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Micromechanical behavior of (CoCrNi) 94 Al 3 Ti 3 medium-entropy alloy

Journal of materials Research and Technology 2025年 37卷 41-47页

作者： Ming Liu Zhitong Xu Rui Liang Shanhong Wan Fuqian Yang Jinyang Jiang Department of Engineering Science Faculty of Innovation Engineering Macau University of Science and Technology Macau SAR 999078 China Fujian Provincial Key Laboratory of Terahertz Functional Devices and Intelligent Sensing School of Mechanical Engineering and Automation Fuzhou University Fuzhou Fujian 350108 China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences Lanzhou Gansu 73000 China Materials Program Department of Chemical and Materials Engineering University of Kentucky Lexington KY 40506 USA Jiangsu Key Laboratory of Construction Materials School of Materials Science and Engineering Southeast University Nanjing 211189 China

The micromechanical behavior of (CoCrNi) 94 Al 3 Ti 3 medium-entropy alloy (MEA) with and without Al 2 O 3 nanoparticles was investigated by nanoindentation, microhardness, and microscratch tests. Adding Al 2 O 3 nanoparticles in the (CoCrNi) 94 Al 3 Ti 3 MEA increases elastic modulus, hardness, brittleness, and friction coefficient. The MEAs with and without Al 2 O 3 exhibit indentation-induced pile-up, resulting in the inapplicability of the Oliver & Pharr method. The elastic modulus and indentation hardness were assessed by the work-based approach. Indentation size effect is observed for the MEA, but is absent with the addition of Al 2 O 3 nanoparticles.

关键词： Medium-entropy alloy Microhardness Microscratch Nanoindentation Micromechanical characterization

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Zinc-Doping-Induced Electronic States Modulation of Molybdenum Carbide: Expediting Rate-Determining Steps of Sulfur Conversion in Lithium-Sulfur Batteries

引用

Advanced science 2025年第0期 e2417126页

作者： Qin, Bin Li, Yanmei Wang, Qun Zhang, Si Zhang, Jinglin Wang, Bin Wang, Peijia Chen, Yuhan Yao, Weiqi Wang, Fang Key Laboratory of Magnetic Molecules and Magnetic Information Materials of Ministry of Education & School of Chemistry and Materials Science Shanxi Normal University Taiyuan030001 China Shanxi Key Laboratory of Advanced Magnetic Materials and Devices & Research Institute of Materials Science of Shanxi Normal University Taiyuan030001 China Basic Department Shanxi Agricultural University Jinzhong030801 China School of Materials Science and Engineering Harbin Institute of Technology Harbin150001 China Department of Mechanical Engineering City University of Hong Kong 999077 Hong Kong Materials Science and Engineering Program & Texas Materials Institute The University of Texas at Austin AustinTX78712 United States

Enhancing Li2S deposition and oxidation kinetics in lithium-sulfur batteries, especially the potential-limiting step under lean electrolyte, can be effectively achieved by developing conductive catalysts. In this study, by using ZnMoO4 as precursors, Zn-doped molybdenum carbide microflowers (Zn-Mo2C) composed of speared porous sheets are fabricated with a hierarchically ordered structure. Density functional theory calculations indicate that Zn doping shifts the d-band center on Mo atoms in Mo2C upward, promotes the elevation of certain antibonding orbitals in Mo─S bonds above the Fermi level, enhances d-p interaction between lithium polysulfides (LiPSs) and catalysts, weakens both S─S and Li─S bonds of LiPSs. Incorporating Zn significantly reduces the Gibbs free energy barrier for the rate-limiting step of the Li2S2 → Li2S conversion, from 0.52 eV for Mo2C to just 0.05 eV for Zn-doped Mo2C. Thus, the synthesized Zn-Mo2C demonstrates impressive bifunctional electrocatalytic performance, significantly advancing sulfur reduction and Li2S decomposition. Moreover, this modification enhances charge transfer within the Zn-Mo2C/LiPSs system, synergistically accelerating the kinetics of Li2S4 to Li2S reduction and Li2S oxidation. The Zn-Mo2C/S cathode demonstrates impressive electrochemical performance, achieves remarkable cycling stability with a minimal capacity decay of 0.021% per cycle over 1000 cycles at 5 C, underscoring its potential for high-energy applications. © 2025 The Author(s). Advanced science published by Wiley-VCH GmbH.

关键词： Gibbs free energy

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Quantitative Analysis of Sodium Metal Deposition and Interphase in Na Metal Batteries

arXiv

引用

arXiv 2023年

作者： Sayahpour, Baharak Li, Weikang Bai, Shuang Lu, Bingyu Han, Bing Chen, Yu-Ting Deysher, Grayson Parab, Saurabh Ridley, Phillip Raghavendran, Ganesh Nguyen, Long Hoang Bao Zhang, Minghao Meng, Ying Shirley Materials Science and Engineering Program University of California San DiegoCA92093 United States Department of NanoEngineering University of California San DiegoCA92093 United States Pritzker School of Molecular Engineering University of Chicago ChicagoIL60637 United States

Sodium-ion batteries exhibit significant promise as a viable alternative to current lithium-ion technologies owing to their sustainability, low cost per energy density, reliability, and safety. Despite recent advancements in cathode materials for this category of energy storage systems, the primary challenge in realizing practical applications of sodium-ion systems is the absence of an anode system with high energy density and durability. Although Na metal is the ultimate anode that can facilitate high-energy sodium-ion batteries, its use remains limited due to safety concerns and the high-capacity loss associated with the high reactivity of Na metal. In this study, titration gas chromatography is employed to accurately quantify the sodium inventory loss in ether- and carbonate-based electrolytes. Uniaxial pressure is developed as a powerful tool to control the deposition of sodium metal with dense morphology, thereby enabling high initial coulombic efficiencies. In ether-based electrolytes, the Na metal surface exhibits the presence of a uniform solid electrolyte interphase layer, primarily characterized by favorable inorganic chemical components with close-packed structures. The full cell, utilizing a controlled electroplated sodium metal in ether-based electrolyte, provides capacity retention of 91.84% after 500 cycles at 2C current rate and delivers 86 mAh/g discharge capacity at 45C current rate, suggesting the potential to enable Na metal in the next generation of sodium-ion technologies with specifications close to practical requirements. © 2023, CC BY-NC-ND.

关键词： Ethers

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Insights into Chemical and Structural Order at Planar Defects in a Functional Oxide Using Multislice Electron Ptychography

arXiv

引用

arXiv 2024年

作者： Zhu, Menglin Xu, Michael Yu, Yun Wu, Liyan Shafir, Or Gilgenbach, Colin Martin, Lane W. Grinberg, Ilya Spanier, Jonathan E. LeBeau, James M. Department of Materials Science and Engineering Massachusetts Institute of Technology CambridgeMA02139 United States Department of Mechanical Engineering and Mechanics Drexel University PhiladelphiaPA19104 United States Department of Chemistry Bar-Ilan University Ramat Gan5290002 Israel Departments of Materials Science and NanoEngineering Chemistry and Physics and Astronomy The Rice Advanced Materials Institute Rice University HoustonTX77005 United States

Switchable order parameters in ferroic materials are essential for functional electronic devices, yet disruptions of the ordering can take the form of planar boundaries or defects that exhibit distinct properties. Characterizing the structure of these boundaries is challenging due to their confined size and three-dimensional nature. Here, a chemical anti-phase boundary in the highly ordered double perovskite Pb2MgWO6 is investigated using multislice electron ptychography. The boundary is revealed to be inclined along the electron beam direction with a finite width of chemical intermixing. Additionally, regions at and near the boundary exhibit antiferroelectric-like displacements, contrasting with the predominantly paraelectric matrix. Spatial statistics and density functional theory calculations further indicate that despite their higher energy, chemical anti-phase boundaries form due to kinetic constraints during growth, with extended antiferroelectric-like distortions induced by the chemically frustrated environment in the proximity of the boundary. The three-dimensional imaging provides critical insights into the interplay between local chemistry and the polar environment, elucidating the role of anti-phase boundaries and their associated confined structural distortions and offering new opportunities for engineering ferroic thin films. Copyright © 2024, The Authors. All rights reserved.

关键词： Perovskite

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Meta-optic accelerators for object classification

Meta-optic accelerators for object classification

引用

2023 Flat Optics: Components to Systems, FLatOptics 2023 in Optica Imaging Congress - Part of Imaging and Applied Optics Congress 2023

作者： Zheng, Hanyu Liu, Quan Zhou, You Kravchenko, Ivan I. Huo, Yuankai Valentine, Jason Department of Electrical and Computer Engineering Vanderbilt University NashvilleTN37212 United States Department of Computer Science Vanderbilt University NashvilleTN37212 United States Department of Mechanical Engineering Vanderbilt University NashvilleTN37212 United States Interdisciplinary Materials Science Program Vanderbilt University NashvilleTN37212 United States Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak RidgeTN37830 United States

A meta-optic platform for accelerating object classification is demonstrated. End-to-end design is used to co-optimize the optical and digital systems resulting in high-speed classifiers that are demonstrated for hand... 详细信息

ISBN: (纸本)9781957171289

关键词： Imaging systems Machine vision Neural networks Optical components Optical neural systems Optical systems

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Gallium Oxide as Photonic Integrated Platforms in the UV-Visible Spectra

Gallium Oxide as Photonic Integrated Platforms in the UV-Vis...

引用

2023 Conference on Lasers and Electro-Optics, CLEO 2023

作者： Zhou, Jingan Zhao, Xuan Xu, Rui Zhang, Xiang Fu, Kai Li, Tao Xu, Mingfei Luo, Shisong He, Ziyi Robinson, Jacob T. Zhu, Hanyu Ajayan, Pulickel M. Zhang, Xiaodong Zhao, Yuji Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States School of Electrical Computer and Energy Engineering Arizona State University TempeAZ85287 United States Nanofabrication facility Suzhou Institute of Nano-Tech and Nano-Bionics Chinese Academy of Sciences Jiangsu Suzhou215123 China

We report the Ga2O3 as photonic integrated platforms and its nonlinear optical effects in the UV-visible spectra. A low propagation loss of 3.7 dB/cm and second-order susceptibility of x(2)=4.89xl03pm/V were obtained.... 详细信息

ISBN: (纸本)9781957171258

关键词： Gallium compounds

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Growth of Wafer-Scale Single-Crystal 2D Semiconducting Transition Metal Dichalcogenide Monolayers

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Advanced science 2024年第11期11卷 e2307839页

作者： Singh, Jitendra Astarini, Nadiya Ayu Tsai, Meng-Lin Venkatesan, Manikandan Kuo, Chi-Ching Yang, Chan-Shan Yen, Hung-Wei Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei City106335 Taiwan Department of Physics Udit Narayan Post Graduate College Padrauna Uttar Pradesh Kushinagar274304 India Department of Molecular Science and Engineering Institute of Organic and Polymeric Materials National Taipei University of Technology Taipei City106344 Taiwan Institute and Undergraduate Program of Electro-Optical Engineering National Taiwan Normal University Taipei City11677 Taiwan Department of Materials Science and Engineering National Taiwan University Taipei City106319 Taiwan

Due to extraordinary electronic and optoelectronic properties, large-scale single-crystal two-dimensional (2D) semiconducting transition metal dichalcogenide (TMD) monolayers have gained significant interest in the development of profit-making cutting-edge nano and atomic-scale devices. To explore the remarkable properties of single-crystal 2D monolayers, many strategies are proposed to achieve ultra-thin functional devices. Despite substantial attempts, the controllable growth of high-quality single-crystal 2D monolayer still needs to be improved. The quality of the 2D monolayer strongly depends on the underlying substrates primarily responsible for the formation of grain boundaries during the growth process. To restrain the grain boundaries, the epitaxial growth process plays a crucial role and becomes ideal if an appropriate single crystal substrate is selected. Therefore, this perspective focuses on the latest advances in the growth of large-scale single-crystal 2D TMD monolayers in the light of enhancing their industrial applicability. In the end, recent progress and challenges of 2D TMD materials for various potential applications are highlighted. © 2023 The Authors. Advanced science published by Wiley-VCH GmbH.

关键词： Single crystals

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A Machine Learning Framework for the Prediction of Grain Boundary Segregation in Chemically Complex Environments

arXiv

引用

arXiv 2024年

作者： Aksoy, Doruk Luo, Jian Cao, Penghui Rupert, Timothy J. Department of Materials Science and Engineering University of California IrvineCA92697 United States Department of NanoEngineering University of California La Jolla San DiegoCA92093 United States Department of Mechanical and Aerospace Engineering University of California IrvineCA92697 United States Hopkins Extreme Materials Institute Johns Hopkins University BaltimoreMD21218 United States Department of Materials Science and Engineering Johns Hopkins University BaltimoreMD21218 United States

The discovery of complex concentrated alloys has unveiled materials with diverse atomic environments, prompting the exploration of solute segregation beyond dilute alloys. However, the vast number of possible elemental interactions means a computationally prohibitive number of simulations are needed for comprehensive segregation energy spectrum analysis. Data-driven methods offer promising solutions for overcoming such limitations for modeling segregation in such chemically complex environments, and are employed in this study to understand segregation behavior of a refractory complex concentrated alloy, NbMoTaW. A flexible methodology is developed that uses composable computational modules, with different arrangements of these modules employed to obtain site availabilities at absolute zero and the corresponding density of states beyond the dilute limit, resulting in an extremely large dataset containing 10 million data points. The artificial neural network developed here can rely solely on descriptions of local atomic environments to predict behavior at the dilute limit with very small errors, while the addition of negative segregation instance classification allows any solute concentration from zero up to the equiatomic concentration for ternary or quaternary alloys to be modeled at room temperature. The machine learning model thus achieves a significant speed advantage over traditional atomistic simulations, being four orders of magnitude faster, while only experiencing a minimal reduction in accuracy. This efficiency presents a powerful tool for rapid microstructural and interfacial design in unseen domains. Scientifically, our approach reveals a transition in the segregation behavior of Mo from unfavorable in simple systems to favorable in complex environments. Additionally, increasing solute concentration was observed to cause anti-segregation sites to begin to fill, challenging conventional understanding and highlighting the complexity of segregation dynamics

关键词： Grain boundaries

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Design of Quantum Dot Color Convertors for Inkjet-Printed Optoelectronic Devices: Violet-Converted Full Color Mini-LED

引用

Advanced materials Technologies 2024年第3期9卷

作者： Lin, Chen-Te Zhuan, Yi-long Jung, Nian-Ting Hoang, Minh-Son Chen, Hsueh-Shih Ph.D. Program in Prospective Functional Materials Industry College of Engineering National Tsing Hua University Hsinchu30013 Taiwan Department of Materials Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan College of Semiconductor Research National Tsing Hua University Hsinchu30013 Taiwan Department of Chemical Engineering & Materials Science College of Engineering Yuan Ze University Taoyuan32003 Taiwan

This study presents a strategy of design and development of inkjet-printable and UV-curable quantum dot (QD) polymer-based inks and color conversion (CC) film for use in optoelectronic devices. At first, the preparation of a QD ink is focused on two key aspects, that are QD chemical compatibility and ink printability. In the hybrid organic–inorganic polymer/QDs system, it must be formulated to a well-dispersed ink, in which a dispersant additive without negative effect on QDs is introduced to enhance the QD suspension. As the optical density of final dried QD film is one of the most critical concerns in color conversion, QD concentration should be as high as possible in the ink, which increases the ink viscosity. Consequently, a trade-off between QD concentration and the ink viscosity associated with the ink-jetting temperature is considered to ensure the ink printability. Finally, the designed QD ink is printed as color conversion film on a mini-LED panel composed of two violet mini-chips to produce red and green emissions, while blue emission directly comes from a blue mini-chip. The final conversion efficiency of QDCC on mini-LED panel are between 35% and 45%, showing the promising applications in optoelectronic devices. © 2023 Wiley-VCH GmbH.

关键词： Semiconductor quantum dots

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Correlation between the Morphology of Carbon Nanofibers and the Transport Characteristics of Li-Ions in a Lib Anode Under Fast Charging Conditions

SSRN

引用

SSRN 2023年

作者： Cho, Hang In Lee, Sung Hoon Park, Chong Rae WCU Hybrid Materials Program Department of Materials Science and Engineering Research Institute of Advanced Materials Seoul National University Seoul08826 Korea Republic of

Energy storage materials for electric vehicles and energy storage systems must be able to supply high capacity quickly, which requires efficient Li-ion transport within the anode active material. The transport of Li ions through a battery system can lead to concentration polarization and subsequent overpotential, which can limit the electrochemical performance, especially under fast charging conditions. To overcome these limitations, it is important to control solvated Li-ion transport and design an anode material with a rational approach. One way to achieve this is by controlling the morphology of carbon nanofibers (CNFs) to create ion transport channels. A facile method for this was investigated using an immiscible polymer blend electrospinning system and interpreting a ternary phase diagram. The effects of the morphology and space characteristics of each CNF on the electrochemical performance were studied, particularly the rate capability and cycle stability under fast charging conditions. These characteristics were analyzed in terms of the transport properties of the electrochemical species in different types of ion channels. © 2023, The Authors. All rights reserved.

关键词： Electrospinning

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