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Light-harvesting properties of photocatalyst supports-no photon left behind

npj Computational materials 2024年第1期10卷 703-713页

作者： Athanasios A.Tountas Anselm Dreher Wenjie Zhou Abhinav Mohan Nazir P.Kherani Geoffrey A.Ozin Mohini M.Sain University of Toronto Department of Chemical Engineering and Applied ChemistryTorontoONCanada Karlsruhe Institute of Technology Institute for Micro Process Engineering(IMVT)KarlsruheGermany California Institute of Technology Department of Mechanical and Civil EngineeringPasadenaCA91106USA University of Toronto Department of Mechanical and Industrial Engineering TorontoTorontoONCanada University of Toronto Department of Materials Science and EngineeringTorontoONCanada University of Toronto Department of ChemistryTorontoONCanada

In this work,we set out to elucidate the light-harvesting properties of various random and ordered photocatalyst supports(PSs)with different macropore *** accomplish this,we propose two studies of increasing relevance,enabled by computed tomography(CT)reconstructions and raytracing COMSOL Multiphysics simulations:(a)a 360-degree light release study approximating a PS situated within a compound parabolic concentrator(CPC)or cylindrical LED reactor with open ends;and(b)the same systemas before but with closed *** ordered geometry is of interest,as it can be 3D printed at scale with a tailored morphology and porosity,and it can potentially be refined using machine learning models to optimize its light-harvesting *** will be shown,the local volumetric light absorption(LVLA)data suggests that an ordered PSwith amore open pore interior and a smaller pore exterior would begin to approach the more isophotonic light-harvesting properties of random PSs.

关键词： properties catalyst ordered

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Intermittent oxidation kinetics and metal/oxide interfacial undulation

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Physical Review B 2024年第8期110卷 085402-085402页

作者： Dongxiang Wu Xianhu Sun Judith C. Yang Guangwen Zhou Department of Mechanical Engineering & Materials Science and Engineering Program Department of Chemical and Petroleum Engineering

The phenomenon of oxygen adsorption induced surface restructuring is widespread across various metal-oxygen systems, yet its impact on initiating bulk oxide formation remains largely unexplored. Through in situ atomic-resolution electron microscopy observations of surface oxidation of Cu(110) and Cu85Au15(110), we unveil intermittent oxide-film growth modulated by oxygen-induced surface restructuring. This modulation is evidenced by repeated pinning of the Cu2O growth front at isolated Cu columns of the c(6×2)-O reconstruction, owing to required long-range diffusion of Cu and O atoms to the Cu2O growth front. We reveal that Cu vacancies, generated at the Cu2O growth front, are injected into the Cu2O/Cu interface, inducing hill and valley undulation of the Cu2O film. In contrast, atomic vacancies produced during the Cu85Au15(110) oxidation preferentially migrate into interfaces between Au-rich and Au-poor regions in the bulk, resulting in a flat and adherent Cu2O film. These findings demonstrate the critical role of oxygen-induced surface restructuring in modulating oxide film growth kinetics and the manipulability of the fate of injected vacancies by alloying, thereby offering insights applicable to a broader range of metal-oxygen systems for fine-tuning oxidation kinetics and enhancing oxide/metal interfacial adhesion.

关键词： Surface & interfacial phenomena Surface reconstruction Surface growth Density functional theory Transmission electron microscopy

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Improving thermal stability and creep resistance by Sc addition in near-αhigh-temperature titanium alloy

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Journal of materials science & Technology 2024年第16期183卷 1-11页

作者： Xiuyang Zhong Tongsheng Deng Wenlong Xiao Xiaochun Liu Zhi Liu Yucheng Yang Olanrewaju A.Ojo Faculty of Materials Metallurgy and Chemistry Jiangxi University of Science and TechnologyGanzhou 341000China School of Materials Science and Engineering Beihang UniversityBeijing 100191China Institute of Metals College of Materials Science and EngineeringChangsha University of Science&TechnologyChangsha 410004China Department of Mechanical Engineering University of ManitobaWinnipegMB R3T 5V6Canada

High-temperature titanium alloys’thermal stability and creep resistance are significant during service in high *** study systematically investigated the thermal stability and mechanical properties of Ti-6.5A1-2.5Sn-9Zr-0.5Mo-1Nb-1W-0.3Si-xSc(x,0-0.5 wt.%)at 650°*** lamellar secondaryαphase is refined and the formation of Sc_(2)O_(3)is increased with the increasing scandium(Sc)additions,which im-proves the strength of the alloy,while excessive Sc_(2)O_(3)becomes the crack source and deteriorates the *** oxygen content in the matrix is reduced by the interaction between Sc and oxygen,in-hibiting the growth of the Ti3 Al phase and improving the thermal stability of the ***,Sc accelerates the dissolution of the residualβphase and precipitation of fine,diffusely distributed ellip-soidal silicides,which strongly prevents dislocation *** enhancement of creep resistance for the Sc-containing alloy is attributed to the refined lamellar secondaryαphases,Sc_(2)O_(3)particles,Ti3 Al phase,and silicides,especially the precipitated ***,the 0.3 Sc alloy shows optimal ther-mal stability(the plasticity loss rate 17.3%)and creep resistance(steady-state creep rate 4.4×10^(-7) s^(-1)).The investigation results provide new insights into the mechanism and thermal stability improvement in high-temperature titanium alloys modified by rare earth(RE).

关键词： Titanium alloy Creep Microstructure Silicide Scandium

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Investigating and Mitigating Failure Modes in Physics-Informed Neural Networks(PINNs)

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Communications in Computational Physics 2023年第5期33卷 1240-1269页

作者： Shamsulhaq Basir Mechanical Engineering and Materials Science Department at the University of Pittsburgh PittsburghPA 15261USA

This paper explores the difficulties in solving partial differential equations(PDEs)using physics-informed neural networks(PINNs).PINNs use physics as a regularization term in the objective ***,a drawback of this approach is the requirement for manual hyperparameter tuning,making it impractical in the absence of validation data or prior knowledge of the *** investigations of the loss landscapes and backpropagated gradients in the presence of physics reveal that existing methods produce non-convex loss landscapes that are hard to *** findings demonstrate that high-order PDEs contaminate backpropagated gradients and hinder *** address these challenges,we introduce a novel method that bypasses the calculation of high-order derivative operators and mitigates the contamination of backpropagated ***,we reduce the dimension of the search space and make learning PDEs with non-smooth solutions *** method also provides a mechanism to focus on complex regions of the ***,we present a dual unconstrained formulation based on Lagrange multiplier method to enforce equality constraints on the model’s prediction,with adaptive and independent learning rates inspired by adaptive subgradient *** apply our approach to solve various linear and non-linear PDEs.

关键词： Constrained optimization Lagrangian multiplier method Stokes equation convection equation convection-dominated convection-diffusion equation heat transfer in composite medium Lid-driven cavity problem

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TiO_(2)@C catalyzed hydrogen storage performance of Mg-Ni-Y alloy with LPSO and ternary eutectic structure

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Journal of Magnesium and Alloys 2024年第2期12卷 767-778页

作者： Wenjie Song Wenhao Ma Shuai He Wei Chen Jianghua Shen Dalin Sun Qiuming Wei Xuebin Yu College of Mechanical and Electrical Engineering Shaanxi University of Science and TechnologyXi’anShaanxi 710021China Department of Materials Science Fudan UniversityShanghai 200438China School of Aeronautics Northwestern Polytechnical UniversityXi’anShaanxi 710072China Department of Mechanical Engineering&Engineering Science the University of North Carolina at CharlotteCharlotteNorth Carolina 28223United States of America

A designed Mg_(88.7)Ni_(6.3)Y_(5)hydrogen storage alloy containing 14H type LPSO(long-period stacking ordered)and ternary eutectic structure was prepared by regulating the alloy composition and *** hydrogen storage performance of the alloy was improved by adding nano-flower-like TiO_(2)@C *** decomposition of the LPSO structure during hydrogenation led to the formation of plenty of nanocrystals which provided abundant interphase boundaries and activation *** nanoscale TiO_(2)@C catalyst was uniformly dispersed on the surface of alloy particles,and the"hydrogen overflow''effect of TiO_(2)@C accelerated the dissociation and diffusion of hydrogen on the surface of the alloy *** a result,the in-situ endogenous nanocrystals of the LPSO structure decomposition and the externally added flower-like TiO_(2)@C catalyst uniformly dispersed on the surface of the nanoparticles played a synergistic catalytic role in improving the hydrogen storage performance of the Mg-based *** the addition of the TiO_(2)@C catalyst,the beginning hydrogen desorption temperature was reduced to 200℃.Furthermore,the saturated hydrogen absorption capacity of the sample was 5.32 wt.%,and it reached 4.25 wt.%H_(2) in 1 min at 200℃and 30 bar.

关键词： Hydrogen storage Mg LPSO TiO_(2)@C Synergistic catalysis

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Design of FeSiBPCu soft magnetic alloys with good amorphous forming ability and ultra-wide crystallization window

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Journal of materials science & Technology 2023年第16期147卷 124-131页

作者： Xingdu Fan Tao Zhang Weiming Yang Junhua Luan Zengbao Jiao Hui Li Jiangsu Key Laboratory for Advanced Metallic Materials School of Materials Science and EngineeringSoutheast UniversityNanjing 211189China Institute of Massive Amorphous Metal Science China University of Mining and TechnologyXuzhou 221116China Center for Advanced Structural Materials Department of Mechanical and Biomedical EngineeringCollege of Science and EngineeringCity University of Hong KongKowloonHong KongChina Department of Mechanical Engineering The Hong Kong Polytechnic UniversityHong KongChina School of Materials Science and Engineering Shanghai UniversityShanghai 200444China

The Fe_(81.3)Si_(4)B_(13–x)PxCu_(1.7) soft magnetic alloys with high Cu and proper P elements addition were synthesized with the aim of ensuring the amorphous forming ability(AFA)while expanding the crystallization window(CW).It is found that the atomic ratio of P/Cu of∼3 is advantageous for AFA whereas a small amount of P addition promotes the precipitation ofα-Fe grains and excessive P addition induces surface crystallization behavior of the present *** Cu concentration can expand the annealing temperature(Ta)window whereas proper P addition effectively expands the annealing time(ta)*** Fe_(81.3)Si_(4)B_(13-x)PxCu_(1.7) soft magnetic alloy was successfully synthesized with a large Ta window of up to 130°C and ta window of 90 min,which is a breakthrough for nanocrystalline alloys with high saturation *** analysis reveals that the ultra-wide CW is related to the unique nucleation mechanism,that is,theα-Fe grains are precipitated attaching to the Cu or CuP clusters and enveloping the Cu clusters,resulting in the high number density ofα-Fe *** ultra-wide CW promises the potential material in flexibly choosing the annealing process according to the performance.

关键词： Nanocrystalline alloys Amorphous forming ability Crystallization window Soft magnetic properties

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Advances in doping strategies for sodium transition metal oxides cathodes:A review

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Frontiers in Energy 2024年第2期18卷 141-159页

作者： Zhijing ZHANG Haoze ZHANG Yaopeng WU Wei YAN Jiujun ZHANG Yun ZHENG Lanting QIAN Department of Chemical Engineering Waterloo Institute of NanotechnologyUniversity of WaterlooWaterloo ON N2L 3G1Canada School of Mechanical and Automotive Engineering South China University of TechnologyGuangzhou 510640China Institute of New Energy Materials Science and Engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China

The electrochemistry of cathode materials for sodium-ion batteries differs significantly from lithium-ion batteries and offers distinct ***,the progress of commercializing sodium-ion batteries is currently impeded by the inherent inefficiencies exhibited by these cathode materials,which include insufficient conductivity,slow kinetics,and substantial volume changes throughout the process of intercalation and deintercalation ***,numerous methodologies have been utilized to tackle these challenges,encompassing structural modulation,surface modification,and elemental *** paper aims to highlight fundamental principles and strategies for the development of sodium transition metal oxide ***,it emphasizes the role of various elemental doping techniques in initiating anionic redox reactions,improving cathode stability,and enhancing the operational voltage of these cathodes,aiming to provide readers with novel perspectives on the design of sodium metal oxide cathodes through the doping approach,as well as address the current obstacles that can be overcome/alleviated through these dopant strategies.

关键词： sodium-ion batteries transition metal cathode doping strategy

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Investigation of microstructural and mechanical characteristics of Al-ZrO2 composites fabricated by stir casting

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Interactions 2024年第1期245卷 1-11页

作者： Maurya, R. Kumar, V. Gautam, S. Bharti, S. Mallika, S. Department of Materials Science and Engineering NIT Hamirpur HP Hamirpur177005 India Department of Mechanical Engineering Graphic Era Deemed to be University UK Dehradun248002 India

This study investigates optimizing the mechanical characteristics of aluminium-based metal matrix composites (MMCs) using ex-stir casting technique. Al8011 alloy, though versatile, has limitations in strength, hardness, and dimensional stability. To address this, zirconia (ZrO2) was incorporated, with an average particle size of 0.25 μm and variable weight% (0.5%, 1%, and 1.5%) to enhance mechanical properties. Tensile, and hardness tests, along with SEM and XRD analyses, were conducted. The outcome reveals a significant improvement in mechanical properties with increasing zirconia content. XRD study shows the presence of ZrO2 particles, while SEM confirms and shows the distribution of reinforced particles. This work offers insights for tailoring MMC properties through controlled zirconia reinforcement, with implications for industries requiring augmented strength and wear resistance. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 2024.

关键词： Tensile strength

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Recycling of Magnesium Alloy Using the Gravity-Driven Multiple-Effect Thermal System (G-METS)

Recycling of Magnesium Alloy Using the Gravity-Driven Multip...

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Magnesium Technology Symposium held at the TMS Annual Meeting and Exhibition, 2024

作者： Mc Arthur Sehar, Daniel Telgerafchi, Armaghan Ehsani Iurkovskyi, Artem Opoku, Emmanuel Powell, Adam Materials Science and Engineering Program Department of Mechanical Engineering Worcester Polytechnic Institute WorcesterMA United States Department of Mechanical Engineering Worcester Polytechnic Institute WorcesterMA United States

ISBN: (纸本)9783031502392

MagnesiumMagnesium metal has been significantly used in commercial applications from automobiles to aluminum alloys to defense weaponry. The surge in structural usage of magnesium over the past years has been due to high strength and excellent stiffness-to-weight ratio. RecyclingRecycling magnesium scrap is a crucial aspect of the sustainability of the economy and environmental welfare. G-METS is an advanced distillationDistillation system used in the conversion of low-grade magnesium scrap into high-purityHigh-purity magnesium metal. This multiple-effect system uses the weight of magnesiumMagnesium as a compressor, to build pressure differences between each effect of the condenser-evaporator, modifying boiling points, and enabling transfer of vaporization enthalpy. This system is exceptionally efficient compared to the energy-intensive conventional distillationDistillation technique. This study compares experiments and models of one- and two-effect distillers. © The Minerals, Metals & materials Society 2024.

关键词： Magnesium alloys

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Acoustofluidic scanning fluorescence nanoscopy with a large field of view

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Microsystems & Nanoengineering 2024年第3期10卷 159-167页

作者： Geonsoo Jin Neil Upreti Joseph Rich Jianping Xia Chenglong Zhao Tony Jun Huang Thomas Lord Department of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA Department of Biomedical Engineering Duke UniversityDurhamNC 27708USA The MITRE Corporation McLeanVA 22102USA

Large-field nanoscale fluorescence imaging is invaluable for many applications,such as imaging subcellular structures,visualizing protein interactions,and high-resolution tissue ***,conventional fluorescence microscopy requires a trade-off between resolution and field of view due to the nature of the optics used to form the *** overcome this barrier,we developed an acoustofluidic scanning fluorescence nanoscope that simultaneously achieves superior resolution,a large field of view,and strong fluorescent *** acoustofluidic scanning fluorescence nanoscope utilizes the superresolution capabilities of microspheres that are controlled by a programmable acoustofluidic device for rapid fluorescence enhancement and *** acoustofluidic scanning fluorescence nanoscope resolves structures that cannot be resolved with conventional fluorescence microscopes with the same objective lens and enhances the fluorescent signal by a factor of~5 without altering the field of view of the *** improved resolution realized with enhanced fluorescent signals and the large field of view achieved via acoustofluidic scanning fluorescence nanoscopy provides a powerful tool for versatile nanoscale fluorescence imaging for researchers in the fields of medicine,biology,biophysics,and biomedical engineering.

关键词： field resolution utilize

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