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Hybrid bonding of GaAs and Si wafers at low temperature by Ar plasma activation
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作者 Rui Huang Zhiyong Wang +3 位作者 Kai Wu Hao Xu Qing Wang Yecai Guo 《Journal of Semiconductors》 EI CAS CSCD 2024年第4期69-75,共7页
High-quality bonding of 4-inch GaAs and Si is achieved using plasma-activated bonding technology.The influence of Ar plasma activation on surface morphology is discussed.When the annealing temperature is 300℃,the bon... High-quality bonding of 4-inch GaAs and Si is achieved using plasma-activated bonding technology.The influence of Ar plasma activation on surface morphology is discussed.When the annealing temperature is 300℃,the bonding strength reaches a maximum of 6.2 MPa.In addition,a thermal stress model for GaAs/Si wafers is established based on finite element analysis to obtain the distribution of equivalent stress and deformation variables at different temperatures.The shape varia-tion of the wafer is directly proportional to the annealing temperature.At an annealing temperature of 400℃,the maximum protrusion of 4 inches GaAs/Si wafers is 3.6 mm.The interface of GaAs/Si wafers is observed to be dense and defect-free using a transmission electron microscope.The characterization of interface elements by X-ray energy dispersion spectroscopy indi-cates that the elements at the interface undergo mutual diffusion,which is beneficial for improving the bonding strength of the interface.There is an amorphous transition layer with a thickness of about 5 nm at the bonding interface.The preparation of Si-based GaAs heterojunctions can enrich the types of materials required for the development of integrated circuits,improve the performance of materials and devices,and promote the development of microelectronics technology. 展开更多
关键词 plasma-activated bonding bonding strength thermal stress model mutual diffusion
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Effect of neutral polymeric bonding agent on tensile mechanical properties and damage evolution of NEPE propellant
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作者 M.Wubuliaisan Yanqing Wu +3 位作者 Xiao Hou Kun Yang Hongzheng Duan Xinmei Yin 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第2期357-367,共11页
Introducing Neutral Polymeric bonding agents(NPBA) into the Nitrate Ester Plasticized Polyether(NEPE)propellant could improve the adhesion between filler/matrix interface, thereby contributing to the development of ne... Introducing Neutral Polymeric bonding agents(NPBA) into the Nitrate Ester Plasticized Polyether(NEPE)propellant could improve the adhesion between filler/matrix interface, thereby contributing to the development of new generations of the NEPE propellant with better mechanical properties. Therefore,understanding the effects of NPBA on the deformation and damage evolution of the NEPE propellant is fundamental to material design and applications. This paper studies the uniaxial tensile and stress relaxation responses of the NEPE propellant with different amounts of NPBA. The damage evolution in terms of interface debonding is further investigated using a cohesive-zone model(CZM). Experimental results show that the initial modulus and strength of the NEPE propellant increase with the increasing amount of NPBA while the elongation decreases. Meanwhile, the relaxation rate slows down and a higher long-term equilibrium modulus is reached. Experimental and numerical analyses indicate that interface debonding and crack propagation along filler-matrix interface are the dominant damage mechanism for the samples with a low amount of NPBA, while damage localization and crack advancement through the matrix are predominant for the ones with a high amount of NPBA. Finally, crosslinking density tests and simulation results also show that the effect of the bonding agent is interfacial rather than due to the overall crosslinking density change of the binder. 展开更多
关键词 Solid propellant bonding agent Mechanical properties Damage evolution Cohesive-zone model Interface debonding
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Bond-Slip Behavior of Steel Bar and Recycled Steel Fibre-Reinforced Concrete
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作者 Ismail Shah Jing Li +4 位作者 Nauman Khan Hamad R.Almujibah Muhammad Mudassar Rehman Ali Raza Yun Peng 《Journal of Renewable Materials》 EI CAS 2024年第1期167-186,共20页
Recycled steel fiber reinforced concrete is an innovative construction material that offers exceptional mechanical properties and durability.It is considered a sustainable material due to its low carbon footprint and ... Recycled steel fiber reinforced concrete is an innovative construction material that offers exceptional mechanical properties and durability.It is considered a sustainable material due to its low carbon footprint and environmental friendly characteristics.This study examines the key influencing factors that affect the behavior of this material,such as the steel fiber volume ratio,recycled aggregate replacement rate,concrete strength grade,anchorage length,and stirrup constraint.The study investigates the bond failure morphology,bond-slip,and bond strength constitutive relationship of steel fiber recycled concrete.The results show that the addition of steel fibers at 0.5%,1.0%,and 1.5%volume ratios can improve the ultimate bond strength of pull-out specimens by 9.05%,6.94%,and 5.52%,respectively.The replacement rate of recycled aggregate has minimal effect on the typical bond strength of pull-out specimens.However,the ultimate bond strengths of pull-out specimens with concrete strength grades C45 and C60 have improved compared to those with C30 grade.The specimens with longer anchorage lengths exhibit lower ultimate bond strength,with a reduction of 33.19%and 46.37%for anchorage lengths of 5D and 7D,respectively,compared to those without stirrups.Stirrup restraint of 1φ8 and 2φ8 improves the ultimate bond strength by 5.29%and 6.90%,respectively.Steel fibers have a significant effect on the behavior of concrete after it cracks,especially during the stable expansion stage,crack instability expansion stage,and failure stage. 展开更多
关键词 Recycled coarse aggregates(RCA) steel fiber bonding performance bond-SLIP environmental challenges
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Accelerating Oxygen Electrocatalysis Kinetics on Metal-Organic Frameworks via Bond Length Optimization 被引量:1
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作者 Fan He Yingnan Liu +10 位作者 Xiaoxuan Yang Yaqi Chen Cheng‑Chieh Yang Chung‑Li Dong Qinggang He Bin Yang Zhongjian Li Yongbo Kuang Lecheng Lei Liming Dai Yang Hou 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第9期279-290,共12页
Metal-organic frameworks(MOFs)have been developed as an ideal platform for exploration of the relationship between intrinsic structure and catalytic activity,but the limited catalytic activity and stability has hamper... Metal-organic frameworks(MOFs)have been developed as an ideal platform for exploration of the relationship between intrinsic structure and catalytic activity,but the limited catalytic activity and stability has hampered their practical use in water splitting.Herein,we develop a bond length adjustment strategy for optimizing naphthalene-based MOFs that synthesized by acid etching Co-naphthalenedicarboxylic acid-based MOFs(donated as AE-CoNDA)to serve as efficient catalyst for water splitting.AE-CoNDA exhibits a low overpotential of 260 mV to reach 10 mA cm^(−2)and a small Tafel slope of 62 mV dec^(−1)with excellent stability over 100 h.After integrated AE-CoNDA onto BiVO_(4),photocurrent density of 4.3 mA cm^(−2)is achieved at 1.23 V.Experimental investigations demonstrate that the stretched Co-O bond length was found to optimize the orbitals hybridization of Co 3d and O 2p,which accounts for the fast kinetics and high activity.Theoretical calculations reveal that the stretched Co-O bond length strengthens the adsorption of oxygen-contained intermediates at the Co active sites for highly efficient water splitting. 展开更多
关键词 Metal-organic frameworks bond length adjustment Spin state transition Orbitals hybridization Water splitting
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基于JK落重和Bond球磨功指数试验的铁矿石碎磨特性及流程模拟计算
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作者 杨晓峰 孙昊 +2 位作者 傅国辉 余建文 谷安成 《有色金属(选矿部分)》 CAS 2024年第5期172-179,共8页
弓长岭选厂目前采用传统的“三段一闭路破碎”、“阶段磨矿”的碎磨工艺流程,存在生产工艺流程长且磨矿能耗偏高等问题。因此拟在粗碎后增加(半)自磨作业,降低进入球磨物料的粒度,以期降低磨矿作业能耗,优化碎磨作业工艺流程,提高选厂... 弓长岭选厂目前采用传统的“三段一闭路破碎”、“阶段磨矿”的碎磨工艺流程,存在生产工艺流程长且磨矿能耗偏高等问题。因此拟在粗碎后增加(半)自磨作业,降低进入球磨物料的粒度,以期降低磨矿作业能耗,优化碎磨作业工艺流程,提高选厂的作业生产能力,降低磨矿作业生产成本。试验原料铁矿石品位为28.27%,其中铁主要以磁铁矿的形式存在,脉石主要为SiO2,含量为48.61%。以鞍钢弓长岭选厂作业流程中粗碎产品进行JK落重试验,细碎产品进行Bond球磨功指数试验,对矿石的碎磨特性参数进行深入研究。研究结果表明,矿石的冲击破碎模型t10=70.099×(1-exp-0.647×Ecs),其中A为冲击粉碎参数,其值为70.099,b为0.647,A×b为45.354,矿石的抗冲击破碎能力属于中等级别,且随着颗粒粒度的减小而增大;矿石磨蚀系数ta为0.361,抗磨蚀能力为中等级别;矿石的相对密度为3.26。Bond球磨功指数试验获得的功指数Wib=11.7665kWh/t,属于中硬矿石,可以采用(半)自磨工艺。半自磨机设计给矿粒度为F80=160mm,最终产品粒度P80=86μm,JKsimMet软件模拟结果表明,需要2台Φ8.8m×5.1m半自磨机(装机功率7000kW)可满足生产要求。该试验结果对后续选厂工艺流程的优化具有重要意义。 展开更多
关键词 bond功指数 JK落重试验 碎磨参数 冲击 磨蚀
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Transient liquid phase bonding of DD5 superalloy using a designed interlayer: microstructure and mechanical properties 被引量:1
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作者 周昌杰 范骁乐 +3 位作者 朱立华 陈闯 贺建超 计红军 《China Welding》 CAS 2024年第2期1-10,共10页
Nickel based single crystal superalloy is currently widely used as the material for turbine blades in aerospace engines.However,metallurgical defects during the manufacturing process and damage during harsh environmen... Nickel based single crystal superalloy is currently widely used as the material for turbine blades in aerospace engines.However,metallurgical defects during the manufacturing process and damage during harsh environmental service are inevitable challenges for turbine blades.Therefore,bonding techniques play a very important role in the manufacturing and repair of turbine blades.The transient liquid phase(TLP)bonding of DD5 Ni-based single crystal superalloy was performed using the designed H1 interlayer.A new third-generation Ni-based superalloy T1 powder was mixed with H1 powder as another interlayer to improve the mechanical properties of the bonded joints.The res-ults show that,such a designed H1 interlayer is beneficial to the improvement of shear strength of DD5 alloy bonded joints by adjusting the bonding temperature and the prolongation of holding time.The maximum shear strength at room temperature of the joint with H1 interlayer reached 681 MPa when bonded at 1260℃for 3 h.The addition of T1 powder can effectively reduce holding time or relatively lower bond-ing temperature,while maintaining relatively high shear strength.When 1 wt.%T1 powder was mixed into H1 interlayer,the maximum room temperature shear strength of the joint bonded at 1260℃reached 641 MPa,which could be obtained for only 1 h.Considering the bonding temperature and the efficiency,the acceptable process parameter of H1+5 wt.%T1 interlayer was 1240℃/2 h,and the room tem-perature shear strength reached 613 MPa. 展开更多
关键词 Ni-based superalloy powder transient liquid phase bonded joint shear strength
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Optimizing extractants selection for efficient separation of phenols and nitrogen-containing heteroaromatics using hydrogen bond interaction strategies
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作者 Pengzhi Bei Rui Zhang +2 位作者 Jie Feng Antony Rajendran Wenying Li 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第4期43-52,共10页
Focusing on the use of imidazolium ionic liquids and quaternary ammonium salts-based deep eutectic solvents for the separation of phenols and nitrogen-containing heteroaromatics,the role of heteroaromatics as specific... Focusing on the use of imidazolium ionic liquids and quaternary ammonium salts-based deep eutectic solvents for the separation of phenols and nitrogen-containing heteroaromatics,the role of heteroaromatics as specific sites for hydrogen bond-based separation has been investigated.These environmentally friendly solvents are known for their ability to form hydrogen bonds with heteroatoms,a key aspect in separation processes.We quantified the hydrogen bond interaction energy to reach the threshold energy for efficient O-and N-heteroaromatics separation.This article provides an in-depth study of the structural nuances of different hydrogen bonding sites and their affinity properties while conducting a comparative evaluation of the separation efficiency of ionic liquids and deep eutectic solvents from a thermodynamic perspective.Results showed that phenols with dual hydrogen bonding recognition sites were easier to separate than nitrogen-containing heteroaromatics.Imidazolium ionic liquids were more suitable for the extraction of nonbasic nitrogen-containing heteroaromatics,and quaternary ammonium salts-based deep eutectic solvents are more effective for phenols and basic nitrogen-containing heteroaromatics,which was confirmed by Fourier transform infrared spectroscopy and empirical tests.Therefore,this study provides a theoretical basis for the strategy design and selection of extractants for the efficient separation of O-and N-containing aromatic compounds. 展开更多
关键词 Deep eutectic solvents Hydrogen bond Ionic liquids SEPARATION Solvents Structural characteristics
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Configuring single-layer MXene nanosheet onto natural wood fiber via C-Ti-C covalent bonds for high-stability Li-S batteries
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作者 Yangyang Chen Yu Liao +5 位作者 Ying Wu Lei Li Zhen Zhang Sha Luo Yiqiang Wu Yan Qing 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第8期701-711,I0016,共12页
Lithium-sulfur batteries(LSBs)are considered promising candidates for next-generation battery technologies owing to their outstanding theoretical energy density and cost-effectiveness.However,the low conductivity and ... Lithium-sulfur batteries(LSBs)are considered promising candidates for next-generation battery technologies owing to their outstanding theoretical energy density and cost-effectiveness.However,the low conductivity and polysulfide shuttling effect of S cathodes severely hamper the practical performance of LSBs.Herein,in situ-generated single layer MXene nanosheet/hierarchical porous carbonized wood fiber(MX/PCWF)composites are prepared via a nonhazardous eutectic activation strategy coupled with pyrolysis-induced gas diffusion.The unique architecture,wherein single layer MXene nanosheets are constructed on carbonized wood fiber walls,ensures rapid polysulfide conversion and continuous electron transfer for redox reactions.The C-Ti-C bonds formed between MXene and PCWF can considerably expedite the conversion of polysulfides,effectively suppressing the shuttle effect.An impressive capacity of 1301.1 m A h g^(-1)at 0.5 C accompanied by remarkable stability is attained with the MX/PCWF host,as evidenced by the capacity maintenance of 722.6 m A h g^(-1)after 500 cycles.Notably,the MX/PCWF/S cathode can still deliver a high capacity of 886.8 m A h g^(-1)at a high S loading of 5.6 mg cm^(-2).The construction of two-dimensional MXenes on natural wood fiber walls offers a competitive edge over S-based cathode materials and demonstrates a novel strategy for developing high-performance batteries. 展开更多
关键词 Lithium-sulfur batteries S cathodes MXene nanosheets Wood fiber C-Ti-C bonds
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Biomass valorization via electrocatalytic carbon–carbon bond cleavage
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作者 Keping Wang Zhenyan Guo +5 位作者 Min Zhou Ying Yang Lanyun Li Hu Li Rafael Luque Shunmugavel Saravanamurugan 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期542-578,共37页
Renewable electrocatalytic upgrading of biomass feedstocks into valuable chemicals is one of the promising strategies to relieve the pressure of traditional energy-based systems.Through electrocatalytic carbon–carbon... Renewable electrocatalytic upgrading of biomass feedstocks into valuable chemicals is one of the promising strategies to relieve the pressure of traditional energy-based systems.Through electrocatalytic carbon–carbon bond cleavage of high selectivity,various functionalized molecules,such as organic acids,amides,esters,and nitriles,have great potential to be accessed from biomass.However,it has merely received finite concerns and interests in the biorefinery.This review first showcases the research progress on the electrocatalytic conversion of lipid/sugar-and lignin-derived molecules(e.g.,glycerol,mesoerythritol,xylose,glucose,1-phenylethanol,and cyclohexanol)into organic acids via specific carbon–carbon bond scission processes,with focus on disclosing reaction mechanisms,recognizing actual active species,and collecting feasible modification strategies.For the guidance of further extensive studies on biomass valorization,organic transformations via a variety of reactions,including decarboxylation,ring-opening,rearrangement,reductive hydrogenation,and carboxylation,are also disclosed for the construction of similar carbon skeletons/scaffolds.The remaining challenges,prospective applications,and future objectives in terms of biomass conversion are also proposed.This review is expected to provide references to develop renewed electrocatalytic carbon–carbon bond cleavage transformation paths/strategies for biomass upgrading. 展开更多
关键词 ELECTROCATALYSIS Biomass conversion Carbon-carbon bond cleavage Organic acids
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Achieving Narrowed Bandgaps and Blue-Light Excitability in Zero-Dimensional Hybrid Metal Halide Phosphors via Introducing Cation-Cation Bonding
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作者 Pengfei Fu Shining Geng +7 位作者 Ruixiang Mi Ranyun Wu Guangya Zheng Binbin Su Zhiguo Xia Guangda Niu Jiang Tang Zewen Xiao 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第1期294-300,共7页
Zero-dimensional(0D)hybrid metal halides,which consist of organic cations and isolated inorganic metal halide anions,have emerged as phosphors with efficient broadband emissions.However,these materials generally have ... Zero-dimensional(0D)hybrid metal halides,which consist of organic cations and isolated inorganic metal halide anions,have emerged as phosphors with efficient broadband emissions.However,these materials generally have too wide bandgaps and thus cannot be excited by blue light,which hinders their applications for efficient white light-emitting diodes(WLEDs).The key to achieving a blue-light-excitable 0D hybrid metal halide phosphor is to reduce the fundamental bandgap by rational chemical design.In this work,we report two designed hybrid copper(I)iodides,(Ph_(3)MeP)_(2)Cu_(4)I_(6)and(Cy_(3)MeP)_(2)Cu_(4)I_(6),as blue-light-excitable yellow phosphors with ultrabroadband emission.In these compounds,the[Cu_(4)I_(6)]^(2-)anion forms an I6 octahedron centered on a cationic Cu_(4)tetrahedron.The strong cation-cation bonding within the unique cationic Cu_(4)tetrahedra enables significantly lowered conduction band minimums and thus narrowed bandgaps,as compared to other reported hybrid copper(I)iodides.The ultrabroadband emission is attributed to the coexistence of free and self-trapped excitons.The WLED using the[Cu_(4)I_(6)]^(2-)anion-based single phosphor shows warm white light emission,with a high luminous efficiency of 65 Im W^(-1)and a high color rendering index of 88.This work provides strategies to design narrow-bandgap 0D hybrid metal halides and presents two first examples of blue-light-excitable 0D hybrid metal halide phosphors for efficient WLEDs. 展开更多
关键词 blue-light-excitable cation-cation bonding hybrid metal halide phosphor ZERO-DIMENSIONAL
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Mechanical properties and interfacial characteristics of 6061 Al alloy plates fabricated by hot-roll bonding
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作者 Zongan Luo Xin Zhang +3 位作者 Zhaosong Liu Hongyu Zhou Mingkun Wang Guangming Xie 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第8期1890-1899,共10页
This work aims to investigate the mechanical properties and interfacial characteristics of 6061 Al alloy plates fabricated by hotroll bonding(HRB)based on friction stir welding.The results showed that ultimate tensile... This work aims to investigate the mechanical properties and interfacial characteristics of 6061 Al alloy plates fabricated by hotroll bonding(HRB)based on friction stir welding.The results showed that ultimate tensile strength and total elongation of the hot-rolled and aged joints increased with the packaging vacuum,and the tensile specimens fractured at the matrix after exceeding 1 Pa.Non-equilibrium grain boundaries were formed at the hot-rolled interface,and a large amount of Mg_(2)Si particles were linearly precipitated along the interfacial grain boundaries(IGBs).During subsequent heat treatment,Mg_(2)Si particles dissolved back into the matrix,and Al_(2)O_(3) film remaining at the interface eventually evolved into MgO.In addition,the local IGBs underwent staged elimination during HRB,which facilitated the interface healing due to the fusion of grains at the interface.This process was achieved by the dissociation,emission,and annihilation of dislocations on the IGBs. 展开更多
关键词 6061 Al alloy hot-roll bonding VACUUM mechanical properties interfacial grain boundaries
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High mechanical strength Si anode synthesis with interlayer bonded expanded graphite structure for lithium-ion batteries
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作者 Wenhui Lai Jong Hak Lee +8 位作者 Lu Shi Yuqing Liu Yanhui Pu Yong Kang Ong Carlos Limpo Ting Xiong Yifan Rao Chorng Haur Sow Barbaros Ozyilmaz 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期253-263,I0007,共12页
Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries,their widespread commercial adoption is still hindered by significant volume expansion during cycling,especially at high active mass... Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries,their widespread commercial adoption is still hindered by significant volume expansion during cycling,especially at high active mass loadings crucial for practical use.The root of these challenges lies in the mechanical instability of the material,which subsequently leads to the structural failure of the electrode.Here,we present a novel synthesis of a composite combining expanded graphite and silicon nanoparticles.This composite features a unique interlayer-bonded graphite structure,achieved through the application of a modified spark plasma sintering method.Notably,this innovative structure not only facilitates efficient ion and electron transport but also provides exceptional mechanical strength(Vickers hardness:up to658 MPa,Young's modulus:11.6 GPa).This strength effectively accommodates silicon expansion,resulting in an impressive areal capacity of 2.9 mA h cm^(-2)(736 mA h g^(-1)) and a steady cycle life(93% after 100cycles).Such outsta nding performance is paired with features appropriate for large-scale industrial production of silicon batteries,such as active mass loading of at least 3.9 mg cm^(-2),a high-tap density electrode material of 1.68 g cm^(-3)(secondary clusters:1.12 g cm^(-3)),and a production yield of up to 1 kg per day. 展开更多
关键词 Lithium-ion battery Silicon anode Spark plasma sintering Interlayer bonding Mechanical strength Tap density
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Design method of extractant for liquid-liquid extraction based on elements and chemical bonds
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作者 Yuwen Wei Chunling Zhang +4 位作者 Yue Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第4期193-202,共10页
In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and e... In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value. 展开更多
关键词 Molecular design Element and chemical bonds Molecular simulation THERMODYNAMICS Solvent extraction
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Machine-Learning-Assisted Design of Deep Eutectic Solvents Based on Uncovered Hydrogen Bond Patterns
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作者 Usman L.Abbas Yuxuan Zhang +4 位作者 Joseph Tapia Selim Md Jin Chen Jian Shi Qing Shao 《Engineering》 SCIE EI CAS CSCD 2024年第8期74-83,共10页
Non-ionic deep eutectic solvents(DESs)are non-ionic designer solvents with various applications in catalysis,extraction,carbon capture,and pharmaceuticals.However,discovering new DES candidates is challenging due to a... Non-ionic deep eutectic solvents(DESs)are non-ionic designer solvents with various applications in catalysis,extraction,carbon capture,and pharmaceuticals.However,discovering new DES candidates is challenging due to a lack of efficient tools that accurately predict DES formation.The search for DES relies heavily on intuition or trial-and-error processes,leading to low success rates or missed opportunities.Recognizing that hydrogen bonds(HBs)play a central role in DES formation,we aim to identify HB features that distinguish DES from non-DES systems and use them to develop machine learning(ML)models to discover new DES systems.We first analyze the HB properties of 38 known DES and 111 known non-DES systems using their molecular dynamics(MD)simulation trajectories.The analysis reveals that DES systems have two unique features compared to non-DES systems:The DESs have①more imbalance between the numbers of the two intra-component HBs and②more and stronger inter-component HBs.Based on these results,we develop 30 ML models using ten algorithms and three types of HB-based descriptors.The model performance is first benchmarked using the average and minimal receiver operating characteristic(ROC)-area under the curve(AUC)values.We also analyze the importance of individual features in the models,and the results are consistent with the simulation-based statistical analysis.Finally,we validate the models using the experimental data of 34 systems.The extra trees forest model outperforms the other models in the validation,with an ROC-AUC of 0.88.Our work illustrates the importance of HBs in DES formation and shows the potential of ML in discovering new DESs. 展开更多
关键词 Machine learning Deep eutectic solvents Molecular dynamics simulations Hydrogen bond Molecular design
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Effect of interlayer bonded bilayer graphene on friction
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作者 李耀隆 田振国 +1 位作者 尹海峰 张任良 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第8期389-395,共7页
We study the friction properties of interlayer bonded bilayer graphene by simulating the movement of a slider on the surface of bilayer graphene using molecular dynamics.The results show that the presence of the inter... We study the friction properties of interlayer bonded bilayer graphene by simulating the movement of a slider on the surface of bilayer graphene using molecular dynamics.The results show that the presence of the interlayer covalent bonds due to the local sp^(3) hybridization of carbon atoms in the bilayer graphene seriously reduces the frictional coefficient of the bilayer graphene surface to 30%,depending on the coverage of interlayer sp^(3) bonds and normal loads.For a certain coverage of interlayer sp3bonds,when the normal load of the slider reaches a certain value,the surface of this interlayer bonded bilayer graphene will lose the friction reduction effect on the slider.Our findings provide guidance for the regulation and manipulation of the frictional properties of bilayer graphene surfaces through interlayer covalent bonds,which may be useful for applications of friction related graphene based nanodevices. 展开更多
关键词 nanoscale friction molecular dynamic simulation bilayer graphene interlayer covalent bond
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Intramolecular Hydrogen Bond Improved Durability and Kinetics for Zinc‑Organic Batteries
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作者 Tianjiang Sun Jun Pan +5 位作者 Weijia Zhang Xiaodi Jiang Min Cheng Zhengtai Zha Hong Jin Fan Zhanliang Tao 《Nano-Micro Letters》 SCIE EI CSCD 2024年第3期138-148,共11页
Organic compounds have the advantages of green sustainability and high designability,but their high solubility leads to poor durability of zinc-organic batteries.Herein,a high-performance quinone-based polymer(H-PNADB... Organic compounds have the advantages of green sustainability and high designability,but their high solubility leads to poor durability of zinc-organic batteries.Herein,a high-performance quinone-based polymer(H-PNADBQ)material is designed by introducing an intramolecular hydrogen bonding(HB)strategy.The intramolecular HB(C=O⋯N-H)is formed in the reaction of 1,4-benzoquinone and 1,5-naphthalene diamine,which efficiently reduces the H-PNADBQ solubility and enhances its charge transfer in theory.In situ ultraviolet-visible analysis further reveals the insolubility of H-PNADBQ during the electrochemical cycles,enabling high durability at different current densities.Specifically,the H-PNADBQ electrode with high loading(10 mg cm^(-2))performs a long cycling life at 125 mA g^(-1)(>290 cycles).The H-PNADBQ also shows high rate capability(137.1 mAh g^(−1)at 25 A g^(−1))due to significantly improved kinetics inducted by intramolecular HB.This work provides an efficient approach toward insoluble organic electrode materials. 展开更多
关键词 Zn-organic batteries H-PNADBQ polymer Intramolecular hydrogen bond Reduced solubility Improvedπ-conjugated level
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3D reconstruction and defect pattern recognition of bonding wire based on stereo vision
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作者 Naigong Yu Hongzheng Li +2 位作者 Qiao Xu Ouattara Sie Essaf Firdaous 《CAAI Transactions on Intelligence Technology》 SCIE EI 2024年第2期348-364,共17页
Non-destructive detection of wire bonding defects in integrated circuits(IC)is critical for ensuring product quality after packaging.Image-processing-based methods do not provide a detailed evaluation of the three-dim... Non-destructive detection of wire bonding defects in integrated circuits(IC)is critical for ensuring product quality after packaging.Image-processing-based methods do not provide a detailed evaluation of the three-dimensional defects of the bonding wire.Therefore,a method of 3D reconstruction and pattern recognition of wire defects based on stereo vision,which can achieve non-destructive detection of bonding wire defects is proposed.The contour features of bonding wires and other electronic components in the depth image is analysed to complete the 3D reconstruction of the bonding wires.Especially to filter the noisy point cloud and obtain an accurate point cloud of the bonding wire surface,a point cloud segmentation method based on spatial surface feature detection(SFD)was proposed.SFD can extract more distinct features from the bonding wire surface during the point cloud segmentation process.Furthermore,in the defect detection process,a directional discretisation descriptor with multiple local normal vectors is designed for defect pattern recognition of bonding wires.The descriptor combines local and global features of wire and can describe the spatial variation trends and structural features of wires.The experimental results show that the method can complete the 3D reconstruction and defect pattern recognition of bonding wires,and the average accuracy of defect recognition is 96.47%,which meets the production requirements of bonding wire defect detection. 展开更多
关键词 bonding wire defect detection point cloud point cloud segmentation
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Time-dependent effects in transient liquid phase bonding of 304L and Cp-Ti using an Ag-Cu interlayer
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作者 Saeed VAZIRIAN Mohammad MOSHKBAR BAKHSHAYESH Ali FARZADI 《Journal of Central South University》 SCIE EI CAS CSCD 2024年第7期2237-2255,共19页
One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm ... One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm for bonding time of 20,40,60,and 90 min.The bonding temperature of 860℃ was considered,which is under the β transus temperature of Cp-Ti.During TLP bonding,various intermetallic compounds(IMCs),including Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe),Ti_(2)(Cu,Ag),and Ti_(2)Cu from 304L toward Cp-Ti formed in the joint.Also,on the one side,with the increase in time,further diffusion of elements decreases the blocky IMCs such as Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe)in the 304L diffusion-affected zone(DAZ)and reaction zone,and on the other side,Ti_(2)(Cu,Ag)IMC transformed into fine morphology toward Cp-Ti DAZ.The microhardness test also demonstrated that the(Cr,Fe)_(2)Ti+Ti_(5)Cr_(7)Fe_(17) IMCs in the DAZ on the side of 304L have a hardness value of HV 564,making it the hardest phase.The maximum and minimum shear strength values are equal to 78.84 and 29.0 MPa,respectively.The cleavage pattern dominated fracture surfaces due to the formation of brittle phases in dissimilar joints. 展开更多
关键词 diffusion brazing transient liquid phase bonding dissimilar material joints microstructural evolution mechanical properties grade 2 titanium
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Structure Regulation of Electric Double Layer via Hydrogen Bonding Effect to Realize High-Stability Lithium-Metal Batteries
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作者 Sheng Liu Chaozhu Shu +8 位作者 Yu Yan Dayue Du Longfei Ren Ting Zeng Xiaojuan Wen Haoyang Xu Xinxiang Wang Guilei Tian Ying Zeng 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第3期72-83,共12页
The interfacial chemistry of solid electrolyte interphases(SEI)on lithium(Li)electrode is directly determined by the structural chemistry of the electric double layer(EDL)at the interface.Herein,a strategy for regulat... The interfacial chemistry of solid electrolyte interphases(SEI)on lithium(Li)electrode is directly determined by the structural chemistry of the electric double layer(EDL)at the interface.Herein,a strategy for regulating the structural chemistry of EDL via the introduction of intermolecular hydrogen bonds has been proposed(p-hydroxybenzoic acid(pHA)is selected as proof-of-concept).According to the molecular dynamics(MD)simulation and density functional theory(DFT)calculation results,the existence of hydrogen bonds realizes the anion structural rearrangement in the EDL,reduces the lowest unoccupied molecular orbital(LUMO)energy level of anions in the EDL,and the number of free solvent molecules,which promotes the formation of inorganic species-enriched SEI and eventually achieves the dendrite-free Li deposition.Based on this strategy,Li‖Cu cells can stably run over 185 cycles with an accumulated active Li loss of only 2.27 mAh cm^(-2),and the long-term cycle stability of Li‖Li cells is increased to 1200 h.In addition,the full cell pairing with the commercial LiFePO_(4)(LFP)cathodes exhibits stable cycling performance at 1C,with a capacity retention close to 90%after 200 cycles. 展开更多
关键词 electric double layer electrolyte additives intermolecular hydrogen bonds Li metal batteries p-Hydroxybenzoic acid
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Carbon Fiber Breakage Mechanism in Aluminum(Al)/Carbon Fibers(CFs) Composite Sheet during Accumulative Roll Bonding(ARB) Process
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作者 胡淑芬 SUN Zhenzhong +3 位作者 SHEN Fanghua DENG Jun 杨卫平 杨浩坤 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第1期167-173,共7页
We put forward a method of fabricating Aluminum(Al)/carbon fibers(CFs) composite sheets by the accumulative roll bonding(ARB) method. The finished Al/CFs composite sheet has CFs and pure Al sheets as sandwich and surf... We put forward a method of fabricating Aluminum(Al)/carbon fibers(CFs) composite sheets by the accumulative roll bonding(ARB) method. The finished Al/CFs composite sheet has CFs and pure Al sheets as sandwich and surface layers. After cross-section observation of the Al/CFs composite sheet, we found that the CFs discretely distributed within the sandwich layer. Besides, the tensile test showed that the contribution of the sandwich CFs layer to tensile strength was less than 11% compared with annealed pure Al sheet. With ex-situ observation of the CFs breakage evolution with-16%,-32%, and-45% rolling reduction during the ARB process, the plastic instability of the Al layer was found to bring shear damages to the CFs. At last, the bridging strengthening mechanism introduced by CFs was sacrificed. We provide new insight into and instruction on Al/CFs composite sheet preparation method and processing parameters. 展开更多
关键词 Al/CFs composite sheet accumulative roll bonding tensile strength plastic instability carbon fiber breakage
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