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Impact of severe plastic deformation on kinetics and thermodynamics of hydrogen storage in magnesium and its alloys

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journal of Materials Science & Technology 2023年第15期146卷 221-239页

作者： Kaveh Edalati Etsuo Akiba Walter j.Botta yuri Estrin Ricardo Floriano Daniel Fruchart Thierry Grosdidier Zenji Horita jacques Huot Hai-Wen Li Huai-jun Lin Ádám Révész Michael j.Zehetbauer WPI International Institute for Carbon-Neutral Energy Research(WPI-I2CNER)Kyushu UniversityFukuokaJapan International Research Center for Hydrogen Energy Kyushu UniversityFukuokaJapan Departamento de Engenharia de Materiais Universidade Federal de São CarlosSao Carlos-SPBrazil Department of Materials Science and Engineering Monash UniversityClaytonVIC 3800Australia Department of Mechanical Engineering the University of Western AustraliaCrawleyWA 6009Australia School of Applied Sciences University of Campinas(UNICAMP)LimeiraSão PauloBrazil Institut Néel CNRS&UGA38042 GrenobleFrance jOMI-LEMAN SA 74890 FessyFrance Universitéde Lorraine Laboratory of Excellence on Design of Alloy Metals for low-mass Structures(DAMAS)MetzF-57070France Universitéde Lorraine Laboratoire d’Etude des Microstructures et de Mécanique des Matériaux(LEM3 UMR 7239)MetzF-57070France Graduate School of Engineering Kyushu Institute of TechnologyKitakyushuJapan Magnesium Research Center Kumamoto UniversityKumamotoJapan Synchrotron Light Application Center Saga UniversitySagaJapan Hydrogen Research Institute Universitédu QuébecàTrois-Rivières3351 des ForgesTrois-RivièresQC G9A 5H7Canada Hefei General Machinery Research Institute Hefei 230031China Institute of Advanced Wear&Corrosion Resistance and Functional Materials Jinan UniversityGuangzhou 510632China Department of Materials Physics Eötvös UniversityBudapestH-1518P.O.B.32BudapestHungary Faculty of Physics University of ViennaBoltzmanngasse 5A-1090 WienAustria

Magnesium and its alloys are the most investigated materials for solid-state hydrogen storage in the form of metal hydrides,but there are still unresolved problems with the kinetics and thermodynamics of hydrogenation and dehydrogenation of this group of *** plastic deformation(SPD)methods,such as equal-channel angular pressing(ECAP),high-pressure torsion(HPT),intensive rolling,and fast forging,have been widely used to enhance the activation,air resistance,and hydrogenation/dehydrogenation kinetics of Mg-based hydrogen storage materials by introducing ultrafine/nanoscale grains and crystal lattice *** severely deformed materials,particularly in the presence of alloying additives or second-phase nanoparticles,can show not only fast hydrogen absorption/desorption kinetics but also good cycling *** was shown that some materials that are apparently inert to hydrogen can absorb hydrogen after SPD ***,the SPD methods were effectively used for hydrogen binding-energy engineering and synthesizing new magnesium alloys with low thermodynamic stability for reversible low/room-temperature hydrogen storage,such as nanoglasses,high-entropy alloys,and metastable phases including the high-pressureγ-MgH2 *** work reviews recent advances in the development of Mg-based hydrogen storage materials by SPD processing and discusses their potential in future applications.

关键词： Severe plastic deformation(SPD) Nanostructured materials Ultrafine-grained(UFG)materials Magnesium hydride(MgH_(2)) Magnesium-based alloys Hydrogen absorption Hydrogenation kinetics Hydrogen storage thermodynamics

A SURVEY OF THE HOLARCTIC LINYPHIIDAE (ARANEAE),A REVIEW OF THE ERIGONINE GENUS ZORNELLA jACKSON, 1932

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动物分类学报 2007年第1期32卷 21-34页

作者： yuri M. Marusik Donald j. Buckle Seppo Koponen Institute for Biological Problems of the North Portovaya Str. 18 Magadan 685000 Russia 620 Albert Avenue Saskatoon Saskatchewan S7N 1G7 Canada Zoological Museum University of Turku FI-20014 Turku Finland

The Holarctic erigonid genus Zornella has been surveyed. Four species are recognized in this genus, two Palaearctic: ***(***,11879) & *** ***., and two Nearctic: ***(Banks, 1906) & *** Chamberlin,*** is demonstrated that neither nearctic species is conspecific with *** as was thought by Holm and other authors. *** ***. is described from northeastern Siberia. All of the species are illustrated and their distributions mapped.

关键词： Spiders Araneae Erigoninae Holarctic Zornella new species redescription

Integration of machine learning with phase field method to model the electromigration induced Cu_(6)Sn_(5) IMC growth at anode side Cu/Sn interface

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journal of Materials Science & Technology 2020年第24期59卷 203-219页

作者： Anil Kunwar yuri Amorim Coutinho johan Hektor Haitao Ma Nele Moelans Department of Materials Engineering KU LeuvenKasteelpark Arenberg 44LeuvenB-3001Belgium LUNARC-Centre for Scientific and Technical Computing at Lund University Lund UniversityP.O.Box 118SE-22100LundSweden Deutsches Elektronen-Synchrotron(DESY) Notkestrasse 85Hamburg22607Germany School of Materials Science and Engineering Dalian University of TechnologyDalian116024China

Currently,in the era of big data and 5G communication technology,electromigration has become a serious reliability issue for the miniaturized solder joints used in microelectronic *** the effective charge number(Z*)is considered as the driving force for electromigration,the lack of accurate experimental values for Z* poses severe challenges for the simulation-aided design of electronic *** this work,a data-driven framework is developed to predict the Z* values of Cu and Sn species at the anode based LIQUID,Cu_(6)Sn_(5) intermetallic compound(IMC)and FCC phases for the binary Cu-Sn system undergoing electromigration at 523.15 *** growth rate constants(kem)of the anode IMC at several magnitudes of applied low current density(j=1×10^6 to 10×10^6A/m^2)are extracted from simulations based on a 1D multi-phase field model.A neural network employing Z* and j as input features,whereas utilizing these computed kemdata as the expected output is *** results of the neural network analysis are optimized with experimental growth rate constants to estimate the effective charge *** a negligible increase in temperature at low j values,effective charge numbers of all phases are found to increase with current density and the increase is much more pronounced for the IMC *** predicted values of effective charge numbers Z* are then utilized in a 2D simulation to observe the anode IMC grain growth and electrical resistance changes in the multi-phase *** the work consists of the aspects of experiments,theory,computation,and machine learning,it can be called the four paradigms approach for the study of electromigration in Pb-free *** a combination of multiple paradigms of materials design can be problem-solving for any future research scenario that is marked by uncertainties regarding the determination of material properties.

关键词： Phase field method Artificial neural network Intemetallic compound Current density Synchrotron radiation

Phase-change composite filled natural nanotubes in hydrogel promote wound healing under photothermally triggered drug release

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Bioactive Materials 2023年第3期21卷 284-298页

作者： jing-jing Ye Long-Fei Li Rui-Nan Hao Min Gong Tong Wang jian Song Qing-Han Meng Na-Na Zhao Fu-jian Xu yuri Lvov Li-Qun Zhang jia-jia Xue Beijing Laboratory of Biomedical Materials State Key Laboratory of Organic-Inorganic CompositesBeijing University of Chemical TechnologyBeijing100029PR China College of Materials Science and Engineering Beijing University of Chemical TechnologyBeijing100029PR China Beijing Laboratory of Biomedical Materials Beijing University of Chemical TechnologyBeijing100029PR China Institute for Micromanufacturing and Biomedical Engineering Program Louisiana Tech UniversityRustonLA71272USA

It is of great importance to treat a bacterial-infected wound by a smart dressing capable of delivering antibiotics in a smart manner without causing drug *** construction of smart release nanocontainers responsive to near-infrared(NIR)laser irradiation in an on-demand and stepwise way is a promising strategy for avoiding the emergence of multidrug-resistant ***,we develop a hydrogel composite made of alginate and nanotubes with an efficient NIR-triggered release of rifampicin and outstanding antibacterial *** composite hydrogel is prepared through co-encapsulating antibacterial drug(rifampicin),NIR-absorbing dye(indocyanine green),and phase-change materials(a eutectic mixture of fatty acids)into halloysite nanotubes,followed by incorporation into alginate hydrogels,allowing the in-situ gelation at room temperature and maintaining the integrity of drug-loaded *** them,the eutectic mixture with a melting point of 39℃ serves as the biocompatible phase-change material to facilitate the NIR-triggered drug *** resultant phase-change material gated-nanotubes exhibit a prominent photothermal efficiency with multistep drug release under laser *** an in vitro assay,composite hydrogel provides good antibacterial potency against Staphylococcus aureus,one of the most prevalent microorganisms of dangerous gas gangrene.A bacterial-infected rat full-thickness wound model demonstrates that the NIR-responsive composite hydrogel inhibits the bacteria colonization and suppresses the inflammatory response caused by bacteria,promoting angiogenesis and collagen deposition to accelerate wound *** NIR-responsive composite hydrogel has a great po-tential as an antibacterial wound dressing functionalized with controlled multistep treatment of the infected sites.

关键词： Anti-bacteria Clay nanotubes Alginate hydrogel Phase-change material NIR-Triggered drug release Infected wound healing

Unlocking the out-of-plane dimension for photonic bound states in the continuum to achieve maximum optical chirality

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Light(Science & Applications) 2023年第11期12卷 2423-2433页

作者： Lucca Kühner Fedja j.Wendisch Alexander A.Antonov johannes Bürger Ludwig Hüttenhofer Leonardo de S.Menezes Stefan A.Maier Maxim V.Gorkunov yuri Kivshar Andreas Tittl Chair in Hybrid Nanosystems Nanoinstitute Munichand Center for NanoScienceFaculty of PhysicsLudwig-Maximilians-University MunichKöniginstrasse 1080539 MünchenGermany Shubnikov Institute of Crystallography FSRC“Crystallography and Photonics”Russian Academy of SciencesMoscow 119333Russia Departamento de Física Universidade Federal de Pernambuco50670-901 RecifePernambucoBrazil School of Physics and Astronomy Monash UniversityWellington RdClaytonVIC 3800Australia The Blackett Laboratory Department of PhysicsImperial College LondonLondon SW72AZUK Nonlinear Physics Centre Research School of PhysicsAustralian National UniversityCanberraACT 2601Australia

The realization of lossless metasurfaces with true chirality crucially requires the fabrication of three-dimensional structures,constraining experimental feasibility and hampering practical *** though the threedimensional assembly of metallic nanostructures has been demonstrated previously,the resulting plasmonic resonances suffer from high intrinsic and radiative *** concept of photonic bound states in the continuum(BICs)is instrumental for tailoring radiative losses in diverse geometries,especially when implemented using lossless dielectrics,but applications have so far been limited to planar ***,we introduce a novel nanofabrication approach to unlock the height of individual resonators within all-dielectric metasurfaces as an accessible parameter for the efficient control of resonance features and nanophotonic *** particular,we realize out-of-plane symmetry breaking in quasi-BIC metasurfaces and leverage this design degree of freedom to demonstrate an optical all-dielectric quasi-BIC metasurface with maximum intrinsic chirality that responds selectively to light of a particular circular polarization depending on the structural *** experimental results not only open a new paradigm for all-dielectric BICs and chiral nanophotonics,but also promise advances in the realization of efficient generation of optical angular momentum,holographic metasurfaces,and parity-time symmetry-broken optical systems.

关键词： dielectric symmetry realization

In Silico Evaluation of the Potential Interference of Boceprevir, Calpain Inhibitor II, Calpain Inhibitor XII, and GC376 in the Binding of SARS-CoV-2 Spike Protein to Human Nanobody Nb20

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Open journal of Biophysics 2023年第3期13卷 35-49页

作者： yuri Alves de Oliveira Só Marcelo Lopes Pereira junior Wiliam Ferreira Giozza Rafael Timóteo de Sousa junior Ricardo Gargano Luiz Antônio Ribeiro júnior Institute of Physics University of Brasília Brasília Brazil Department of Electrical Engineering University of Brasília Brasília Brazil

Virtual screening can be a helpful approach to propose treatments for COVID-19 by developing inhibitors for blocking the attachment of the virus to human cells. This study uses molecular docking, recovery time and dynamics to analyze if potential inhibitors of main protease (Mpro) of SARS-CoV-2 can interfere in the attachment of nanobodies, specifically Nb20, in the receptor binding domain (RBD) of SARS-CoV-2. The potential inhibitors are four compounds previously identified in a fluorescence resonance energy transfer (FRET)-based enzymatic assay for the SARS-CoV-2 Mpro: Boceprevir, Calpain Inhibitor II, Calpain Inhibitor XII, and GC376. The findings reveal that Boceprevir has the higher affinity with the RBD/Nb20 complex, followed by Calpain Inhibitor XII, GC376 and Calpain Inhibitor II. The recovery time indicates that the RBD/Nb20 complex needs a relatively short time to return to what it was before the presence of the ligands. For the RMSD the Boceprevir and Calpain Inhibitor II have the shortest interaction times, while Calpain Inhibitor XII shows slightly more interaction, but with significant pose fluctuations. On the other hand, GC376 remains stably bound for a longer duration compared to the other compounds, suggesting that they can potentially interfere with the neutralization process of Nb20.

关键词： SARS-CoV-2 Main protease Mpro Boceprevir Calpain Inhibitor II Calpain Inhibitor XII GC376 Nanobody Nb20 In Silico

Optical properties and phase-matching in LiInS2

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Chinese Optics Letters 2003年第4期1卷 237-240页

作者：黄金哲任德明胡孝勇曲彦臣 yuri Andreev Pavel Geiko Anna Shaiduko Sergey Grechin Institute of Opto-Electronics Harbin Institute of TechnologyHarbin 150001 Institute of Optical Monitoring SB RAS Tomsk 634055 Russia SRIRL Bauman Moscow State Technical University Moscow 107005 Russia

Investigation results on linear and non-linear optical properties, damage threshold and potential efficiencies of biaxial negative LiInS2 crystal are represented. It shows that the crystal has phase-matching and group-velocity matching in wide spectral range for second harmonic, sum- and difference-frequency generation of visible, near and middle IR lasers. The possibilities of designing middle IR optical parametric oscillator (OPO) pumped by Nd:YAG and dye lasers and specially possibility of frequency conversion with 3 um range femtosecond erbium lasers are given.

关键词： Crystals Optical frequency conversion Optically pumped lasers

Quantitation of Genetox Impurities Using a Surrogate Standard Approach

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journal of Analytical Sciences, Methods and Instrumentation 2013年第3期3卷 167-172页

作者： Heather Wang Regina Nardi yuri Bereznitski Roy Helmy David j. Waterhouse Analytical Chemistry Merck Research Laboratories Merck Sharp & Dohme Corp. Rahway USA.

With the ever increasing complexity of active pharmaceutical ingredient (API) preparations, more potential genotoxic impurities (PGI’s) are being observed. It is thus necessary to determine if these PGI’s are present in the final API’s, and if they are present, to ensure the levels are acceptable for any clinical uses. For PGI’s that have authentic standards available, quantitation can be accomplished in a straightforward manner. However, for PGI’s that are expected to form through rearrangements or side reactions, authentic standards may not be readily available, significantly complicating the analysis. In this study we describe a surrogate standard approach for quantifying PGI’s that allows for relative response factor calculations of PGI species utilizing both gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS).

关键词： Potential Genotoxic Impurity (PGI) Active Pharmaceutical Ingredient (API) Mass Spectrometry Surrogate Standard Analyte Relative Response Factor (RRF)

A candidate of the Induan-Olenekian boundary stratotype in the Tethyan region

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Science China Earth Sciences 2003年第11期46卷 1182-1200页

作者：童金南 yuri D.Zakharov Michael j.Orchard 殷鸿福 Hans j.Hansen Faculty of Earth Science China University of Geosciences Wuhan 430074 China Far Eastern Geological Institute Russian Academy of Sciences Vladivostok 690022Russia Geological Survey of Canada 101-605 Robson Street Vancouver B. C. V6B 5J3 Canada Geological Institute Copenhagen University Oster Voldgade 10 DK-1350 CopenhagenDenmark

The Olenekian Stage of the Lower Triassic is named from the Boreal Realm, but the stage has never been properly defined, nor has it been applied in the low-latitude Tethyan Realm, with exception of North Caucasus and Mangyshlak. This paper proposes a stratotype for the In-duan-Olenekian boundary in the low-latitude Tethyan Realm. South China is one of the main re-gions in the Tethyan Realm with well-developed Lower Triassic sequences and abundant fossils. According to the basic stratigraphic records and various accumulated data, we believe that the West Pingdingshan Section in Chaohu, Anhui Province is one of the best sequences to define the Induan-Olenekian boundary. The first appearance datum (FAD) of conodont Neospathodus waageni is the preferred index to define the boundary. This datum lies 26 cm below the FAD of the ammon-oids Flemingites and Euflemingites, and is located slightly prior to the top of the second Triassic normal magnetozone, and the peak of the first Triassic positive excursion of carbon isotope d 13C.

关键词： proposal, GSSP, Induan-Olenekian boundary, Lower Triassic, Chaohu of China.