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Journal of Alloys and Compounds 2025年 1032卷

作者： Jiang, Jing Ran, Jishang Tong, Lin Bi, Guangli Li, Yuandong Chen, Tijun State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of Technology Lanzhou730050 China School of Material Science and Engineering Lanzhou University of Technology Lanzhou730050 China AVIC Shaanxi Hongyuan Aviation Forging Company Ltd. Xianyang713801 China

The effect of stress loading direction on microstructure evolution and age-hardening behavior of a stress-aged Mg-7Sn alloy with a compressed stress of 40 MPa at 160 °C was investigated in this paper. The compressive stress perpendicular to the c-axis effectively facilitated the formation of a high volume fraction of twins and Mg2Sn phases, thereby promoting a c-axis//ED texture. In contrast, the stress parallel to the c-axis resulted in the formation of small amounts of twins and Mg2Sn phases, which further reinforced the basal plane texture. The stress aging with compressive stress applied perpendicular to the c-axis significantly increased the peak hardness of the alloy and reduced the time reached the peak hardness, compared to compressive stress applied parallel to the c-axis. The compressive testing results indicated that the stress peak-aged alloy perpendicular to the c-axis exhibited excellent mechanical properties, whose compressive yield strength, ultimate compressive strength and compressive elongation were 191.3 MPa, 449.9 MPa and 12.6 %, respectively. The high compressive strengths of the peak-aged alloy at a compressive stress perpendicular to the c-axis was mainly attributed to the grain refinement and precipitation strengthening of Mg2Sn phase. © 2025 Elsevier B.V.

关键词： Microhardness

High-throughput investigations of configurational-transformation-dominated serrations in CuZr/Cu nanolaminates

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Journal of Materials science & technology 2020年第18期52卷 192-199页

作者： William Yi Wang Bin Gana Deye Lin Jun Wang Yiguang Wang Bin Tang Hongchao Kou Shunli Shang Yi Wang Xingyu Gao Haifeng Song Xidong Hui Laszlo J.Kecskes Zhenhai Xia Karin A.Dahmen Peter K.Liaw Jinshan Lia Zi-Kui Liu State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an.710072China Beijing Key Laboratory of Advanced High Temperature Materials Central Iron and Steel Research InstituteBeijing100081China IMDEA Materials Institute Calle Eric Kandel 2GetafeMadrid28906Spain CAEP Software Center for High Performance Numerical Simulation Institute of Applied Physics and Computational MathematicsBeijing100088China Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA16802USA State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing100083China Hopkins Extreme Materials Institute Johns Hopkins UniversityBaltimoreMD21218USA Department of Physics University of Illinois at Urbana ChampaignUrbanaIL61801USA Department of Materials Science and Engineering The University of TennesseeKnoxvilleTN37996USA

Metallic amorphous/crystalline(A/C)nanolaminates exhibit excellent ductility while retaining their high ***,the underlying physical mechanisms and the resultant structural changes during plastic deformation still remain *** the present work,the structure-property relationship of CuZr/Cu A/C nanolaminates is established through integrated high-throughput micro-compression tests and molecular dynamics simulations together with high-resolution transmission electron *** serrated flow of nanolaminates results from the formation of hexagonal-close-packed(HCP)-type stacking faults and twins inside the face-centered-cubic(FCC)Cu nano-grains,the body-centered-cubic(BCC)-type ordering at their grain boundaries,and the crystallization of the amorphous CuZr *** serration behavior of CuZr/Cu A/C nanolaminates is determined by several factors,including the formation of dense dislocation networks from the multiplication of initial dislocations that formed after yielding,weak-spots-related configurational-transitions and shear-transition-zone activities,and deformation-induced *** present work provides an insight into the heterogeneous deformation mechanism of A/C nanolaminates at the atomic scale,and mechanistic base for the microstructural design of self-toughening metallic-glass(MG)-based composites and A/C nanolaminates.

关键词： Nanolaminates Serration Configurational transformation Molecular dynamics Metallic glass

Galvanic Corrosion Behavior of Cu-Fe-Zn Trimetallic Couple in Acidic Media

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SSRN

SSRN 2022年

作者： Chen, Lei Daniel, Enobong Felix Wang, Changgang Liu, Chen Li, Chao Ma, Chaojiang Wu, Liping Bian, Guixue Chen, Shaofeng Ma, Rongyao Dong, Junhua Chen, Yiqing School of Materials Science and Engineering University of Science and Technology of China Shenyang110016 China Shenyang National Laboratory for Materials Science Institute of Metal Research Chinese Academy of Sciences Shenyang110016 China Naval Aviation University Qingdao Campus Qingdao266041 China Shi-changxu Innovation Center for Advanced Materials Institute of Metal Research Chinese Academy of Sciences Shenyang110016 China State Key Laboratory of Metal Material for Marine Equipment and Application Anshan114009 China

The galvanic corrosion behavior of Cu-Fe-Zn trimetallic couple and its factors were investigated in acidic chloride solution using electrochemical and numerical methods. Results demonstrated that the potential difference of galvanic couple reflects only the thermodynamic tendency of galvanic corrosion, while the cathodic kinetic process controls the galvanic corrosion rate. It is found that the galvanic effect between Cu and Zn is much less than that between Zn and Fe when ohmically coupled. This is opposite to the theory of galvanic series. Despite possessing the maximum corrosion potential difference as the driving force, the galvanic current of Zn-Cu couple was less than that of Zn-Fe couple with equal area ratio. This drove the intermediate metal (Fe) to act as the main cathode in Cu-Fe-Zn trimetallic couple. Furthermore, it is found that Fe can be transformed into the anode due to the area change of Cu. The electrochemical experimental results are in good agreement with the FEM, suggesting that this method can accurately predict the galvanic corrosion behavior of multielectrode systems. © 2022, The Authors. All rights reserved.

关键词： Galvanic corrosion

Conditional Generative Modeling for Amorphous Multi-Element Materials

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arXiv 2025年

作者： Li, Honglin Liu, Chuhao Guo, Yongfeng Luo, Xiaoshan Chen, Yijie Liu, Guangsheng Li, Yu Wang, Ruoyu Wang, Zhenyu Wu, Jianzhuo Ma, Cheng Xie, Zhuohang Lv, Jian Ding, Yufei Zhang, Huabin Luo, Jian Zhong, Zhicheng Li, Mufan Wang, Yanchao Li, Wan-Lu Key Laboratory of Material Simulation Methods and Software Ministry of Education College of Physics Jilin University Changchun China Aiiso Yufeng Li Family Department of Chemical and Nano Engineering University of California La Jolla San DiegoCA United States Institute of Molecular Engineering Plus College of Chemistry Fuzhou University Fuzhou China College of Chemistry and Molecular Engineering Peking University Beijing China School of Physics Nankai University Tianjin China Institute of Modern Physics Fudan University Shanghai China Program in Materials Science and Engineering University of California La Jolla San DiegoCA United States School of Artificial Intelligence and Data Science University of Science and Technology of China Hefei230026 China Suzhou Institute for Advanced Research University of Science and Technology of China Suzhou215123 China International Center of Future Science Jilin University Changchun China Department of Computer Science and Engineering University of California La Jolla San DiegoCA United States Center for Renewable Energy and Storage Technologies Physical Science and Engineering Division King Abdullah University of Science and Technology Thuwal Saudi Arabia Suzhou Lab Suzhou215123 China

Amorphous multi-element materials offer unprecedented tunability in composition and properties, yet their rational design remains challenging due to the lack of predictive structure-property relationships and the vast configurational space. Traditional modeling struggles to capture the intricate short-range order that dictates their stability and functionality. We here introduce ApolloX, a pioneering predictive framework for amorphous multi-element materials, establishing a new paradigm by integrating physics-informed generative modeling with particle swarm optimization, using chemical short-range order as an explicit constraint. By systematically navigating the disordered energy landscape, ApolloX enables the targeted design of thermodynamically stable amorphous configurations. It accurately predicts atomic-scale arrangements, including composition-driven metal clustering and amorphization trends, which are well-validated by experiments, while also guiding synthesis by leveraging sluggish diffusion to control elemental distribution and disorder. The resulting structural evolution, governed by composition, directly impacts catalytic performance, leading to improved activity and stability with increasing amorphization. This predictive-experimental synergy transforms the discovery of amorphous materials, unlocking new frontiers in catalysis, energy storage, and functional disordered systems. Copyright © 2025, The Authors. All rights reserved.

关键词： Amorphization

The Critical Metallization of Hydrogen in Pressurized LaBeH8 Hydride

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arXiv 2024年

作者： Zhang, Zihan Cui, Tian Yao, Yansun Ma, Tianchen Jiang, Qiwen Jia, Haojun Monserrat, Bartomeu Pickard, Chris J. Duan, Defang State Key Laboratory of Superhard Materials Key Laboratory of Material Simulation Methods & Software of Ministry of Education College of Physics Jilin University Changchun130012 China Institute of High Pressure Physics School of Physical Science and Technology Ningbo University Ningbo315211 China Department of Physics and Engineering Physics University of Saskatchewan SaskatoonSKS7N 5E2 Canada Department of Chemistry Massachusetts Institute of Technology CambridgeMA02139 United States Department of Materials Science & Metallurgy University of Cambridge 27 Charles Babbage Road CambridgeCB3 0FS United Kingdom Cavendish Laboratory University of Cambridge J. J. Thomson Avenue CambridgeCB3 0HE United Kingdom Advanced Institute for Materials Research Tohoku University 2-1-1 Katahira Aoba Sendai980-8577 Japan

Behaviours of hydrogen, such as fluidity and metallicity, are crucial for our understanding of planetary interiors and the emerging field of high-temperature superconducting hydrides. These behaviours were discovered in complex phase diagrams of hydrogen and hydrides, however, the transition mechanism of behaviours driven by temperature, pressure and chemical compression remain unclear, particularly in the processes of metallization. Until now, a comprehensive theoretical framework to quantify atomization and metallization of hydrogen in phase diagram of hydrides has been lacking. In this study, we address this gap by combining molecular dynamics and electronic structure analysis to propose a theoretical framework, which clarify the content and properties of atomic hydrogen under various temperature and pressure conditions and chemical compression exerted by non-hydrogen elements in hydrides. Applying this framework to the superconducting hydride LaBeH8, we identify three general hydrogen orderings within its phase diagram: molecular, sublattice and warm hydrogens. During the phase transition from molecule to sublattice, hydrogen exhibits different properties from three general hydrogen orderings, such as fast superionicity, metallicity and unusual atomic content response to temperature. These abnormal behaviours were defined as the critical metallization of hydrogen, which not only suggests a potential synthesis route for the metastable phase but also provides valuable insights into the complex synthetic products of superconducting hydrides. Copyright © 2024, The Authors. All rights reserved.

关键词： Molecular dynamics

Fatigue Behavior of Thermal Barrier Coated DD6 Single Crystal Superalloy at 900 °C

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Fatigue Behavior of Thermal Barrier Coated DD6 Single Crysta...

Chinese Materials Conference, CMC 2018

作者： Dong, Jianmin Li, Jiarong Mu, Rende Tian, He Science and Technology on Advanced High Temperature Structural Materials Laboratory Beijing Institute of Aeronautical Materials Beijing100095 China Aviation Key Laboratory of Science and Technology on Advanced Corrosion and Protection for Aviation Material Beijing Institute of Aeronautical Materials Beijing100095 China

ISBN: (纸本)9789811359439

Thermal barrier coatings (TBCs) were deposited on DD6 specimens with [001] orientation, and the TBCs coated DD6 specimens were exposed at 1150 °C for one hour. Then, both the TBCs coated and bared specimens were subjected to high-cycle fatigue (HCF) testing at 900 °C in ambient atmosphere. The results revealed that the HCF life decreased with increasing stress amplitude and the fatigue strength of the TBCs coated substrate was higher than that of the bared alloy. There are two main reasons for this phenomenon, one is because the coating can bear part of the load and make the specimens stronger and the other is the existence of residual compressive stresses. SEM and TEM were used to observe the microstructure near the fracture. For the TBCs coated alloy, many pores and cracks appeared at the bond coat after HCF test, and the fatigue cracks may be resulted from some of them. In the process of testing, the crack expanded to the substrate and propagated along {111} octahedral slip planes. © 2019, Springer Nature Singapore Pte Ltd.

关键词： Thermal barrier coatings

Continuous and comprehensive atmospheric observations in Beijing:a station to understand the complex urban atmospheric environment

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Big Earth Data 2020年第3期4卷 295-321页

作者： Yongchun Liu Chao Yan Zemin Feng Feixue Zheng Xiaolong Fan Yusheng Zhang Chang Li Ying Zhou Zhuohui Lin Yishou Guo Ying Zhang Li Ma Wenshuo Zhou Zhikun Liu Lubna Dada Kaspar Dallenbach Jenni Kontkanen Runlong Cai Tommy Chan Biwu Chu Wei Du Lei Yao Yonghong Wang Jing Cai Juha Kangasluoma Tom Kokkonen Joni Kujansuu Anton Rusanen Chenjuan Deng Yueyun Fu Rujing Yin Xiaoxiao Li Yiqun Lu Yiliang Liu Chaofan Lian Dongsen Yang Weigang Wang Maofa Ge Yuesi Wang Douglas R.Worsnop Heikki Junninen Hong He Veli-Matti Kerminen Jun Zheng Lin Wang Jingkun Jiang Tuukka Petaja Federico Bianchi Markku Kulmala Aerosol and Haze Laboratory Beijing Advanced Innovation Center for Soft Matter Science and EngineeringBeijing University of Chemical TechnologyBeijingChina Institute for Atmospheric and Earth System Research/Physics Faculty of ScienceUniversity of HelsinkiHelsinkiFinland State Key Joint Laboratory of Environment Simulation and Pollution Control State Environmental Protection Key Laboratory of Sources and Control of Air Pollution ComplexSchool of EnvironmentTsinghua UniversityBeijingChina State Key Joint Laboratory of Environment Simulation and Pollution Control Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijingChina Department of Environmental Science&Engineering Fudan UniversityShanghaiChina State Key Laboratory for Structural Chemistry of Unstable and Stable Species Beijing National Laboratory for Molecular SciencesInstitute of ChemistryChinese Academy of SciencesBeijingChina Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control Nanjing University of Information Science&TechnologyNanjingChina State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry Institute of Atmospheric PhysicsChinese Academy of SciencesBeijingChina Aerodyne Research Inc. BillericaMassachusettsUSA Institute of Physics University of TartuTartuEstonia Joint International Research Laboratory of Atmospheric and Earth System Sciences School of Atmospheric SciencesNanjing UniversityNanjingChina

Due to profound impact on climate and human health,air quality has attracted attention from all levels of the civil *** key step in the provision of required tools for the society to tackle the complex air quality problem is to characterize it in a comprehensive manner with a long-term ***,we describe a continuous and comprehensive observation station and its accompanying state-ofthe-art instrumentation that was established to investigate the complex urban atmospheric environment in a rapidly developing Chinese *** station,located in downtown Beijing,aims to study air quality by identifying the major atmospheric pollutants and key processes determining their formation and loss mechanisms.A few hundreds of parameters are continuously measured with the state-of-the-art instruments,including trace gas concentrations,aerosol particle size distributions,and mass concentrations,covering aerosol particle chemical composition from molecules to micrometer-sized aerosol *** produced long-term,comprehensive big data with around 1�10^(11)bytes per *** this paper,we provide an overview on the facilities of the station,the instrumentation used,the workflow of continuous observations and examples of results from 2018 to 2019 and a basis for establishing a modern long-term,comprehensive atmospheric urban observation station in other megacities.

关键词： Continuous and comprehensive atmospheric observation air pollution complex photochemical smog haze new particle formation

Dflow, a Python framework for constructing cloud-native AI-for-science workflows

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arXiv 2024年

作者： Liu, Xinzijian Han, Yanbo Li, Zhuoyuan Fan, Jiahao Zhang, Chengqian Zeng, Jinzhe Shan, Yifan Yuan, Yannan Xu, Wei-Hong Liu, Yun-Pei Zhang, Yuzhi Wen, Tongqi York, Darrin M. Zhong, Zhicheng Zheng, Hang Cheng, Jun Zhang, Linfeng Wang, Han DP Technology Beijing100080 China Institute of Molecular Science and Applied Chemistry School of Chemistry Xi'an Jiaotong University Xi'An710049 China Department of Mechanical Engineering The University of Hong Kong Hong Kong School of Physics Peking University Beijing100871 China AI for Science Institute Beijing100080 China HEDPS CAPT College of Engineering Peking University Beijing100871 China Laboratory for Biomolecular Simulation Research Center for Integrative Proteomics Research Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854-8087 United States Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China IKKEM Xiamen361005 China State Key Laboratory of Physical Chemistry of Solid Surface Collaborative Innovation Center of Chemistry for Energy Materials College of Chemistry and Chemical Engineering Xiamen University Xiamen361005 China Department of Physics University of Science and Technology of China Hefei230026 China Suzhou Institute for Advanced Research University of Science and Technology of China Suzhou215123 China Institute of Artificial Intelligence Xiamen University Xiamen361005 China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing100094 China

In the AI-for-science era, scientific computing scenarios such as concurrent learning and high-throughput computing demand a new generation of infrastructure that supports scalable computing resources and automated workflow management on both cloud and high-performance supercomputers. Here we introduce Dflow, an open-source Python toolkit designed for scientists to construct workflows with simple programming interfaces. It enables complex process control and task scheduling across a distributed, heterogeneous infrastructure, leveraging containers and Kubernetes for flexibility. Dflow is highly observable and can scale to thousands of concurrent nodes per workflow, enhancing the efficiency of complex scientific computing tasks. The basic unit in Dflow, known as an Operation (OP), is reusable and independent of the underlying infrastructure or context. Dozens of workflow projects have been developed based on Dflow, spanning a wide range of projects. We anticipate that the reusability of Dflow and its components will encourage more scientists to publish their workflows and OP components. These components, in turn, can be adapted and reused in various contexts, fostering greater collaboration and innovation in the scientific community. Copyright © 2024, The Authors. All rights reserved.

关键词： Reusability

New insights into the oscillations of the nucleon electromagnetic form factors

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arXiv 2022年

作者： Yang, Qin-He Guo, Di Dai, Ling-Yun Haidenbauer, Johann Kang, Xian-Wei Meisner, Ulf-G. School of Physics and Electronics Hunan University Changsha410082 China Hunan Provincial Key Laboratory of High-Energy Scale Physics and Applications Hunan University Changsha410082 China Institute for Advanced Simulation Institut für Kernphysik Jülich Center for Hadron Physics Forschungszentrum Jülich JülichD-52425 Germany Key Laboratory of Beam Technology of the Ministry of Education College of Nuclear Science and Technology Beijing Normal University Beijing100875 China Institute of Radiation Technology Beijing Academy of Science and Technology Beijing100875 China Helmholtz Institut für Strahlen- und Kernphysik Bethe Center for Theoretical Physics Universität Bonn BonnD-53115 Germany Tbilisi State University Tbilisi0186 Georgia

The electromagnetic form factors of the proton and the neutron in the timelike region are investigated. Electron-positron annihilation into antinucleon-nucleon (N¯ N) pairs is treated in distorted wave Born approximation, including the final-state interaction in the N¯ N system. The latter is obtained by a Lippmann-Schwinger equation for N¯ N potentials derived within SU(3) chiral effective field theory. By fitting to the phase shifts and (differential) cross section data, a high quality description is achieved. With these amplitudes, the oscillations of the electromagnetic form factors of the proton and the neutron are studied. It is found that each of them can be described by two fractional oscillators. One is characterized as 'overdamped' and dominates near the threshold, while the other is 'underdamped' and plays an important role in the high-energy region. These two oscillators are essential to understand the distributions of polarized electric charges induced by hard photons for the nucleons. Copyright © 2022, The Authors. All rights reserved.

关键词： Born approximation

Resolving Nanograin Morphology and Sub-Grain Nanodomains Via Scanning Probe Acoustic Microscopy in Batio3 Ferroelectric Films for Energy Storage Applications

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SSRN

SSRN 2023年

作者： Ouyang, Jun Xue, Yinxiu Yuan, Meiling Song, Chuanqi Wang, Kun Zhao, Yuyao Cheng, Hongbo Zhu, Hanfei Liu, Chao Institute of Advanced Energy Materials and Chemistry Jinan Engineering Laboratory for Multi-Scale Functional Materials School of Chemistry and Chemical Engineering Qilu University of Technology Shandong Academy of Sciences Shandong Jinan250353 China Key Laboratory of Key Film Materials & Application for Equipment School of Material Sciences and Engineering Xiangtan University Hunan Xiangtan411105 China Key Laboratory for Liquid-Solid Structure Evolution and Processing of Materials Ministry of Education School of Materials Science and Engineering Shandong University Shandong Jinan250061 China Academic Affairs Office Civil Aviation University of China Tianjin300300 China China Tobacco Shandong Industrial Co. Ltd. Shandong Jinan250014 China

Energy storage property of a dielectric is closely tied with its nanostructure. In this study, we aimed to achieve a deep understanding of this relationship in high energy density ferroelectric ceramic films, by probing into the nanograin and sub-grain nanostructures in polycrystalline BaTiO3 films integrated on Si. Through scanning probe acoustic microscopy analyses, it was revealed that the BaTiO3 films directly grown on Pt/Ti/Si consist of large discontinuous columnar nanograins, while those grown on LaNiO3-buffered Pt/Ti/Si substrates display a continuous columnar nanograin microstructure. Furthermore, ultrafine ferroelastic domains of ~ 10 nm wide were revealed inside the grains of the buffered BaTiO3 films, while those unbuffered films showed about ~50% increase in the domain width. The dielectric properties of the BaTiO3 films, including the energy storage performance, are well correlated with their characteristic nanostructures. © 2023, The Authors. All rights reserved.

关键词： Ferroelectric films