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International Journal of Ceramic engineering and science 2020年第2期2卷 83-91页

作者： Kikuchi, Masanori Arioka, Yuki Tafu, Masamoto Irie, Mitsuteru Bioceramics Group National Institute for Materials Science Tsukuba Japan Master's Program in Life Science Innovation University of Tsukuba Tsukuba Japan Department of Applied Chemistry and Chemical Engineering Toyama College National Institute of Technology Toyama Japan Faculty of Engineering University of Miyazaki Miyazaki Japan

Changes in fluoride removal ability of chicken bone char (CBC) were investigated by both remained amounts of carbon including organic substances and crystallite size of hydroxyapatite in the CBC. Carbon contents in CBC were controlled by heating time at 600°C. Although temperature for crystal-grain growth for HAp, 650°C, was higher than 600°C, crystallite size of HAp in CBC increased with heating time. Fluoride ion removal ability positively related to the amount of remaining carbon and negatively related to the square of crystallite size, as an index of surface area, of HAp. These results suggested that fluoride ion removal from water by CBC is not only by ion exchange and/or dissolution-precipitation process, but also by adsorption by carbon and/or temporal capture of fluoride ion by microstructure of carbonate in CBC before immobilize it in apatite structure. © 2019 The Authors. International Journal of Ceramic engineering & science published by Wiley Periodicals, Inc. on behalf of American Ceramic Society.

关键词： Crystallite size

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Machine learning moment tensor potential for modeling dislocation and fracture in L10−TiAl and D019−Ti3Al alloys

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Physical Review materials 2023年第10期7卷 103602-103602页

作者： Ji Qi Z. H. Aitken Qingxiang Pei Anne Marie Z. Tan Yunxing Zuo M. H. Jhon S. S. Quek T. Wen Zhaoxuan Wu Shyue Ping Ong Materials Science and Engineering Program University of California San Diego 9500 Gilman Dr Mail Code 0448 La Jolla California 92093-0448 USA Institute of High Performance Computing (IHPC) Agency for Science Technology and Research (A*STAR) 1 Fusionopolis Way Connexis #16-16 Singapore 138632 Republic of Singapore Department of NanoEngineering University of California San Diego 9500 Gilman Dr Mail Code 0448 La Jolla California 92093-0448 USA Department of Mechanical Engineering The University of Hong Kong Hong Kong SAR China Department of Materials Science and Engineering City University of Hong Kong Hong Kong SAR China Hong Kong Institute for Advanced Study City University of Hong Kong Hong Kong SAR China

Dual-phase γ-TiAl and α2−Ti3Al alloys exhibit high strength and creep resistance at high temperatures. However, they suffer from low tensile ductility and fracture toughness at room temperature. Experimental studies show unusual plastic behavior associated with ordinary and superdislocations, making it necessary to gain a detailed understanding on their core properties in individual phases and at the two-phase interfaces. Unfortunately, extended superdislocation cores are widely dissociated beyond the length scales practical for routine first-principles density-functional theory (DFT) calculations, while extant interatomic potentials are not quantitatively accurate to reveal mechanistic origins of the unusual core-related behavior in either phases. Here, we develop a highly accurate moment tensor potential (MTP) for the binary Ti-Al alloy system using a DFT dataset covering a broad range of intermetallic and solid solution structures. The optimized MTP is rigorously benchmarked against both previous and new DFT calculations, and unlike existing potentials, is shown to possess outstanding accuracy in nearly all tested mechanical properties, including lattice parameters, elastic constants, surface energies, and generalized stacking fault energies (GSFE) in both phases. The utility of the MTP is further demonstrated by producing dislocation core structures largely consistent with expectations from DFT-GSFE and experimental observations. The new MTP opens the path to realistic modeling and simulations of bulk lattice and defect properties relevant to the plastic deformation and fracture processes in γ-TiAl and α2−Ti3Al dual-phase alloys.

关键词： Interatomic & molecular potentials Alloys Machine learning

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Micromechanical Origin of Heat Transfer to Granular Flow

arXiv

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arXiv 2023年

作者： Zhang, Xintong Adapa, Sarath Feng, Tianshi Zeng, Jian Chung, Ka Man Ho, Clifford Albrecht, Kevin Chen, Renkun Department of Mechanical and Aerospace Engineering University of California San Diego La Jolla CA92093 United States Program in Materials Science and Engineering University of California San Diego La Jolla CA92093 United States Concentrating Solar Technologies Department Sandia National Laboratories 1515 Eubank Blvd. SE AlbuquerqueNM87123 United States

Heat transfer across a granular flow is comprised of two resistances in series: near the wall and within the bulk particle bed, neither of which is well understood due to the lack of experimental probes to separate their respective contribution. Here, we use a frequency modulated photothermal technique to separately quantify the thermal resistances in the near-wall and the bulk bed regions of particles in flowing states. Compared to the stationary state, the flowing leads to a higher near-wall resistance and a lower thermal conductivity of bulk beds. Coupled with discrete element method simulation, we show that the near-wall resistance can be explained by particle diffusion in granular flows. Copyright © 2023, The Authors. All rights reserved.

关键词： Heat resistance

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Coherent Acoustic Phonons in Bi2Se3 Ultrathin Films Probed by Femtosecond, Optical Pump-Probe Spectroscopy

Coherent Acoustic Phonons in Bi2Se3 Ultrathin Films Probed b...

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CLEO: Fundamental science, CLEO:FS 2024 - Part of Conference on Lasers and Electro-Optics, CLEO 2024

作者： Cheng, Jing Niherysh, Kiryl A. Francis, Peter Chakraborty, Debamitra Lombardi, Floriana Erts, Donats Prischepa, Serghej L. Laszcz, Adam Komissarov, Ivan V. Sobolewski, Roman Materials Science Graduate Program University of Rochester RochesterNY14627 United States Laboratory for Laser Energetics University of Rochester RochesterNY14623-1299 United States Department of Microtechnology and Nanoscience Chalmers University of Technology Gothenburg Sweden Institute of Chemical Physics University of Latvia Riga Latvia Department of Electrical and Computer Engineering University of Rochester RochesterNY14627 United States Dipartimento di Fisica "E.R. Caianiello" Università degli Studi di Salerno Sa FiscianoI-84084 Italy Lukasiewicz Research Network Institute of Microelectronics and Photonics WarszawaPL-02668 Poland

ISBN: (纸本)9781957171395

The dynamics of coherent acoustic phonons in the Bi2Se3 layered crystal system are investigated. The findings reveal that the frequency evolution of breathing modes with the number of the material quintuple layers and the dispersion relation both can be explained by a modified chain model with a nonuniform coupling force. © Optica Publishing Group 2024, © 2024 The Author(s)

关键词： Ultrathin films

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Injectable cross-linked hyaluronic acid hydrogels with epigallocatechin gallate loading as vitreous substitutes

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International Journal of Biological Macromolecules 2024年第Part1期275卷 133467页

作者： Chen, Huai-An Tai, Yi-Ning Hsieh, Erh-Hsuan Thacker, Minal Lin, I-Chan Tseng, Ching-Li Lin, Feng-Huei Graduate Institute of Biomedical Materials and Tissue Engineering College of Biomedical Engineering Taipei Medical University Shuang-Ho Campus New Taipei City Taiwan Institute of Biomedical Engineering College of Medicine & College of Engineering National Taiwan University Taipei City Taiwan 17W Hong Kong Science Park Hong Kong Department of Ophthalmology Wan Fang Hospital Taipei Medical University Taipei City Taiwan Department of Ophthalmology School of Medicine College of Medicine Taipei Medical University Taipei City Taiwan International Ph. D. Program in Biomedical Engineering College of Biomedical Engineering Taipei Medical University Shuang-Ho Campus New Taipei City Taiwan Research Center of Biomedical Device College of Biomedical Engineering Taipei Medical University Taipei City Taiwan International Ph. D. Program in Cell Therapy and Regenerative Medicine College of Medicine Taipei Medical University Taipei City Taiwan National Health Research Institutes Miaoli County Taiwan

Hyaluronic acid (HA) serves as a vitreous substitute owing to its ability to mimic the physical functions of native vitreous humor. However, pure HA hydrogels alone do not provide sufficient protection against potential inflammatory risks following vitrectomy. In this study, HA was crosslinked with 1,4-butanediol diglycidyl ether (BDDE) to form HA hydrogels (HB). Subsequently, the anti-inflammatory agent epigallocatechin gallate (EGCG) was added to the hydrogel (HBE) for ophthalmic applications as a vitreous substitute. The characterization results indicated the successful preparation of HB with transparency, refractive index, and osmolality similar to those of native vitreous humor, and with good injectability. The anti-inflammatory ability of HBE was also confirmed by the reduced expression of inflammatory genes in retinal pigment epithelial cells treated with HBE compared with those treated with HB. In a New Zealand white rabbit model undergoing vitreous substitution treatment, HBE 50 (EGCG 50 μM addition) exhibited positive results at 28 days post-surgery. These outcomes included restored intraocular pressure, improved electroretinogram responses, minimal increase in corneal thickness, and no inflammation during histological examination. This study demonstrated the potential of an injectable HA-BDDE cross-linked hydrogel containing EGCG as a vitreous substitute for vitrectomy applications, offering prolonged degradation time and anti-inflammatory effects postoperatively. © 2024 The Authors

关键词： Hyaluronic acid

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Interfacial Modification to Anomalously Facilitate Thermal Transport Through Cathode-Separator Composite in Lithium-Ion Batteries

SSRN

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SSRN 2022年

作者： He, Jinlong Xian, Weikang Tao, Lei Corrigan, Patrick Li, Ying Department of Mechanical Engineering University of Connecticut StorrsCT06269 United States Department of Mechanical Engineering Polymer Program Institute of Materials Science University of Connecticut StorrsCT06269 United States Department of Chemistry University of Connecticut StorrsCT06269 United States

Adopting the self-assembled monolayers (SAMs) approach, various organic molecules were selected as the heat controllers to modulate the interfacial thermal conductance (ITC) between the cathode, lithium cobalt oxide (LCO), and the separator, polyethylene (PE). Silane-based SAMs molecules with different groups, including -NH 2 , -SH, and -CH 3 , were assembled into the LCO-PE composite’s interphase. Through molecular dynamics (MD) simulations, our results demonstrate SAMs molecules-decorated LCO-PE nanocomposites give a notably improved interfacial heat transfer but are of different magnitude. Such difference mainly results from the different non-bonded interactions and compatibility between SAMs molecules and PE. Of the three SAMs molecules, the assembled 3-aminopropyl trimethoxysilane (APTMS) featuring –NH 2 groups improves the ITC the most, about 303.29% in comparison with the pristine interface. Furthermore, these findings help elucidate the underlying mechanisms of how SAMs molecules improve heat transfer across the LCO-PE interphase. Specifically, such enhancement is greatly attributed to the unique SAMs molecules, which build the new heat transfer pathways between LCO and PE, straighten SAMs molecules’ morphology, remove the discontinuities in the temperature field, develop the strong non-bonded interactions between SAMs molecules and PE, and strengthen the coupling vibration of two materials. © 2022, The Authors. All rights reserved.

关键词： Molecular dynamics

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General framework for the mechanical response of metallic glasses during strain-rate-dependent uniaxial compression

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Physical Review materials 2023年第10期7卷 105604-105604页

作者： Weiwei Jin Amit Datye Udo D. Schwarz Mark D. Shattuck Corey S. O'Hern Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA Department of Chemical and Environmental Engineering Yale University New Haven Connecticut 06520 USA Benjamin Levich Institute and Physics Department The City College of New York New York New York 10031 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Graduate Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA

Experimental data on compressive strength σmax versus strain rate ɛ̇eng for metallic glasses undergoing uniaxial compression show varying strain rate sensitivity. For some metallic glasses, σmax decreases with increasing ɛ̇eng, while for others, σmax increases with increasing ɛ̇eng, and for certain alloys σmax versus ɛ̇eng is nonmonotonic. To understand their strain rate sensitivity, we conduct molecular dynamics simulations of metallic glasses undergoing uniaxial compression at finite strain rates and coupled to heat baths with a range of temperatures T0 and damping parameters b. In the T0→0 and b→0 limits, we find that the compressive strength σmax versus temperature T obeys a “chevron-shaped” scaling relation. In the low-strain-rate regime, σmax decreases linearly with increasing T, whereas σmax grows as a power law with decreasing T in the high-strain-rate regime. For T0>0, σmax(T) deviates from the scaling curve at low strain rates, but σmax(T) rejoins the scaling curve as the strain rate increases. Enhanced dissipation reduces compression-induced heating, which causes σmax(T) to deviate from the b→0 scaling behavior for intermediate strain rates, but σmax(T) converges to the high-strain-rate power-law scaling behavior at sufficiently high strain rates. Determining σmax(T) as a function of b and T0 provides a general framework for explaining the strain rate sensitivity of metallic glasses under compression.

关键词： Compressive strength Mechanical deformation Amorphous materials Metallic glasses Molecular dynamics

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Conductive polymers for stretchable supercapacitors

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Nano Research 2019年第9期12卷 1978-1987页

作者： Yaqun Wang Yu Ding Xuelin Guo Guihua Yu Country College of Electrical Engineering and Automation Shandong University of Science and TechnologyQingdao 266590China Materials Science and Engineering Program and Department of Mechanical Engineering The University of Texas at AustinTX 78712USA

Stretchable energy storage devices,maintaining the capability of steady operation under large mechanical strain,have become increasing more important with the development of stretchable electronic *** supercapacitors(SSCs),with high power density,modest energy density,and superior mechanical properties are regarded as one of the most promising power supplies to stretchable electronic *** polymers,such as polyaniline(PANI),polypyrrole(PPy),polythiophene(PTh)and poly(3,4-ehtylenedioxythiophene)(PEDOT),are among the well-studied electroactive materials for the construction of SSCs because of their high specific theoretical capacity,excellent electrochemical activity,light weight,and high *** effort has been devoted to developing stretchable,conductive polymer-based SSCs with different device structures,such as sandwich-type and fiber-shaped type *** review summarizes the material and structural design for con ductive polymer-based SSCs and discusses the challenge and importa nt di recti ons in this emergi ng field.

关键词： conductive polymer stretchable supercapacitor pseudocapacitive energy storage

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Tuning the composition of highly stable mixed-metal MOFs by microwave-assisted hydrothermal method for ultra-high selective and simultaneous capture of CO2 and H2S

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Chemical engineering Journal 2024年 497卷

作者： Nguyen, Manh B. Nguyen, Linh Ho Thuy Lai, Hoa Thi Doan, Huan V. Tran, Ngoc Quang Mai, Ngoc Xuan Dat Tran, Lam Dai Krisbiantoro, Philip Anggo Wu, Kevin C.-W. Doan, Tan Le Hoang Institute of Chemistry Vietnam Academy of Science and Technology 18 Hoang Quoc Viet Street Cau Giay Ha Noi Viet Nam Vietnam Academy of Science and Technology 18 Hoang Quoc Viet Street Cau Giay Hanoi Viet Nam Vietnam National University-Ho Chi Minh City Ho Chi Minh City Viet Nam University of Health Science Ho Chi Minh City Viet Nam Center for Innovative Materials and Architectures Ho Chi Minh City Viet Nam Research School of Chemistry The Australian National University CanberraAT2601 Australia Vietnam Academy of Science and Technology 18 Hoang Quoc Viet Cau Giay Hanoi Viet Nam Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei11529 Taiwan International Graduate Program of Molecular Science and Technology National Taiwan University Taipei10617 Taiwan Department of Chemical Engineering National Taiwan University Taipei10617 Taiwan Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan Chung-Li Taiwan

In the present study, water-stable bimetallic M−Cu−BTC−II (M=Mg, Fe, Ni, Co, Zn, Mn, and Zr;II=isopropanol and imidazole) was synthesized via the microwave-assisted hydrothermal method without the use of any hazardous organic solvents, and the material was used as an adsorbent for CO2 and H2S gases under ambient conditions, i.e., 25 °C and 1 atm. While all adsorbents possessed the capability to adsorb both CO2 and H2S gases under ambient conditions, Ni-Cu-BTC-II was the best adsorbent in terms of adsorption capacity, i.e., 5.91 and 5.84 mmol g−1 for CO2 and H2S, respectively, which is higher than that of most of the previously reported materials, and stable for at least 10 cycles for CO2 adsorption. The high adsorption capacity of Ni-Cu-BTC-II is primarily attributed to the high specific surface area (1877 m2 g−1), large pore volume (0.607 cm3 g−1), appropriate sizes of the tetrahedral (5.1 Å) and square channel (9.0 Å) cages among M−Cu−BTC−II. The mechanistic study revealed that the process of absorbing CO2 and H2S gases begins with electrostatic interactions, which play an important role in the absorption of CO2 and H2S. For the H2S adsorption process, in addition to electrostatic interactions, the chemical bonding between M ions (Cu2+ and Ni2+) and S atoms in H2S also significantly contributes to the absorption capacity of H2S. © 2024 Elsevier B.V.

关键词： Carbon dioxide

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Scalable High-Areal-Capacity Li-S Batteries Enabled by Sandwich-Structured Hierarchically Porous Membranes with Intrinsic Polysulfide Adsorption

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Nano Letters 2020年第9期20卷 6922-6929页

作者： Li, Xiangcun Zhang, Yue Wang, Shuting Liu, Yang Ding, Yu He, Gaohong Jiang, Xiaobin Xiao, Wu Yu, Guihua State Key Laboratory of Fine Chemicals Chemical Engineering Department Dalian University of Technology Dalian 116024 China Materials Science and Engineering Program Texas Materials Institute University of Texas at Austin Austin 78712 TX United States

The key to realizing practical applications of Li-S batteries lies in scalable fabrication of cathode materials with high sulfur-loading and strong binding of lithium polysulfides (LiPSs). We report a scalable CeO2-CNT@C porous membrane with a large porosity of 90%. Introducing CNTs is critical to increase the porosity and construct porous networks with CNTs as the skeleton and CeO2-doped carbon as the shell. The macropores can improve the transport of Li+ and electrolyte, while the porous networks possess high polysulfide-adsorbing and electron-transferring ability. The CeO2-CNT@C membrane can serve as an Al foil-free cathode and an interlayer for Li-S batteries. Moreover, CeO2 can immobilize LiPSs and can alleviate its shuttle effect. The Li-S batteries with a sulfur loading of 6.2 mg cm-2 deliver a capacity of 847 mA h g-1 after 100 cycles, showing a high areal capacity of 5.25 mA h cm-2 at a low electrolyte/sulfur ratio of 5.2 μL mg-1. © 2020 American Chemical Society.

关键词： CeO2 Li-S batteries Membrane Phase inversion Porous materials

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