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Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface:A First‑Principles Study

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Nano-Micro Letters 2024年第6期16卷 180-191页

作者： Xiaoyu Liu Yiming Guo Fanghua Ning Yuyu Liu Siqi Shi Qian Li Jiujun Zhang Shigang Lu Jin Yi Institute for Sustainable Energy&Department of Chemistry Shanghai UniversityShanghai 200444People’s Republic of China School of Materials science and Engineering Shanghai UniversityShanghai 200444People’s Republic of China College of Materials science and Engineering National Engineering Research Center for Magnesium AlloysChongqing UniversityChongqing 400044People’s Republic of China

Hydrogen evolution reaction(HER)has become a key factor affecting the cycling stability of aqueous Zn-ion batteries,while the corresponding fundamental issues involving HER are still ***,the reaction mechanisms of HER on various crystalline surfaces have been investigated by first-principle calculations based on density functional *** is found that the Volmer step is the ratelimiting step of HER on the Zn(002)and(100)surfaces,while,the reaction rates of HER on the Zn(101),(102)and(103)surfaces are determined by the Tafel ***,the correlation between HER activity and the generalized coordination number(CN)of Zn at the surfaces has been *** relatively weaker HER activity on Zn(002)surface can be attributed to the higher CN of surface Zn *** atomically uneven Zn(002)surface shows significantly higher HER activity than the flat Zn(002)surface as the CN of the surface Zn atom is *** CN of surface Zn atom is proposed as a key descriptor of HER *** the CN of surface Zn atom would be a vital strategy to inhibit HER on the Zn anode surface based on the presented theoretical ***,this work provides a theoretical basis for the in-depth understanding of HER on the Zn surface.

关键词： Aqueous Zn-ion battery Zn anode Hydrogen evolution reaction Coordination number First-principles calculation

An efficient parallel algorithm of variational nodal method for heterogeneous neutron transport problems

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Nuclear science and Techniques 2024年第4期35卷 29-45页

作者： Han Yin Xiao-Jing Liu Teng-Fei Zhang School of Nuclear science and Engineering Shanghai Jiao Tong UniversityShanghai 2002040China

The heterogeneous variational nodal method(HVNM)has emerged as a potential approach for solving high-fidelity neutron transport ***,achieving accurate results with HVNM in large-scale problems using high-fidelity models has been challenging due to the prohibitive computational *** paper presents an efficient parallel algorithm tailored for HVNM based on the Message Passing Interface *** algorithm evenly distributes the response matrix sets among processors during the matrix formation process,thus enabling independent construction without *** the formation tasks are completed,a collective operation merges and shares the matrix sets among the *** the solution process,the problem domain is decomposed into subdomains assigned to specific processors,and the red-black Gauss-Seidel iteration is employed within each subdomain to solve the response matrix ***-to-point communication is conducted between adjacent subdomains to exchange data along the *** accuracy and efficiency of the parallel algorithm are verified using the KAIST and JRR-3 test *** results obtained with multiple processors agree well with those obtained from Monte Carlo *** parallelization of HVNM results in eigenvalue errors of 31 pcm/-90 pcm and fission rate RMS errors of 1.22%/0.66%,respectively,for the 3D KAIST problem and the 3D JRR-3 *** addition,the parallel algorithm significantly reduces computation time,with an efficiency of 68.51% using 36 processors in the KAIST problem and 77.14% using 144 processors in the JRR-3 problem.

关键词： Neutron transport Variational nodal method Parallelization KAIST JRR-3

A comprehensive review of recent advancements and developments in heat exchanger network synthesis techniques

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science China(Technological sciences) 2024年第2期67卷 335-356页

作者： XU Yue LIU WeiWei ZHANG Lu CUI Guo Min XIAO Yuan ZHANG GuanHua YANG QiGuo School of Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai 200093China

The rapid development of computational technology and the increasing energy demand have improved heat exchanger network(HEN)*** HEN synthesis involves several optimizations of matches,distributions of heat loads,and stream splitting of heat ***,obtaining good results at high efficiency has been the main standard for evaluating the techniques in the research area of HEN *** paper first summarizes and analyzes the main contributions of the existing HEN synthesis *** compare related data quantitively,information on ten typical cases is presented in this ***,recently improved solutions for commonly encountered existing literature cases demonstrate the evolution and competition trends in the field of HEN *** comparison data presented in this paper not only provide a useful reference for future research but also present the optimization *** on the findings of this study,it is noted that there is still a large room for improvement,and current approaches are incapable of dealing with all HEN ***,it is still difficult to escape a local optimum and overcome structural constraints when seeking the global *** a follow-up to the current work,the parallel computing mode and adaptively coordinating the ratio of global and local searching abilities are major development trends for future investigation.

关键词： heat integration heat exchanger network synthesis sequential synthesis method simultaneous synthesis method optimization techniques development optimization quality

Microstructure and impact behavior of Mg-4Al-5RE-xGd cast magnesium alloys

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Journal of Magnesium and Alloys 2024年第5期12卷 1799-1814页

作者： Jie Wei Qudong Wang Huisheng Cai Mahmoud Ebrahimi Chuan Lei national Engineering Research Center of Light Alloy Net Forming and Key State Laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China

This work investigated the microstructure and impact behavior of Mg-4Al-5RE-xGd(RE represents La-Ce mischmetal;x=0,0.2,0.7 wt.%)alloys cast by high-pressure die casting(HPDC),permanent mold casting(PMC),and sand casting(SC)*** results indicated that with increasing Gd content,the grain sizes of the HPDC alloy had a slight change,but the grains of the PMC and SC alloys were significantly ***,the acicular Al_(11)RE_(3)phase was modified into the short-rod shape under the three casting *** impact toughness of the studied alloy was mainly dominated by the absorbed energy during the crack *** increasing Gd content,the impact toughness of the studied alloy monotonically increased due to the lower tendency of the modified second phase toward crack *** impact stress was higher than the tensile stress,exhibiting a strain rate sensitivity for the mechanical response;however,the HPDC alloy had an inconsistent strain rate sensitivity during the impact event due to the transformation of the deformation mechanism from twinning to slip with increasing *** dimples covered the fracture surface of the fine-grained HPDC alloys,indicating a typical ductile ***,due to the deficient{1012}twinning activity and the suppressed grain boundary sliding during the impact event,the HPDC alloys showed insufficient plastic deformation capacity.

关键词： Mg-Al-RE alloy Gadolinium Microstructure Impact behavior

A Review on Particle Reinforced Mg Matrix Composites Fabricated by Powder Metallurgy

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Acta Metallurgica Sinica(English Letters) 2024年第3期37卷 391-400页

作者： Zhiyuan Liu Li Jin Jian Zeng Fulin Wang Fenghua Wang Shuai Dong Jie Dong national Engineering Research Center of Light Alloy Net Forming and State Key Laboratory of Metal Matrix Composite School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China

This paper provides a comprehensive review of research progress in particle-reinforced Mg matrix composites prepared via powder *** article discusses different strategies,such as micro-sized,nano-sized particles,and multi-particle hybridization,which has been employed to enhance the performance of the *** addition,a range of preparation techniques that optimize the dispersion of the reinforcing particles are *** paper also highlights how the different configurations between the reinforcements and matrix alloy impact the composites’***,the article outlines the prospects of particles reinforced Mg matrix composites fabricated via powder metallurgy and recommends modification methods that could be explored to further develop these materials for various applications.

关键词： Magnesium matrix composites Reinforcing particle Powder metallurgy Mechanical properties Configuration

A review of microwave-metal discharge interaction:Mechanism,regulation,and application for synthesis of nanomaterials

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Nano Research 2024年第10期17卷 9225-9254页

作者： Yixuan Xie Ruiqian Shi Benwei Fu Chengyi Song Wen Shang Peng Tao Tao Deng State Key Laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China national Engineering Research Center of Special Equipment and Power System for Ship and Marine Engineering Shanghai 200030China

Placing metals within microwave ovens has been generally viewed as a dangerous practice because of occurrence of violent discharge,but in recent years such discharge phenomenon has attracted increasing attention and has enabled a variety of exciting *** this work,we provide a comprehensive review of fundamental understanding of microwave-metal discharge interaction and its state-of-the-art application for nanomaterials *** introduce the microscopic interaction between different categories of materials and the electric and magnetic field of *** microwave-metal interaction,we highlight its size-dependence and point out the influence of the oxide layer on the surface of *** discuss the required conditions for occurrence of discharge,microscopic formation mechanism,and characteristic features of microwave-metal discharge *** analyzing the influence from the microwave input,discharging metals,and surrounding discharging media,we discuss the strategy for systematical regulation of the discharge *** describe the applications of the microwave-metal discharge for facile synthesis of various functional nanomaterials including core-shell carbon/metal,metal oxides,metal chalcogenides,intermetallic compounds,metallic nanoparticles and metallic compounds,and organic ***,the challenges in precise characterization and dynamic regulation of the discharge process as well as exciting application opportunities are discussed.

关键词： microwave-metal interaction discharge microwave heating skin depth nanomaterial synthesis

Differential interference contrast phase edging net:an all-optical learning system for edge detection of phase objects

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Chinese Optics Letters 2024年第1期22卷 21-27页

作者：李一鸣李然陈泉栾海涛卢海军杨晖顾敏张启明 Institute of Photonic Chips University of Shanghai for Science and TechnologyShanghai 200093China School of Optical-Electrical and Computer Engineering University of Shanghai for Science and TechnologyShanghai 200093China Nokia shanghai Bell Co. Ltd.Shanghai 201206China College of Medical Instruments Shanghai University of Medicine and Health SciencesShanghai 201318China

Edge detection for low-contrast phase objects cannot be performed directly by the spatial difference of intensity *** this work,an all-optical diffractive neural network(DPENet)based on the differential interference contrast principle to detect the edges of phase objects in an all-optical manner is *** information is encoded into an interference light field by dual Wollaston prisms without lenses and light-speed processed by the diffractive neural network to obtain the scale-adjustable *** results show that DPENet achieves F-scores of 0.9308(MNIST)and 0.9352(NIST)and enables real-time edge detection of biological cells,achieving an F-score of 0.7462.

关键词： diffractive neural network edge detection phase objects

Growth,optical dispersion and magnetic behavior of Dy^(3+) doped yttrium iron garnet crystals

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Journal of Rare Earths 2024年第6期42卷 1110-1117,I0004页

作者： Yating Fang Hui Shen Yudie Ma Shijie Liao Shuang Xia Tian Tian Ding Zhou Yunfeng Ma Jiayue Xu Institute of Crystal Growth School of Materials Science and EngineeringShanghai Institute of Technology national Engineering Center of Electromagnetic Radiation Control Materials School of Electronic Science and EngineeringUniversity of Electronic Science and Technology of China

Y_(3)Fe_(5)O_(12)(YIG)crystals are highly desirable for the fabrication of mid-infrared isolators with the rapid growth of optical communications,although it is rather challenging to grow large size and high-quality single ***^(3+)doping is expected to improve the optical and magneto-optical prope ***,high quality Dy:YIG crystals and the adjustment of Dy^(3+)on the structure and optical behavior of YIG crystal remain unclear,impeding its practical ***,a series of Y_(3-x)Dy_(x)Fe_(5)O_(12)(x=0,0.5,1.0,1.5,3)solid solution crystals was grown by the flux-Bridgman method and single crystals up to 25 mm were *** the introduction of Dy^(3+),lattice parameters are gradually enlarged from 1.2379 nm(YIG)to 1.2420 nm(DyIG).Typical Dy^(3+)absorption peaks are observed around 1070,1265 and 1670 *** refractive index decreases from 2.37(500 nm)to 2.10(2500 nm)for YIG crystal,and it reduces from 2.47(500 nm)to 2.16(2500 nm)for DyIG *** optical bandgaps remain almost unchanged for Dy:YIG *** optical dispersion of the refractive indices was finely fitted by the Wemple and DiDomenico(WDD)and the Sellmeier models,*** the increase of Dy^(3+)content,the saturation magnetization(Ms)decreases significantly from 23.62 emu/g(YIG)to 5.33 emu/g(DyIG).Small coercive field is persisted for this system,endowing small external magnetic *** results provide valuable references for the manipulation of rare earths on the properties of magnetooptical crystals,which is beneficial to the design of high-performance garnet crystals for the application of optical switching and non-reciprocal related devices.

关键词： Magneto-optical crystal Yttrium iron garnet Dy^(3+)doping Crystal growth Optical dispersion Rare earths

A novel Ag/ZnO core-shell structure for efficient sterilization synergizing antibiotics and subsequently removing residuals

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Green Energy & Environment 2024年第2期9卷 366-377页

作者： Wenmei Han Wenli Wang Jie Fan Runping Jia Xuchun Yang Tong Wu Qingsheng Wu School of Chemical science and Engineering Shanghai Key Laboratory of Chemical Assessment and SustainabilityInstitute of Advanced StudyTongji UniversityShanghai200092China College of Textile and Clothing Engineering China National Textile and Apparel Council Key Laboratory of Natural DyesSoochow UniversitySuzhou215123China Department of Urology Shanghai First People’s HospitalSchool of MedicineShanghai Jiaotong UniversityShanghai200080China School of Materials science and Engineering Shanghai Institute of TechnologyShanghai201418China

The massive use of antibiotics has led to the aggravation of bacterial resistance and also brought environmental pollution *** poses a great threat to human *** the dosage of antibiotics is reduced by increasing its bactericidal performance,the emergence of drug resistance is certainly delayed,so that there's not enough time for developing drug resistance during ***,we selected typical representative materials of metal Ag and semiconductor ZnO nano-bactericides to design and synthesize Ag/ZnO hollow core-shell structures(AZ for short).Antibiotics are grafted on the surface of AZ through rational modification to form a composite sterilization *** research results show that the antibacterial efficiency of the composite system is significantly increased,from the sum(34.7%+22.8%-57.5%)of the antibacterial efficiency of AZ and gentamicin to 80.2%,net synergizes 22.7%,which fully reflects the effect of 1+1>***,the dosage of antibiotics can be drastically reduced in this way,which makes both the possibility of bacterial resistance and medical expenses remarkably ***,residual antibiotics can be degraded under simple illumination using AZ-self as a photocatalyst,which cuts off the path of environmental *** short,such an innovative route has guiding significance for drug resistance.

关键词： Ag/ZnO hollow Core-shell structures Antibiotics Gentamycin Synergistic sterilization Photodegradation