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arXiv 2021年

作者： Wang, Dong Treado, John D. Boromand, Arman Norwick, Blake Murrell, Michael P. Shattuck, Mark D. O'Hern, Corey S. Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Department of Biomedical Engineering Yale University New HavenCT06520 United States Systems Biology Institute Yale University West HavenCT06516 United States Benjamin Levich Institute and Physics Department The City College of New York New YorkNY10031 United States Department of Applied Physics Yale University New HavenCT06520 United States

We investigate the structural, vibrational, and mechanical properties of jammed packings of deformable particles with shape degrees of freedom in three dimensions (3D). Each 3D deformable particle is modeled as a surface-triangulated polyhedron, with spherical vertices whose positions are determined by a shape-energy function with terms that constrain the particle surface area, volume, and curvature, and prevent interparticle overlap. We show that jammed packings of deformable particles without bending energy possess low-frequency, quartic vibrational modes, whose number decreases with increasing asphericity and matches the number of missing contacts relative to the isostatic value. In contrast, jammed packings of deformable particles with non-zero bending energy are isostatic in 3D, with no quartic modes. We find that the contributions to the eigenmodes of the dynamical matrix from the shape degrees of freedom are significant over the full range of frequency and shape parameters for particles with zero bending energy. We further show that the ensembleaveraged shear modulus hGi scales with pressure P as hGi ∼ pβ, with β ≈ 0.75 for jammed packings of deformable particles with zero bending energy. In contrast, β ≈ 0.5 for packings of deformable particles with non-zero bending energy, which matches the value for jammed packings of soft, spherical particles with fixed shape. These studies underscore the importance of incorporating particle deformability and shape change when modeling the properties of jammed soft materials. © 2021, CC BY.

关键词： Degrees of freedom (mechanics)

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Cover Feature: Clarification on the Gassing Behavior of Carbon-Coated Li4Ti5O12at Elevated Temperature: Importance of Coating Coverage (Batteries & Supercaps 6/2022)

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Batteries & Supercaps 2022年第6期5卷

作者： Kaviarasan Govindarajan Dr. Ralph Nicolai Nasara Prof. Shih-kang Lin Department of Materials Science and Engineering National Cheng Kung University Tainan 70101 Taiwan Graduate School of Engineering Kyoto University Kyoto 615-8510 Japan Hierarchical Green-Energy Materials (Hi-GEM) Research Center National Cheng Kung University Tainan 70101 Taiwan Program on Smart and Sustainable Manufacturing Academy of Innovative Semiconductor and Sustainable Manufacturing National Cheng Kung University Tainan 70101 Taiwan Core Facility Center National Cheng Kung University Tainan 70101 Taiwan

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Electrochemical Behavior of Cytochrome C Immobilized in a Magnetically Induced Mesoporous Framework

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CHEMELECTROCHEM 2019年第23期6卷 5769-U2页

作者： Melo, A. F. A. A. Sedenho, G. C. Osica, I. Ariga, K. Crespilho, F. N. Department of Physical Chemistry University of São Paulo (USP) / São Carlos Institute of Chemistry (IQSC) São Carlos Brazil Post-Graduate Course in Materials Engineering (PPGEM) Federal Institute of Education Science and Technology of Piauí (IFPI) Teresina Brazil World Premier International (WPI) Research Center for Materials Nanoarchitectonics (MANA) National Institute for Materials Science (NIMS) Tsukuba Japan Department of Physical Chemistry University of São Paulo (USP) / São Carlos Institute of Chemistry (IQSC) São Carlos Brazil World Premier International (WPI) Research Center for Materials Nanoarchitectonics (MANA) National Institute for Materials Science (NIMS) Tsukuba Japan Faculty of Materials Science and Engineering Warsaw University of Technology (WUT) Warsaw Poland World Premier International (WPI) Research Center for Materials Nanoarchitectonics (MANA) National Institute for Materials Science (NIMS) Tsukuba Japan Department of Advanced Materials Science Graduate School of Frontier Sciences / The University of Tokyo Kashiwa Japan

Invited for this month's cover picture is Prof. Crespilho's group (Bioelectrochemistry and Interfaces) from São Carlos Institute of Chemistry (IQSC/USP, Brazil). The cover picture shows molecules of redox protein cytochrome c immobilized on the metallic coating from magnetite nanoparticles decorated with near-monodisperse gold nanoparticles, which are used as colloidal building blocks for the magnetic assembly of mesoporous framework. Read the full text of the Article at 10.1002/celc.201901047 .

关键词： magnetically induced mesoporous frameworks magnetite nanoparticles gold nanoparticles cytochrome c protein immobilization

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Enhanced meta-displays using advanced phase-change materials

arXiv

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arXiv 2021年

作者： Hemmatyar, Omid Abdollahramezani, Sajjad Zeimpekis, Ioannis Lepeshov, Sergey Krasnok, Alex Khan, Asir Intisar Neilson, Kathryn M. Teichrib, Christian Brown, Tyler Pop, Eric Hewak, Daniel W. Wuttig, Matthias Alù, Andrea Muskens, Otto L. Adibi, Ali School of Electrical and Computer Engineering Georgia Institute of Technology 778 Atlantic Drive NW AtlantaGA30332-0250 United States Zepler Institute Faculty of Engineering and Physical Sciences University of Southampton SouthamptonSO17 1BJ United Kingdom ITMO University St. Petersburg197101 Russia Photonics Initiative Advanced Science Research Center City University of New York New YorkNY10031 United States Department of Electrical Engineering Department of Materials Science and Engineering Precourt Institute for Energy Stanford University StanfordCA94305 United States Physikalisches Institut IA RWTH Aachen Sommerfeldstrasse 14 Aachen52074 Germany Physics Program Graduate Center City University of New York New YorkNY10016 United States Physics and Astronomy Faculty of Engineering and Physical Sciences University of Southampton SouthamptonSO17 1BJ United Kingdom

Structural colors generated due to light scattering from static all-dielectric metasurfaces have successfully enabled high-resolution, high-saturation, and wide-gamut color printing applications. Despite recent advances, most demonstrations of these structure-dependent colors lack post-fabrication tunability. This hinders their applicability for front-end dynamic display technologies. Phase-change materials (PCMs), with significant contrast of their optical properties between their amorphous and crystalline states, have demonstrated promising potentials in reconfigurable nanophotonics. Herein, we leverage tunable all-dielectric reflective metasurfaces made of newly emerged classes of low-loss optical PCMs, i.e., antimony trisulphide (Sb2S3) and antimony triselenide (Sb2Se3), with superb characteristics to realize switchable, high-saturation, high-efficiency and high-resolution dynamic meta-pixels. Exploiting polarization-sensitive building blocks, the presented meta-pixel can generate two different colors when illuminated by either one of two orthogonally polarized incident beams. Such degrees of freedom (i.e., material phase and polarization state) enable a single reconfigurable metasurface with fixed geometrical parameters to generate four distinct wide-gamut colors. We experimentally demonstrate, for the first time, an electrically-driven micro-scale display through the integration of phase-change metasurfaces with an on-chip heater formed by transparent conductive oxide. Our experimental findings enable a versatile platform suitable for a wide range of applications, including tunable full-color printing, enhanced dynamic displays, information encryption, and anti-counterfeiting. © 2021, CC BY.

关键词： Light scattering

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All-Electric Ship Sustainable Power from Alkaline Membrane Fuel Cells

All-Electric Ship Sustainable Power from Alkaline Membrane F...

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IEEE Electric Ship Technologies Symposium, ESTS

作者： Rodrigo C. Raimundo José V. C. Vargas Juan C. Ordonez Graduate Program in Materials Science Engineering and Sustainable Energy Research and Development Center Federal University of Paraná UFPR Curitiba Brazil Department of Mechanical Engineering Florida State University FSU Tallahassee FL USA

This work proposes a system that combines H2 produced by Al oxidation in water using NaOH as catalyst, and a fuel cell stack to generate power. A cellulosic membrane avoids the use of asbestos (carcinogenic) and ammonia (toxic) based membranes. Aluminum is inexpensive, abundant and fully recyclable. A sustainable alkaline membrane fuel cell (SAMFC) stack with four single cells, the reactor, and CO 2 purifier were built. The results are presented in polarization and power curves. Even with recycled aluminum, the results demonstrate that the SAMFC stack delivered 3.73 V in open circuit and ~3 W of maximum power, which is similar to the stack operating with pure H2. Taking into account that H2 could also be generated by aluminum corrosion in seawater, the main conclusion is that with in situ sustainable H2 production, the SAMFC stack has the potential to become economically competitive, and replace traditional AES power sources.

关键词： Fuel cells Aluminum Voltage measurement Prototypes Electrolytes Current measurement Marine vehicles

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New type of half-metallic fully compensated ferrimagnet

arXiv

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arXiv 2021年

作者： Semboshi, S. Umetsu, Rie Y. Kawahito, Y. Akai, H. Institute for Materials Research Tohoku University 2-1-1 Katahira Sendai980-8577 Japan Center for Spintronics Research Network Tohoku University 2-1-1 Katahira Sendai980-8577 Japan Center for Science and Innovation in Spintronics 2-1-1 Katahira Sendai980-8577 Japan Advanced Science-Technology Research Program Japan Agency for Marine-Earth Science and Technology 2-15 Natsushima Yokosuka Kanagawa237-0061 Japan Department of Applied Physics Graduate School of Engineering Osaka University 2-1 Yamadaoka Suita Osaka565-0871 Japan The Institute for Solid State Physics The University of Tokyo 5-1-5 Kashiwanoha Chiba Kashiwa277-8581 Japan

Half-metallic fully compensated ferrimagnets (HM-FCFMs), a special class of half-metals exhibiting zero magnetization at absolute zero, are promising candidates for next-generation spintronics applications. For over 25 years, theoretical studies have been conducted to realize HM-FCFM materials for practical applications. Herein, we experimentally demonstrate a NiAs-type hexagonal-structured (CrFe)S compound that could serve as an HM-FCFM material. It has a half-metallic nature, with 100% spin-polarized Fermi surfaces and zero magnetization. Further, the magnetization shows a linear behavior as a function of the magnetic field below the compensation temperature of around 200 K, with high magnetic coercivity of 38 kOe at 300 K. These magnetic features are expected to contribute to a quantum leap in the application of HM-FCFM layers in spintronics devices. Copyright © 2021, The Authors. All rights reserved.

关键词： Ferrimagnetism

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Reconfigurable Hyperbolic Polaritonics with Correlated Oxide Metasurfaces

Research Square

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Research Square 2021年

作者： Aghamiri, Neda Alsadat Hu, Guangwei Fali, Alireza Zhang, Zhen Li, Jiahan Balendhran, Sivacarendran Walia, Sumeet Sriram, Sharath Edgar, James H. Ramanathan, Shriram Alù, Andrea Abate, Yohannes Department of Physics and Astronomy University of Georgia AthensGA30602 United States Photonics Initiative Advanced Science Research Center City University of New York New YorkNY10031 United States Department of Electrical and Computer Engineering National University of Singapore Kent Ridge Singapore117583 Singapore School of Materials Engineering Purdue University West LafayetteIN47907 United States Tim Taylor Department of Chemical Engineering Kansas State University ManhattanKN 66506 United States School of Physics University of Melbourne ParkvilleVIC3010 Australia School of Engineering RMIT University MelbourneVIC Australia Functional Materials and Microsystems Research Group Micro Nano Research Facility RMIT University MelbourneVIC Australia ARC Centre of Excellence for Transformative Meta-Optical Systems RMIT University MelbourneVIC Australia Physics Program Graduate Center City University of New York New YorkNY10016 United States

Polaritons enable subwavelength confinement and highly anisotropic flows of light over a wide spectral range, holding the promise for applications in modern nanophotonic and optoelectronic devices. However, to fully realize their practical application potential, facile methods enabling nanoscale active control of polaritons are needed. Here, we introduce a hybrid polaritonic-oxide heterostructure platform consisting of van der Waals crystals, such as hexagonal boron nitride (hBN) or alpha-phase molybdenum trioxide (α-MoO3), transferred on nanoscale oxygen vacancy patterns on the surface of prototypical correlated perovskite oxide SmNiO3 (SNO). Using a combination of scanning probe microscopy and infrared nanoimaging techniques, we demonstrate nanoscale real-time reconfigurability of complex hyperbolic phonon polaritons patterned at the nanoscale with unmatched resolution. Hydrogenation and temperature modulation allow spatially localized conductivity modulation of SNO nanoscale patterns, enabling robust real-time modulation and nanoscale reconfiguration of hyperbolic polaritons. Our work paves the way towards nanoscale programmable metasurface engineering as a new paradigm for reconfigurable nanophotonic applications facilitated by a hybrid material platform exploiting extreme light-matter interactions in polaritonic systems. © 2021, CC BY.

关键词： Polariton

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Room temperature tunable coupling of single photon emitting quantum dots to localized and delocalized modes in plasmonic nanocavity array

arXiv

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arXiv 2020年

作者： Yadav, Ravindra Kumar Liu, Wenxiao Li, Ran Odom, Teri W. Agarwal, Girish S. Basu, Jaydeep K. Department of Physics Indian Institute of Science Bangalore560012 India Texas A&M University College StationTX77843 United States Shaanxi Province Key Laboratory for Quantum Information and Quantum Optoelectronic Devices Xi0an Jiaotong University Xi0an710049 China Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Graduate Program in Applied Physics Northwestern University EvanstonIL60208 United States Department of Materials Science and Engineering Northwestern LemontIL60439 United States Department of Chemistry Northwestern University EvanstonIL60208 United States

Single photon sources (SPS), especially those based on solid state quantum emitters, are key elements in future quantum technologies. What is required is the development of broadband, high quantum efficiency, room temperature SPS which can also be tunably coupled to optical cavities which could lead to development of all-optical quantum communication platforms. In this regard deterministic coupling of SPS to plasmonic nanocavity arrays has great advantage due to long propagation length and delocalized nature of surface lattice resonances (SLRs). Guided by these considerations, we report experiments on the room temperature tunable coupling of single photon emitting colloidal quantum dots (CQDs) to localised and delocalised modes in plasmonic nanocavity arrays. Using time-resolved photo-luminescence measurement on isolated CQD, we report significant advantage of SLRs in realizing much higher Purcell effect, despite large dephasing of CQDs, with values of ∼ 22 and ∼ 6 for coupling to the lattice and localised modes, respectively. We present measurements on the antibunching of CQDs coupled to these modes with g(2)(0) values in quantum domain providing evidence for an effective cooperative behavior. We present a density matrix treatment of the coupling of CQDs to plasmonic and lattice modes enabling us to model the experimental results on Purcell factors as well as on the antibunching. We also provide experimental evidence of indirect excitation of remote CQDs mediated by the lattice modes and propose a model to explain these observations. Our study demonstrates the possibility of developing nanophotonic platforms for single photon operations and communications with broadband quantum emitters and plasmonic nanocavity arrays since these arrays can generate entanglement between to spatially separated quantum emitters. Copyright © 2020, The Authors. All rights reserved.

关键词： Semiconductor quantum dots

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Ion-exchanged zeolite as a hybrid system: Fluoxetine removal and antibacterial activity

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Microporous and Mesoporous materials 2025年 396卷

作者： Gabriela Maria Matos Demiti Natália Cândido Homem Helena Prado Felgueiras Anna Carla Ribeiro Benício Alves de Abreu Filho Mara Heloisa Neves Olsen Scaliante Miguel Torres Rodríguez Rosângela Bergamasco State University of Maringá Department of Chemical Engineering Av. Colombo 5790 Maringá 87020-900 Paraná Brazil Centre for Textile Science and Technology (2C2T) University of Minho (UMinho) Azurém Campus University Street 4800-058 Guimarães Portuguese Republic Simoldes Plastics Research and Innovation Department Comendador António da Silva Rodrigues Street 100 3720-502 Oliveira de Azeméis Portuguese Republic State University of Maringá Department of Biotechnology Genetics and Cell Biology Av. Colombo 5790 Maringá 87020-900 Paraná Brazil State University of Maringá Post-Graduate Program in Food Science Av. Colombo 5790 Maringá 87020-900 Paraná Brazil Metropolitan Autonomous University Division of Basic Science and Engineering Av. San Pablo Xalpa 180 San Martin Xochinahuac Azcapotzalco Ciudad de México 02128 United Mexican States

The increasing consumption of antidepressants, aggravated by the coronavirus disease 2019 (COVID-19) pandemic, has resulted in the detection of compounds such as fluoxetine in drinking water. This substance is highly toxic to aquatic organisms and has the potential for bioaccumulation in aquatic environments. This study evaluated the effects of modifying natural zeolites through ion exchange to enhance their adsorption capacity and assess their multifunctional potential. Natural zeolites were modified by immersion in 0.1 mol L −1 solutions of AgNO 3 , MgCl 2 , FeSO 4 , and FeCl 3 , and their performance in fluoxetine removal was systematically compared. The samples were characterized by Fourier-transform infrared spectroscopy, X-ray diffraction, X-ray fluorescence spectroscopy, thermogravimetric analysis, point of zero charge, scanning electron microscopy, and transmission electron microscopy. Adsorption experiments were conducted with an adsorbent concentration of 1 g L −1 and an initial fluoxetine concentration of 20 mg L −1 . The silver-modified zeolite (ZN-AgNO 3 ), which achieved the best performance among the tested materials, was selected for further testing. The pseudo-second-order and Langmuir models provided the best kinetic and isotherm fits, respectively, with a maximum adsorption capacity of 36.36 mg g −1 , achieved at 308 K and an equilibrium time of 21 h. Desorption experiments showed that the adsorbent maintained recovery rates above 50 % over four cycles of reuse. The main adsorption mechanisms involved ion exchange, electrostatic interactions, and hydrogen bonding, in addition to the affinity of silver with the functional groups of fluoxetine. The adsorbent also inhibited the growth of Escherichia coli . Overall, ZN-AgNO 3 demonstrated potential for fluoxetine removal and antibacterial activity.

关键词： Fourier transform infrared spectroscopy

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Efficient Formulation of Polarizable Gaussian Multipole Electrostatics for Biomolecular Simulations

arXiv

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arXiv 2020年

作者： Wei, Haixin Qi, Ruxi Wang, Junmei Cieplak, Piotr Duan, Yong Luo, Ray Departments of Molecular Biology and Biochemistry Chemical and Biomolecular Engineering Materials Science and Engineering and Biomedical Engineering Graduate Program in Chemical and Materials Physics University of California Irvine IrvineCA92697 United States Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center School of Pharmacy University of Pittsburgh PittsburghPA15261 United States SBP Medical Discovery Institute 10901 North Torrey Pines Road San diegoCA92037 United States UC Davis Genome Center Department of Biomedical Engineering University of California Davis One Shields Avenue DavisCA95616 United States

Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applications, there have been growing demands on developing polarizable force fields for handling more complicated biomolecular processes. Here we focus on a recently proposed polarizable Gaussian Multipole (pGM) model for biomolecular simulations. A key benefit of pGM is its screening of all short-range electrostatic interactions in a physically consistent manner, which is critical for stable charge-fitting and is needed to reproduce molecular anisotropy. Another advantage of pGM is that each atom’s multipoles are represented by a single Gaussian function or its derivatives, allowing for more efficient electrostatics than other Gaussian-based models. In this study we present an efficient formulation for the pGM model defined with respect to a local frame formed with a set of covalent basis vectors. The covalent basis vectors are chosen to be along each atom’s covalent bonding directions. The new local frame allows molecular flexibility during molecular simulations and facilitates an efficient formulation of analytical electrostatic forces without explicit torque computation. Subsequent numerical tests show that analytical atomic forces agree excellently with numerical finite-difference forces for the tested system. Finally, the new pGM electrostatics algorithm is interfaced with the PME implementation in Amber for molecular simulations under the periodic boundary conditions. To validate the overall pGM/PME electrostatics, we conducted an NVE simulation for a small water box of 512 water molecules. Our results show that, to achieve energy conservation in the polarizable model, it is important to ensure enough accuracy on both PME and induction iteration. It is hoped that the reformulated pGM model will facilitate the development of future force fields based on the pGM electrostatics for applicatio

关键词： Electrostatics

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