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Space‐Confined Atomic Clusters Catalyze Superassembly of Silicon Nanodots within Carbon Frameworks for Use in Lithium‐Ion Batteries

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Angewandte Chemie 2019年第8期132卷

作者： Bingjie Chen Lianhai Zu Yao Liu Ruijing Meng Yutong Feng Chengxin Peng Feng Zhu Tianzi Hao Jiajia Ru Yonggang Wang Jinhu Yang School of Chemical Science and Engineering Tongji University Shanghai 200092 P. R. China Research Center for Translational Medicine & Key Laboratory of Arrhythmias of the Ministry of Education of China East Hospital Tongji University School of Medicine No. 150 Jimo Road Shanghai 200120 P. R. China Department of Chemical Engineering Monash University Clayton Australia Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Institute of New Energy Fudan University Shanghai 200433 China School of Materials Science and Engineering University of Shanghai for Science and Technology Shanghai 200093 China School of Aerospace Engineering and Applied Mechanics Tongji University Shanghai 200433 China

Incorporating nanoscale Si into a carbon matrix with high dispersity is desirable for the preparation of lithium‐ion batteries (LIBs) but remains challenging. A space‐confined catalytic strategy is proposed for direct superassembly of Si nanodots within a carbon (Si NDs⊂C) framework by copyrolysis of triphenyltin hydride (TPT) and diphenylsilane (DPS), where Sn atomic clusters created from TPT pyrolysis serve as the catalyst for DPS pyrolysis and Si catalytic growth. The use of Sn atomic cluster catalysts alters the reaction pathway to avoid SiC generation and enable formation of Si NDs with reduced dimensions. A typical Si NDs⊂C framework demonstrates a remarkable comprehensive performance comparable to other Si‐based high‐performance half LIBs, and higher energy densities compared to commercial full LIBs, as a consequence of the high dispersity of Si NDs with low lithiation stress. Supported by mechanic simulations, this study paves the way for construction of Si/C composites suitable for applications in future energy technologies.

关键词： Atomare Cluster Kohlenstoffmatrizen Pyrolyse-Strategien Silicium Strukturelle Stabilität

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Hyperbolic Dispersion Arising from Anisotropic Excitons in Two-Dimensional Perovskites

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Physical Review Letters 2018年第12期121卷 127401-127401页

作者： Peijun Guo Wei Huang Constantinos C. Stoumpos Lingling Mao Jue Gong Li Zeng Benjamin T. Diroll Yi Xia Xuedan Ma David J. Gosztola Tao Xu John B. Ketterson Michael J. Bedzyk Antonio Facchetti Tobin J. Marks Mercouri G. Kanatzidis Richard D. Schaller Center for Nanoscale Materials Argonne National Laboratory 9700 South Cass Avenue Lemont Illinois 60439 USA Department of Chemistry Northwestern University 2145 Sheridan Road Evanston Illinois 60208 USA Materials Research Center Northwestern University 2145 Sheridan Road Evanston Illinois 60208 USA Department of Chemistry & Biochemistry Northern Illinois University DeKalb Illinois 60115 USA Applied Physics Program Northwestern University 2145 Sheridan Road Evanston Illinois 60208 USA Department of Physics and Astronomy Northwestern University 2145 Sheridan Road Evanston Illinois 60208 USA Department of Materials Science and Engineering Northwestern University 2145 Sheridan Road Evanston Illinois 60208 USA Flexterra Corporation 8025 Lamon Avenue Skokie Illinois 60077 USA

Excitations of free electrons and optical phonons are known to permit access to the negative real part of relative permittivities (ϵ′<0) that yield strong light-matter interactions. However, negative ϵ′ arising from excitons has been much less explored. Via development of a dielectric-coating based technique described herein, we report fundamental optical properties of two-dimensional hybrid perovskites (2DHPs), composed of alternating layers of inorganic and organic sublattices. Low members of 2DHPs (N=1 and N=2) exhibit negative ϵ′ stemming from the large exciton binding energy and sizable oscillator strength. Furthermore, hyperbolic dispersion (i.e., ϵ′ changes sign with directions) occurs in the visible range, which has been previously achieved only with artificial metamaterials. Such naturally occurring, exotic dispersion stems from the extremely anisotropic excitonic behaviors of 2DHPs, and can intrinsically support a large photonic density of states. We suggest that several other van der Waals solids may exhibit similar behaviors arising from excitonic response.

关键词： Excitons Hyperbolic metamaterials Nanophotonics Permittivity 2-dimensional systems Photovoltaic absorbers Solar cells Optical microscopy Optical spectroscopy Reflectivity

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Author Correction: Poisson's ratio and modern materials

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Nature materials 2019年第4期18卷 406页

作者： G N Greaves A L Greer R S Lakes T Rouxel Department of Materials Science and Metallurgy University of Cambridge Pembroke Street Cambridge CB2 3QZ UK. gng@aber.ac.uk. Institute of Mathematics and Physics Aberystwyth University Aberystwyth SY23 3BZ UK. gng@aber.ac.uk. Department of Materials Science and Metallurgy University of Cambridge Pembroke Street Cambridge CB2 3QZ UK. Department of Engineering Physics Department of Materials Science University of Wisconsin-Madison Wisconsin 53706-1687 USA. Applied Mechanics Laboratory LARMAUR ERL-CNRS 6274 Université Rennes 1 35042 Rennes cedex France.

In the version of this Review Article originally published, parentheses were misplaced and the longitudinal and transverse speeds were inverted in two expressions for Poisson's ratio in Box 2; the expressions shou...

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Active Plasmonics in Kirigami Configurations Toward High-Performance Smart Windows

SSRN

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SSRN 2018年

作者： Ke, Yujie Yin, Yin Zhang, Qiuting Tan, Yutong Hu, Peng Wang, Shancheng Tang, Yichao Zhou, Yang Wen, Xinglin Wu, Shaofan Yin, Jie Peng, Jinqing Xiong, Qihua Zhao, Dongyuan Long, Yi School of Materials Science and Engineering Nanyang Technological University Singapore639798 Singapore Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University Singapore637371 Singapore Applied Mechanics of Materials Laboratory Department of Mechanical Engineering Temple University PhiladelphiaPA19122 United States College of Civil Engineering Hunan University Hunan Changsha410082 China Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fujian Fuzhou350002 China NOVITAS Nanoelectronics Centre of Excellence School of Electrical and Electronic Engineering Nanyang Technological University Singapore639798 Singapore Fudan University Shanghai200433 China 1 Create Way 138602 Singapore

Architectural windows that smartly regulate the indoor solar irradiation are promised to economize the building energy consumption. Here we demonstrate a method for adaptive, broadband, and high-efficient solar modulation for energy-efficient smart windows through the active plasmonics in kirigami structures. We develop a kirigami-inspired elastomer containing plasmonic vanadium dioxide (VO2) nanoparticles, in which the geometrical transition and the temperature-dependent localized surface plasmon resonance (LSPR) present dominant controls in ultraviolet-visible and near-infrared regions, respectively. The active LSPR control via stretch-induced local dielectric changes is mitigated on kirigami metamaterials due to their unique strain distributions. This method was demonstrated a decent property in energy-efficient smart windows with a decent solar energy modulation (37.7%), surpassing the best reported passive and transparent VO2 thermochromism systems. This first attempt to integrate the plasmonics and kirigami may inspire developments in smart windows, building energy economization, as well as fundamental studies of plasmonic controls in metastructures. © 2018, The Authors. All rights reserved.

关键词： Plasmonics

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Equation of Motion for a Grain Boundary

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Physical Review Letters 2017年第24期119卷 246101-246101页

作者： Luchan Zhang Jian Han Yang Xiang David J. Srolovitz Department of Materials Science and Engineering University of Pennsylvania Philadelphia Pennsylvania 19104 USA Department of Mathematics The Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong Department of Mechanical Engineering and Applied Mechanics University of Pennsylvania Philadelphia Pennsylvania 19104 USA Institute for Advanced Study The Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong

Grain boundary (GB) migration controls many forms of microstructural evolution in polycrystalline materials. Recent theory, simulations, and experiments demonstrate that GB migration is controlled by the motion of discrete line defects or disconnections. We present a continuum equation of motion for grain boundary derived from the underlying discrete disconnection mechanism. We also present an equation of motion for the junctions where multiple grain boundaries meet—as is always the case in a polycrystal. The resulting equation of motion naturally exhibits junction drag—a widely observed phenomena in junction dynamics in solids and liquids.

关键词： Disclinations & dislocations Grain boundaries Line defects Roughness Numerical techniques

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A tube dynamics perspective governing stability transitions: An example based on snap-through buckling

arXiv

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arXiv 2017年

作者： Zhong, Jun Virgin, Lawrence N. Ross, Shane D. Engineering Mechanics Program Virginia Tech BlacksburgVA24061 United States Department of Mechanical Engineering and Materials Science Duke University DurhamNC27708 United States

The equilibrium configuration of an engineering structure, able to withstand a certain loading condition, is usually associated with a local minimum of the underlying potential energy. However, in the nonlinear context, there may be other equilibria present, and this brings with it the possibility of a transition to an alternative (remote) minimum. That is, given a sufficient disturbance, the structure might buckle, perhaps suddenly, to another shape. This paper considers the dynamic mechanisms under which such transitions (typically via saddle points) occur. A two-mode Hamiltonian is developed for a shallow arch/buckled beam. The resulting form of the potential energy-two stable wells connected by rank-1 saddle points-shows an analogy with resonance transitions in celestial mechanics or molecular reconfigurations in chemistry, whereas here the transition corresponds to switching between two stable structural configurations. Then, from Hamilton's equations, the analytical equilibria are determined and linearization of the equations of motion about the saddle is obtained. After computing the eigenvalues and eigenvectors of the coefficient matrix associated with the linearization, a symplectic transformation is given which puts the Hamiltonian into normal form and simplifies the equations, allowing us to use the conceptual framework known as tube dynamics. The flow in the equilibrium region of phase space as well as the invariant manifold tubes in position space are discussed. Also, we account for the addition of damping in the tube dynamics framework, which leads to a richer set of behaviors in transition dynamics than previously explored. Copyright © 2017, The Authors. All rights reserved.

关键词： Hamiltonians

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Molecular landscape of sex- and modality-specific exercise adaptation in human skeletal muscle through large-scale multi-omics integration

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Cell Reports 2025年第6期44卷 115750页

作者： Jacques, Macsue Landen, Shanie Sharples, Adam P. Garnham, Andrew Schittenhelm, Ralf Steele, Joel Heikkinen, Aino Sillanpää, Elina Ollikainen, Miina Broatch, James Zarekookandeh, Navabeh Hanson, Ola Ekström, Ola Asplund, Olof Lamon, Séverine Alexander, Sarah E. Smith, Cassandra Bauer, Carlie Woessner, Mary N. Levinger, Itamar Teschendorff, Andrew E. Gillberg, Linn Blom, Ida Helge, Jørn Wulff Harvey, Nicholas R. Haupt, Larisa M. Griffiths, Lyn R. Deshmukh, Atul S. Pietiläinen, Kirsi H. Piirilä, Päivi Seaborne, Robert A.E. Klevjer, Marie Bye, Anja Wisløff, Ulrik Jones-Freeman, Bernadette Eynon, Nir Australian Regenerative Medicine Institute Monash University Clayton VIC Australia Institute for Health and Sport (iHeS) Victoria University Footscray VIC Australia Centre for Endocrinology and Metabolism Hudson Institute of Medical Research Melbourne VIC Australia Institute of Physical Performance Norwegian School of Sport Sciences Oslo Norway Monash Proteomics & Metabolomics Platform Monash Biomedicine Discovery Institute Monash University Melbourne VIC Australia Institute for Molecular Medicine Finland (FIMM) Helsinki University Helsinki Finland Faculty of Sport and Health Sciences University of Jyväskylä Jyväskylä Finland Wellbeing Services County of Central Finland Jyväskylä Finland Minerva Foundation Institute for Medical Research Helsinki Finland Department of Clinical Sciences Translational Muscle Research Unit Lund University Diabetes Center Lund University Lund Sweden Institute for Physical Activity and Nutrition (IPAN) School of Exercise and Nutrition Sciences Deakin University 221 Burwood Highway Burwood 3125 VIC Australia Cardiometabolic Health and Exercise Physiology Laboratory Baker Heart and Diabetes Institute 75 Commercial Road Melbourne 3004 VIC Australia Nutrition & Health Innovation Research Institute Edith Cowan University Joondalup WA Australia Medical School The University of Western Australia Perth WA Australia Australian Institute for Musculoskeletal Science (AIMSS) Victoria University Melbourne VIC Australia CAS Key Lab of Computational Biology Shanghai Institute of Nutrition and Health Shanghai China Department of Biomedical Sciences University of Copenhagen Copenhagen Denmark Faculty of Health Sciences and Medicine Bond University Gold Coast QLD Australia Genomics Research Centre Centre for Genomics and Personalised Health School of Biomedical Sciences Queensland University of Technology Brisbane QLD Australia ARC Training Centre for Cell and Tissue Engineering Technologies Queensland University of Technology

We investigated the molecular mechanisms of exercise adaptations in human muscle by integrating genome, methylome, transcriptome, and proteome data from over 1,000 participants (2,340 muscle samples). We identified distinctive signatures associated with maximal oxygen consumption (VO_2max), and multi-omics integration uncovered five key genes as robust exercise markers across layers, with transcription factors functioning as activators, synergizing with DNA methylation to regulate gene expression. Minimal sex differences were observed, while modality-specific analysis highlighted distinct pathways for aerobic and resistance exercise, contrasting with muscle disuse patterns. Finally, we created a webtool, OMAx, featuring our individual omics and integration analysis. These findings provide a comprehensive multi-omics framework for understanding exercise-induced molecular adaptations, offering insights into muscle health, cardiorespiratory fitness, and their roles in aging and disease prevention. © 2025 The Author(s)

关键词： CP: Metabolism DNA methylation epigenetics exercise gene expression Multi Omics proteomic skeletal muscle transcriptomic VO2 max

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An environment for sustainable research software in Germany and beyond: Current state, open challenges, and call for action

arXiv

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arXiv 2020年

作者： Anzt, Hartwig Bach, Felix Druskat, Stephan Löffler, Frank Loewe, Axel Renard, Bernhard Y. Seemann, Gunnar Struck, Alexander Achhammer, Elke Aggarwal, Piush Appel, Franziska Bader, Michael Brusch, Lutz Busse, Christian Chourdakis, Gerasimos Dabrowski, Piotr W. Ebert, Peter Flemisch, Bernd Friedl, Sven Fritzsch, Bernadette Funk, Maximilian D. Gast, Volker Goth, Florian Grad, Jean-Noël Hermann, Sibylle Hohmann, Florian Janosch, Stephan Kutra, Dominik Linxweiler, Jan Muth, Thilo Peters-Kottig, Wolfgang Rack, Fabian Raters, Fabian H.C. Rave, Stephan Reina, Guido Reißig, Malte Ropinski, Timo Schaarschmidt, Joerg Seibold, Heidi Thiele, Jan P. Uekerman, Benjamin Unger, Stefan Weeber, Rudolf Germany Innovative Computing Lab University of Tennessee KnoxvilleTN United States Department of English Studies Friedrich Schiller University Jena Germany Germany Department of Computer Science Humboldt-Universität zu Berlin Germany Heinz Nixdorf Chair for Distributed Information Systems Friedrich Schiller University Jena Germany Michael Stifel Center Jena Germany Center for Computation and Technology Louisiana State University Baton Rouge United States Germany Robert Koch Institute Berlin Germany Hasso Plattner Institute Faculty of Digital Engineering University of Potsdam Germany Institute for Experimental Cardiovascular Medicine University Heart Centre Freiburg Bad Krozingen Germany Faculty of Medicine University of Freiburg Freiburg Germany Matters of Activity. Image Space Material. Cluster of Excellence at Humboldt-Universität zu Berlin Germany Technische Universität München Germany Language Technology Lab Universität Duisburg-Essen Germany Germany Department of Informatics Technical University of Munich Germany Technische Universität Dresden Germany Deutsches Krebsforschungszentrum Heidelberg Germany Scientific Computing in Computer Science Technical University Munich Germany School of Computing Communication and Business Hochschule für Technik und Wirtschaft Berlin Germany Center for Bioinformatics Saar Saarland Informatics Campus Germany Institute for Modelling Hydraulic and Environmental Systems University of Stuttgart Germany Berlin Institute of Health Germany Scientific Computing Alfred Wegener Institute Helmholtz Center for Polar and Marine Research Bremerhaven Germany Max-Planck-Gesellschaft e.V. Institut für Theoretische Physik und Astrophysik Universität Würzburg Germany Institut für Computerphysik University of Stuttgart Germany University Library University of Stuttgart Germany Universität Bremen Germany Max Planck Institute of Molecular Cell Biology and Genetics Dresden Germany European Molecular Biology Laboratory Heidelb

Research software has become a central asset in academic research. It optimizes existing and enables new research methods, implements and embeds research knowledge, and constitutes an essential research product in itself. Research software must be sustainable in order to understand, replicate, reproduce, and build upon existing research or conduct new research effectively. In other words, software must be available, discoverable, usable, and adaptable to new needs, both now and in the future. Research software therefore requires an environment that supports sustainability. Hence, a change is needed in the way research software development and maintenance are currently motivated, incentivized, funded, structurally and infrastructurally supported, and legally treated. Failing to do so will threaten the quality and validity of research. In this paper, we identify challenges for research software sustainability in Germany and beyond, in terms of motivation, selection, research software engineering personnel, funding, infrastructure, and legal aspects. Besides researchers, we specifically address political and academic decision-makers to increase awareness of the importance and needs of sustainable research software practices. In particular, we recommend strategies and measures to create an environment for sustainable research software, with the ultimate goal to ensure that software-driven research is valid, reproducible and sustainable, and that software is recognized as a first class citizen in research. This paper is the outcome of two workshops run in Germany in 2019, at deRSE19 - the first International Conference of Research Software Engineers in Germany - and a dedicated DFG-supported follow-up workshop in Berlin. Copyright © 2020, The Authors. All rights reserved.

关键词： Software design

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Optical force-induced nonlinearity and self-guiding of light in human red blood cell suspensions

arXiv

引用

arXiv 2019年

作者： Gautam, Rekha Xiang, Yinxiao Lamstein, Josh Liang, Yi Bezryadina, Anna Liang, Guo Hansson, Tobias Wetzel, Benjamin Preece, Daryl White, Adam Silverman, Matthew Kazarian, Susan Xu, Jingjun Morandotti, Roberto Chen, Zhigang Department of Physics and Astronomy San Francisco State University San FranciscoCA94132 United States Department of Biomedical Engineering Vanderbilt University NashvilleTN37240 United States MOE Key Lab of Weak-Light Nonlinear Photonics TEDA Applied Physics Institute School of Physics Nankai University Tianjin300457 China Guangxi Key Lab for Relativistic Astrophysics Guangxi Colleges Universities Key Lab of Novel Energy Materials and Related Technology School of Physical Science and Technology Guangxi University Nanning Guangxi530004 China Department of Physics and Astronomy California State University Northridge NorthridgeCA91330 United States Institut National de la Recherche Scientifique Université du Québec VarennesQCJ3X 1S2 Canada Department of Physics Chemistry and Biology Linköping University LinköpingSE-581 83 Sweden School of Mathematical and Physical Sciences University of Sussex Sussex House Falmer BrightonBN1 9RH United Kingdom Department of Biomedical Engineering University of California Irvine IrvineCA United States Clinical Laboratory Science Program San Francisco State University San FranciscoCA94132 United States Institute of Fundamental and Frontier Sciences University of Electronic Science and Tech. of China Chengdu610054 China ITMO University Saint Petersburg197101 Russia

Osmotic conditions play an important role in the cell properties of human red blood cells (RBCs), which are crucial for the pathological analysis of some blood diseases such as malaria. Over the past decades, numerous efforts have mainly focused on the study of the RBC biomechanical properties that arise from the unique deformability of erythrocytes. Here, we demonstrate nonlinear optical effects from human RBCs suspended in different osmotic solutions. Specifically, we observe self-trapping and scattering-resistant nonlinear propagation of a laser beam through RBC suspensions under all three osmotic conditions, where the strength of the optical nonlinearity increases with osmotic pressure on the cells. This tunable nonlinearity is attributed to optical forces, particularly the forward scattering and gradient forces. Interestingly, in aged blood samples (with lysed cells), a notably different nonlinear behavior is observed due to the presence of free hemoglobin. We use a theoretical model with an optical force-mediated nonlocal nonlinearity to explain the experimental observations. Our work on light self-guiding through scattering bio-soft-matter may introduce new photonic tools for noninvasive biomedical imaging and medical diagnosis. Copyright © 2019, The Authors. All rights reserved.

关键词： Nonlinear optics

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First-principles analysis of solute diffusion in dilute bcc Fe-X alloys

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Physical Review B 2017年第9期96卷 094105-094105页

作者： C. D. Versteylen N. H. van Dijk M. H. F. Sluiter Fundamental Aspects of Materials and Energy Faculty of Applied Sciences Delft University of Technology Mekelweg 15 2629 JB Delft The Netherlands Virtual Materials and Mechanics Department of Materials Science and Engineering Delft University of Technology Mekelweg 2 2628 CD Delft The Netherlands

The diffusivities of substitutional impurity elements in iron have been computed with ab inito electronic density functional techniques, using exchange-correlation functional PW91. Excess entropies and the attempt frequency for a jump were determined by calculating phonon frequencies in the harmonic approximation. The influence of the degree of spontaneous magnetization on diffusivity is taken into account by means of the Girifalco model. The activation energy for diffusion has been determined by computing the vacancy formation energy, impurity-vacancy binding energies, migration barrier energies, and the effective energy associated with correlation of vacancy-mediated jump. For each type of impurity atom these contributions have been evaluated and analyzed up to and including the fifth nearest-neighbor shell of the impurity atom. It is found that impurities that have a low migration energy tend to have high effective energy associated with vacancy migration correlation, and vice versa, so that the total diffusion activation energies for all impurities are surprisingly close to each other. The strong effect of vacancy migration correlation is found to be associated with the high migration energy for iron self-diffusion, so that movement of vacancies through the iron bulk is in all cases, except cobalt, the limiting factor for impurity diffusion. The diffusivities calculated with the PW91 functional show good agreement with most of the experimental data for a wide range of elements.

关键词： Diffusion Solid solutions Transition metal alloys Density functional calculations

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