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Nano Research 2024年第4期17卷 3130-3138页

作者： Zedong Hu Juanjuan Lu Hongyi Dou Jianan shen James PBarnard Juncheng Liu Xinghang Zhang Haiyan Wang school of Electrical and Computer Engineering Purdue UniversityWest LafayetteIN 47906USA school of Materials Engineering Purdue UniversityWest LafayetteIN 47906USA

Oxide-metal based nanocomposite thin films have attracted great interests owing to their unique anisotropic structure and physical properties.A wide range of Au-based oxide-metal nanocomposites have been demonstrated,while other metal systems are scarce due to the challenges in the initial nucleation and growth as well as possible interdiffusions of the metallic *** this work,a unique anodic aluminum oxide(AAO)template was used to grow a thin Co seed layer and the following self-assembled metal-oxide(Co-BaTiO_(3))vertically aligned nanocomposite thin film *** AAO template allows the uniform growth of Co-seeds and successfully deposition of highly ordered Co pillars(with diametersside the oxide *** magnetic anisotropy and strong magneto-optical coupling properties have been observed.A thin Au-BaTiO_(3) template was also later introduced for further enhanced nucleation and ordered growth of the *** the advantage of such a unique nanostructure,a large out-of-plane(OP)coercive field(Hc)of~5000 Oe has been achieved,making the nanocomposite an ideal candidate for high density perpendicular magnetic tunneling junction(p-MTJ).A strong polar magneto-optical Kerr effect(MOKE)has also been observed which inspires a novel optical-based reading method of the MTJ states.

关键词： vertically aligned nanocomposite(VAN) Co BaTiO_(3) thin film magneto-optical coupling magnetic anisotropy

Construction of conjugated scaffolds driven by mechanochemistry towards energy storage applications

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Green Chemical Engineering 2024年第2期5卷 155-172页

作者： Juntian Fan Zhenzhen Yang sheng Dai department of Chemistry Institute for Advanced Materials and ManufacturingUniversity of TennesseeKnoxvilleTN37996USA Chemical sciences Division Oak Ridge National LaboratoryOak RidgeTN37831USA

Mechanochemistry has been recognized as an efficient and sustainable methodology to provide a unique driven force and reaction environments under ambient and neat conditions for the construction of functionalized materials possessing promising *** them,highly porous conjugated scaffolds with attractive electronic conductivities and high surface areas are one of the representative categories exhibiting diverse taskspecific applications,especially in electrochemical energy *** recent years,the mechanochemistry-driven procedures have been deployed to construct conjugated scaffolds with engineered structures and properties leveraging the tunability in chemical structures of building blocks and polymerization capability of diverse ***,a thorough review of related works is required to gain an in-depth understanding of the mechanochemical synthesis procedure and property-performance relationship of the as-produced conjugated ***,the mechanochemistry-driven construction of conjugated porous networks(CPNs),the carbon-based materials(e.g.,graphite and graphyne),and carbon supported single atom catalysts(Cs-sACs)are discussed and *** electrochemical performance of the afforded conductive scaffolds as electrode materials in supercapacitors and alkali-ion batteries is ***,the challenges and potential opportunities related to the construction of conjugated scaffolds driven by mechanochemistry are also discussed and concluded.

关键词： Mechanochemistry Conjugated scaffolds Porous organic networks Alkali-ion battery supercapacitor

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A thermodynamic perspective on electrode poisoning in solid oxide fuel cells

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International Journal of Minerals,Metallurgy and Materials 2024年第6期31卷 1449-1455页

作者： Kevin Huang department of Mechanical Engineering University of South CarolinaColumbiaUSA

A critical challenge to the commercialization of clean and high-efficiency solid oxide fuel cell(sOFC)technology is the insuf-ficient stack lifespan caused by a variety of degradation mechanisms,which are associated with cell components and chemical *** components related degradation refers to thermal/chemical/electrochemical deterioration of cell materials under operating conditions,whereas the latter regards impurities in feedstocks of oxidant(air)and reductant(fuel).This article provides a thermodynamic perspective on the understanding of the impurities-induced degradation mechanisms in *** discussion focuses on using thermodynamic ana-lysis to elucidate poisoning mechanisms in cathodes by impurity species such as Cr,CO_(2),H_(2)O,and sO_(2) and in the anode by species such as s(or H_(2)s),siO_(2),and P_(2)(or PH_(3)).The author hopes the presented fundamental insights can provide a theoretical foundation for search-ing for better technical solutions to address the critical degradation challenges.

关键词： impurities air fuel reaction activity

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All-optical image denoising using a diffractive visual processor

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Light(science & Applications) 2024年第3期13卷 429-445页

作者： Çağatay Işıl Tianyi Gan Fazil Onuralp Ardic Koray Mentesoglu Jagrit Digani Huseyin Karaca Hanlong Chen Jingxi Li Deniz Mengu Mona Jarrahi Kaan Akşit Aydogan Ozcan Electrical and Computer Engineering department University of CaliforniaLos AngelesCA 90095USA Bioengineering department University of CaliforniaLos AngelesCA 90095USA California Nanosystems Institute(CNsI) University of CaliforniaLos AngelesCA 90095USA university College London Department of Computer ScienceLondonUnited Kingdom

Image denoising,one of the essential inverse problems,targets to remove noise/artifacts from input *** general,digital image denoising algorithms,executed on computers,present latency due to several iterations implemented in,e.g.,graphics processing units(GPus).While deep learning-enabled methods can operate non-iteratively,they also introduce latency and impose a significant computational burden,leading to increased power ***,we introduce an analog diffractive image denoiser to all-optically and non-iteratively clean various forms of noise and artifacts from input images–implemented at the speed of light propagation within a thin diffractive visual processor that axially spanss the wavelength of *** all-optical image denoiser comprises passive transmissive layers optimized using deep learning to physically scatter the optical modes that represent various noise features,causing them to miss the output image Field-of-View(FoV)while retaining the object features of *** results show that these diffractive denoisers can efficiently remove salt and pepper noise and image rendering-related spatial artifacts from input phase or intensity images while achieving an output power efficiency of~30–40%.We experimentally demonstrated the effectiveness of this analog denoiser architecture using a 3D-printed diffractive visual processor operating at the terahertz *** to their speed,power-efficiency,and minimal computational overhead,all-optical diffractive denoisers can be transformative for various image display and projection systems,including,e.g.,holographic displays.

关键词： remove rendering holographic

Quantification of grain boundary effects on the geometrically necessary dislocation density evolution and strain hardening of polycrystalline Mg-4Al using in situ tensile testing in scanning electron microscope and HR-EBsD

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Journal of Magnesium and Alloys 2024年第5期12卷 1815-1829页

作者： Eunji song Mohsen Taheri Andani Amit Misra department of Materials science and Engineering University of MichiganAnn ArborMI 48109USA department of Mechanical Engineering University of MichiganAnn ArborMI 48109USA department of Mechanical Engineering Texas A&M UniversityCollege StationTX 77843USA

In situ tensile testing in a scanning electron microscope(sEM)in conjunction with high-resolution electron backscatter diffraction(HR-EBsD)under load was used to characterize the evolution of geometrically necessary dislocation(GND)densities at individual grain boundaries as a function of applied strain in a polycrystalline Mg-4Al *** increase in GND density was investigated at plastic strains of 0%,0.6%,2.2%,3.3% from the area including 76 grains and correlated with(i)geometric compatibility between slip systems across grain boundaries,and(ii)plastic *** develop expressions for the grain boundary GND density evolution as a function of plastic strain and plastic incompatibility,from which uniaxial tensile stress-strain response of polycrystalline Mg-4Al are computed and compared with experimental *** findings in this study contribute to understanding the mechanisms governing the strain hardening response of single-phase polycrystalline alloys and more reliable prediction of mechanical behaviors in diverse microstructures.

关键词： Mg-Al alloys Grain boundaries Geometrically necessary dislocations strain gradient plasticity HR-EBsD

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Indispensable gutter layers in thin-film composite membranes for carbon capture

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Green energy & Environment 2024年第8期9卷 1220-1238页

作者： Gengyi Zhang Haiqing Lin department of Chemical and Biological Engineering University at Buffalo The State University at New York

Industrial thin-film composite(TFC) membranes achieve superior gas separation properties from high-performance selective layer materials,while the success of membrane technology relies on high-performance gutter layers to achieve production scalability and low-cost manufacturing. However, the current literature predominantly focuses on the design of polymer architectures to obtain high permeability and selectivity, while the art of fabricating gutter layers is usually safeguarded by industrial manufacturers and appears lackluster to academic researchers. This is the first report aiming to provide a comprehensive and critical review of state-of-the-art gutter layer materials and their design and modification to enable TFC membranes with superior separation performance. We first elucidate the importance of the gutter layer on membrane performance through modeling and experimental results. Then various gutter layer materials used to obtain high-performance composite membranes are critically reviewed, and the strategies to improve their compatibility with the selective layer are highlighted, such as oxygen plasma treatment, polydopamine deposition, and surface grafting. Finally, we present the opportunities of the gutter layer design for practical applications.

关键词： Thin-film composite membranes Gutter layer Gas separation Carbon capture

substitution of Pb with (Li_(1/2)Bi_(1/2)) in PbZrO_(3)-based antiferroelectric ceramics

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Journal of Advanced Dielectrics 2024年第1期14卷 74-81页

作者： Binzhi Liu Anand P.s.Gaur Jun Cui Xiaoli Tan department of Materials science and Engineering Iowa state university AmesIA 50011USA

PbZrO_(3)-based antiferroelectric(AFE)ceramics are promising dielectrics for high-energy-density capacitors due to their reversible phase transitions during charge-discharge *** this work,a new composition series,[Pb_(0.93-x)La_(0.02)(Li_(1/2)Bi_(1/2))_(x)sr_(0.04)][Zr_(0.57)sn_(0.34)Ti_(0.09)]O_(3),with Li^(+)and Bi^(3+)substitution of Pb^(2+)at x=0,0.04,0.08,0.12,0.16 is investigated for the microstructure evolution,ferroelectric(FE)and dielectric *** is found that Li^(+) and Bi^(3+) substitution can significantly reduce the sintering temperature and simultaneously enhance the dielectric breakdown *** ultrahigh energy efficiency(94.0%)and a large energy density(3.22 J/cm^(3))are achieved in the composition of x=0.12 with a low sintering temperature(1075℃).

关键词： PbZrO_(3)-based antiferroelectrics LiþBi substitution energy storage energy efficiency

Recent progress in MnBi2nTe3n+1 intrinsic magnetic topological insulators: crystal growth, magnetism and chemical disorder

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National science Review 2024年第2期11卷 65-80页

作者： Chaowei Hu Tiema Qian Ni Ni department of Physics and Astronomy and California Nano systems Institute University of California-Los Angeles

The search for magnetic topological materials has been at the forefront of condensed matter research for their potential to host exotic states such as axion insulators, magnetic Weyl semimetals, Chern insulators,etc. To date, the MnBi2nTe3n+1family is the only group of materials showcasing van der Waals-layered structures, intrinsic magnetism and non-trivial band topology without trivial bands at the Fermi level. The interplay between magnetism and band topology in this family has led to the proposal of various topological phenomena, including the quantum anomalous Hall effect, quantum spin Hall effect and quantum magnetoelectric effect. Among these, the quantum anomalous Hall effect has been experimentally observed at record-high temperatures, highlighting the unprecedented potential of this family of materials in fundamental science and technological innovation. In this paper, we provide a comprehensive review of the research progress in this intrinsic magnetic topological insulator family, with a focus on single-crystal growth, characterization of chemical disorder, manipulation of magnetism through chemical substitution and external pressure, and important questions that remain to be conclusively answered.

关键词： MnBi2Te4 magnetic topological insulator magnetism tuning antiferromagnetism ferromagnetism pressure chemical doping

Volumetric lattice Boltzmann method for pore-scale mass diffusionadvection process in geopolymer porous structures

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2126-2136页

作者： Xiaoyu Zhang Zirui Mao Floyd W.Hilty Yulan Li Agnes Grandjean Robert Montgomery Hans-Conrad zur Loye Huidan Yu shenyang Hu Purdue university IndianapolisIN46202USA Pacific Northwest National Laboratory RichlandWA99352USA CEA DESISECDMRCUniv.MontpellierMarcouleFrance department of Chemistry and Biochemistry University of South CarolinaColumbiaSC29208USA

Porous materials present significant advantages for absorbing radioactive isotopes in nuclear waste *** improve absorption efficiency in nuclear waste treatment,a thorough understanding of the diffusion-advection process within porous structures is essential for material *** this study,we present advancements in the volumetric lattice Boltzmann method(VLBM)for modeling and simulating pore-scale diffusion-advection of radioactive isotopes within geopolymer porous *** structures are created using the phase field method(PFM)to precisely control pore *** our VLBM approach,we introduce a concentration field of an isotope seamlessly coupled with the velocity field and solve it by the time evolution of its particle population *** address the computational intensity inherent in the coupled lattice Boltzmann equations for velocity and concentration fields,we implement graphics processing unit(GPu)*** of the developed model involves examining the flow and diffusion fields in porous ***,good agreement is observed for both the velocity field from VLBM and multiphysics object-oriented simulation environment(MOOsE),and the concentration field from VLBM and the finite difference method(FDM).Furthermore,we investigate the effects of background flow,species diffusivity,and porosity on the diffusion-advection behavior by varying the background flow velocity,diffusion coefficient,and pore volume fraction,***,all three parameters exert an influence on the diffusion-advection *** background flow and diffusivity markedly accelerate the process due to increased advection intensity and enhanced diffusion capability,***,increasing the porosity has a less significant effect,causing a slight slowdown of the diffusion-advection process due to the expanded pore *** comprehensive parametric study provides valuable insights into the kinetics of isotope

关键词： Volumetric lattice Boltzmann method(VLBM) Phase field method(PFM) Pore-scale diffusion-advection Nuclear waste treatment Porous media flow Graphics processing unit(GPu) parallelization

unimolecular Reactions of E-Glycolaldehyde Oxide and Its Reactions with One and Two Water Molecules

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Research 2024年第1期2023卷 809-824页

作者： Yan sun Bo Long Donald G.Truhlar department of Physics Guizhou UniversityGuiyang 550025China College of Materials science and Engineering Guizhou Minzu UniversityGuiyang 550025China department of Chemistry Chemical Theory Centerand Supercomputing InstituteUniversity of MinnesotaMinneapolisMN 55455-0431USA

The kinetics of Criegee intermediates are important for atmospheric ***,the quantitative kinetics of Criegee intermediates are still very limited,especially for those with hydroxy ***,we calculate rate constants for the unimolecular reaction of E-glycolaldehyde oxide[E-hydroxyethanal oxide,E-(CH_(2)OH)CHOO],for its reactions with H_(2)O and(H_(2)O)_(2),and for the reaction of the E-(CH_(2)OH)CHOO…H_(2)O complex with H_(2)*** the highest level of electronic structure,we use W3X-L//CCsD(T)-F12a/cc-pVDZ-F12 for the unimolecular reaction and the reaction with water and W3X-L//DF-CCsD(T)-F12b/jun-cc-pVDZ for the reaction with 2 water *** the dynamics,we use a dual-level strategy that combines conventional transition state theory with the highest level of electronic structure and multistructural canonical variational transition state theory with small-curvature tunneling with a validated density functional for the electronic structure.

关键词： structure kinetics molecular