensive applications across various industries,including aerospace,transportation,and civil construction,owing to their excellent combinations of high specific strength and stiffness[1].... Magnesium alloys have gained extensive applications across various industries,including aerospace,transportation,and civil construction,owing to their excellent combinations of high specific strength and stiffness[1].However,their lim-ited strength due to the lack of effective strengthening phases has hindered their broader industrial applications[2].Never-theless,it has been challenging to achieve significant strength-ening due to the restricted solubility of alloying elements in magnesium[3].Thus,more and more efforts have been made to explore the concept of secondary phase-reinforced magne-sium alloys[2,4,5],where the secondary phase acts as re-inforcing agents within the magnesium matrix,resembling a composite material. 展开更多
关键词 adhesion strength interfacial bonding aluminum alloys industrial applications SOLUBILITY strengthening phases alloying elements Mg X interfaces
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Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material
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作者 Da Wan Shuwei Tang +4 位作者 Shulin Bai Xiaodong Li Peng Ai Wanrong Guo Tuo Zheng 《Journal of Energy Chemistry》 2025年第1期259-272,共14页
Layered rare-earth metal oxides,harnessing the dual properties of oxides and two-dimensional layered materials,exhibit remarkable thermal stability and quantum confinement effects.Therefore,this work adopts the first-... Layered rare-earth metal oxides,harnessing the dual properties of oxides and two-dimensional layered materials,exhibit remarkable thermal stability and quantum confinement effects.Therefore,this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound.The coexistence of weak interlayer van der Waals interactions,robust intralayer ionic bonding,and partial covalent bonding leads to remarkable bonding heterogeneity,which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction.The weakened chemical bonds induced by the antibonding states,together with the rattling-like behavior of the Zn atom,culminate in the profound anharmonicity in the layered NdZnSbO compound.The weakening bond and heavy element contribute to the softness of phonon modes,which significantly diminishes the phonon group velocity.The redistribution-dominated four-phonon scattering process spans a large optical gap,which effectively reduces the lattice thermal conductivity.The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06)functional in combination with spin–orbit coupling(SOC)effect.The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy,thus amplifying the power factor.Consequently,an optimal figure-of-merit(ZT)of 3.40 at 900 K is achieved for the n-type NdZnSbO compound.The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance. 展开更多
关键词 Heteroanionic materials Multi-valley characteristics Four-phonon scattering bonding heterogeneity Rattling-like behavior
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Hydrogen bonding induced ultra-highly thermal stability of azo dyes for color films
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作者 Shi Li Wenshuai Zhao +4 位作者 Yong Qi Wenbin Niu Wei Ma Bingtao Tang Shufen Zhang 《Chinese Chemical Letters》 2025年第9期407-412,共6页
Dye-based color films are increasingly considered as viable alternatives to pigment-based color films in complementary metal-oxide-semiconductor(CMOS) image sensors.Herein,a series of azo dyes utilizing 5-methyl-2-phe... Dye-based color films are increasingly considered as viable alternatives to pigment-based color films in complementary metal-oxide-semiconductor(CMOS) image sensors.Herein,a series of azo dyes utilizing 5-methyl-2-phenyl-4-(2-phenylhydrazono)-2,4-dihydro-3H-pyrazol-3-one as the coupling component and aromatic amines with various electron-withdrawing groups(NO_(2),CN,Br) as diazo components were designed and synthesized.The presence of intermolecular hydrogen bonding between the hydrogen atom on the N-H group and the oxygen atom of the C=O group of the hydrazo structure facilitates the formation of a stable six-membered ring.Additionally,the electron-withdrawing groups in the diazo component further stabilize this hydrogen-bonded structure.As a result,these azo dyes(P-2,P-3,P-4,P-5)exhibit not only excellent light stability but also ultra-highly thermal stability(T_(d)> 260℃).Therein,the synthesized dyes P-2 and P-3 with great bright yellow color(~400 nm),proper solubility(~6.00g/100 g)were selected to make for color films.And their dye-based color films displayed ultra-highly thermal and light stability(color difference ΔE<3).Notably,the increased planarity of the molecular structure by hydrogen bonding for the novel dyes ensures a balance between high transmittance(>90%) in the 550-780 nm wavelength range and the solvent resistance of the dye-based color films.This work contributes to the advancement of next-generation smart CMOS devices and offers valuable insights into the design of azo dyes for applications in the field of organic electronics. 展开更多
关键词 Visual identification Azo dyes Color films Thermal stability Hydrogen bonding
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A sterically-hindered organic molecule to modulate hydrogen bonding and the electrical double layer for highly reversible zinc anodes
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作者 Rongsheng Guo Yongfeng Huang +5 位作者 Chang Shu Rui Yao Yifu Gao Wenbao Liu Zhichun Si Feiyu Kang 《Journal of Energy Chemistry》 2025年第6期280-291,I0007,共13页
The practical application of emerging rechargeable aqueous zinc(Zn)batteries is challenged by the poor reversibility and cycling stability of Zn anodes,primarily due to parasitic side reactions.While numerous strategi... The practical application of emerging rechargeable aqueous zinc(Zn)batteries is challenged by the poor reversibility and cycling stability of Zn anodes,primarily due to parasitic side reactions.While numerous strategies have been proposed,balancing the suppression of side reactions with the maintenance of fast Zn plating/stripping kinetics remains a significant challenge.In this study,sucrose,a sterically-hindered organic molecule with abundant hydroxyl groups,is employed to suppress the side reactions and maintain the moderate kinetics of Zn plating/stripping by modulating the hydrogen bond network without altering the Zn^(2+)solvation structure.Its steric hindrance effect further impedes the lateral diffusion of Zn atoms on the electrode surface within the electric double layer,effectively mitigating dendrite growth and stabilizing the electrodeposition process.Consequently,the formulated Suc/ZnSO_(4)electrolyte achieves a remarkably Coulombic efficiency of 99.90% over 2600 cycles at 3 mA cm^(-2)for 1 mAh cm^(-2)in Zn‖Cu cells.The enhanced Zn anode reversibility leads to excellent cycling stability in Zn‖LiFePO_(4)cells and Zn‖β-MnO_(2)cells.This study underscores the potential of sterically-hindered organic molecule strategies to enhance Zn anode stability while maintaining favorable Zn deposition/stripping dynamics in aqueous Zn batteries. 展开更多
关键词 Organic molecule Steric effect Interfacial dynamics Hydrogen bonding Electrical double layer Zinc anodes
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Exploring internal interface bonding and multi-metal synergy for boosting photoelectrochemical water splitting
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作者 Qi Sui Hui Li +7 位作者 Chen Tao Ran Li Yujie Gao Tingting Yang Hongshuai Zhenga Lixin Xia Fei Li Yi Jiang 《Chinese Journal of Catalysis》 2025年第8期115-124,共10页
In situ growth of co-catalysts on BiVO_(4)(BVO)to enhance photoelectrochemical(PEC)water splitting performance has been extensively reported.However,the understanding of the synergistic effects among various elements,... In situ growth of co-catalysts on BiVO_(4)(BVO)to enhance photoelectrochemical(PEC)water splitting performance has been extensively reported.However,the understanding of the synergistic effects among various elements,especially at the interface between the semiconductor and cocatalyst,has received insufficient attention.In this study,we report a Co,Ni and Mn trimetallic fluoride-modified BVO photoanode featuring a unique interfacial chemical bond(V-F).Under AM 1.5 G illumination,an exciting photocurrent density of 6.05 mA cm^(-2)was achieved at 1.23 V vs.RHE by the integrated BVO/CoNi_(0.18)Mn_(0.12)(OH)_(x)F photoanode and over 98%of the initial photocurrent was maintained after 10 h of photoelectrolysis.Control experiments and theoretical calculations demonstrate that the V-F interfacial bond stabilizes the Co^(2+)active sites.It serves as a transmission gear,interlinking the migration of interfacial charge and the regeneration of cocatalyst,endowing the photoanode with significant activity and stability.Furthermore,we have systematically elucidated the role of the individual Co,Ni,and Mn components in the synergistic cocatalyst layer.The interfacial modification provides novel insights into developing advanced photoanodes towards PEC water splitting. 展开更多
关键词 Bismuth vanadate Photoelectrochemical water oxidation PHOTOANODE Interface bonding Multi-metal synergy
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Bifunctional organocatalyst-catalyzed dynamic kinetic resolution of hemiketals for synthesis of chiral ketals via hydrogen bonding control
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作者 Meng Shan Yongmei Yu +4 位作者 Mengli Sun Shuping Yang Mengqi Wang Bo Zhu Junbiao Chang 《Chinese Chemical Letters》 2025年第1期248-252,共5页
Herein,we report the dynamic kinetic resolution asymmetric acylation ofγ-hydroxy-γ-perfluoroalkyl butenolides/phthalides catalyzed by amino acid-derived bifunctional organocatalysts,and a series of ketals were obtai... Herein,we report the dynamic kinetic resolution asymmetric acylation ofγ-hydroxy-γ-perfluoroalkyl butenolides/phthalides catalyzed by amino acid-derived bifunctional organocatalysts,and a series of ketals were obtained in high yields(up to 95%)and excellent enantioselectivities(up to 99%).In terms of synthetic utility,the reaction can be performed on a gram scale,and the product can be converted into potential biological nucleoside analog. 展开更多
关键词 Bifunctional organocatalyst Dynamic kinetic resolution Hemiketal Chiral ketals Hydrogen bonding
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Process and Bonding Performance of ZrO_(2) Thermal Barrier Coatings with Dense Vertical Cracks by High Energy Plasma Spray
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作者 YANG Qinqian NIU Yunsong +2 位作者 HUANG Di BAO Zebin ZHU Shenglong 《China's Refractories》 2025年第3期24-29,共6页
In order to prolong the service life of ZrO_(2) thermal barrier coatings,HS188 alloy was used as the substrate,and NiCrAlY powder(base layer,d_(50)=106μm)and yttria stabilized zirconia(YSZ,d_(50)=50μm)were employed ... In order to prolong the service life of ZrO_(2) thermal barrier coatings,HS188 alloy was used as the substrate,and NiCrAlY powder(base layer,d_(50)=106μm)and yttria stabilized zirconia(YSZ,d_(50)=50μm)were employed as the sprayed feeder to prepare NiCrALY+YSZ thermal barrier coatings using high-energy plasma spraying equipment with a progressive exploration method.The microstructure of the coatings was controlled by adjusting the stand-off distance(85,95,105 and 115 mm)and air-cooling manner(rear air cooling,rear air cooling+gun cooling,front air cooling,and front air cooling+gun cooling).The bonding strength of the coatings was evaluated by the drawing method.The results indicate that under the conditions of long stand-off distance and low cooling rate,it is difficult for the coatings to form a vertical crack structure due to the low instantaneous heating temperature and insufficient quenching on the sample surface.However,when the instantaneous heating temperature reaches the critical value and the air cooling rate is excessive,un-melted spray particles exist.When the stand-off distance is 85 mm and the cooling method is front air cooling,a thermal barrier ceramic coating with vertical crack morphology was obtained on HS188 alloy.Simultaneously,it has a moderate density of vertical cracks,the highest bonding strength and the best toughness. 展开更多
关键词 high-energy plasma spraying thermal barrier coating stand-off distance air-cooling bonding strength
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