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arXiv 2020年

作者： Prakash, Abhinav Wang, Tianqi Bucsek, Ashley Truttmann, Tristan K. Fali, Alireza Cotrufo, Michele Yun, Hwanhui Kim, Jong-Woo Ryan, Philip J. Mkhoyan, K. Andre Alù, Andrea Abate, Yohannes James, Richard D. Jalan, Bharat Department of Chemical Engineering and Materials Science University of Minnesota – Twin Cities MinneapolisMN55455 United States Department of Aerospace Engineering and Mechanics University of Minnesota – Twin Cities MinneapolisMN55455 United States Department of Mechanical Engineering University of Michigan Ann ArborMI48109 United States Department of Physics and Astronomy University of Georgia AthensGA30602 United States Photonics Initiative Advanced Science Research Center City University of New York NY10031 United States Advanced Photon Source Argonne National Laboratory ArgonneIL60439 United States Physics Program Graduate Center City University of New York New YorkNY10016 United States

We describe a novel approach for the rational design and synthesis of self-assembled periodic nanostructures using martensitic phase transformations. We demonstrate this approach in a thin film of perovskite SrSnO3 with reconfigurable periodic nanostructures consisting of regularly spaced regions of sharply contrasted dielectric properties. The films can be designed to have different periodicities and relative phase fractions via chemical doping or strain engineering. The dielectric contrast within a single film can be tuned using temperature and laser wavelength, effectively creating a variable photonic crystal. Our results show the realistic possibility of designing large-area self-assembled periodic structures using martensitic phase transformations with the potential of implementing "built-to-order" nanostructures for tailored optoelectronic functionalities. Copyright © 2020, The Authors. All rights reserved.

关键词： Thin films

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Effect of intrinsic structural defects on mechanical properties of single layer MoS ₂

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Nano-Structures and Nano-Objects 2019年 18卷

作者： Mahata, Avik Jiang, Jin-Wu Mahapatra, D. Roy Rabczuk, Timon Aerospace Engineering Indian Institute of Science Bangalore 560012 Karnataka India Shanghai Institute of Applied Mathematics and Mechanics Shanghai Key Laboratory of Mechanics in Energy Engineering Shanghai University Shanghai 200072 China Institute of Structural Mechanics Bauhaus Universität Weimar Marienstr 15 Weimar D-99423 Germany Department of Materials Science and Engineering Missouri University of Science and Technology Rolla MO United States

In this paper, the mechanical properties of single layer Molybdenum disulfide (SLMoS 2 ) containing point defects, such as vacancies, or extra Sulfur (S) or Molybdenum (Mo) atoms are investigated by molecular dynamics... 详细信息

In this paper, the mechanical properties of single layer Molybdenum disulfide (SLMoS ₂ ) containing point defects, such as vacancies, or extra Sulfur (S) or Molybdenum (Mo) atoms are investigated by molecular dynamics (MD) simulations. It was found that the single S vacancy is most probable as the formation energy is the lowest among all point defects. Other antisite defects having a Mo atom replaced by two S atoms are the least possible ones. The structures of antisite defects are also unstable. The Young's modulus of planner SLMoS ₂ with defect is found to be within the scatter margin of pristine MoS ₂ sheet (without defects). The effect of temperature on each type of defect has been studied and it is found that strength is more affected by vacancies than it is by phase transition. © 2019 Elsevier B.V.

关键词： Molecular dynamics Phase transition Single layer Molybdenum disulfide Vacancy defects Yield stress

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Transverse ultrafast laser inscription in bulk silicon

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Physical Review Research 2021年第4期3卷 043037-043037页

作者： M. Chambonneau M. Blothe Q. Li V. Yu. Fedorov T. Heuermann M. Gebhardt C. Gaida S. Tertelmann F. Sotier J. Limpert S. Tzortzakis S. Nolte Institute of Applied Physics Abbe Center of Photonics Friedrich Schiller University Jena Albert-Einstein-Straße 15 07745 Jena Germany Science Program Texas A&M University at Qatar P.O. Box 23874 Doha Qatar P. N. Lebedev Physical Institute of the Russian Academy of Sciences 53 Leninskiy Prospekt 119991 Moscow Russia Helmholtz-Institute Jena Fröbelstieg 3 07743 Jena Germany Active Fiber Systems GmbH Ernst-Ruska-Ring 17 07745 Jena Germany Innolas Photonics GmbH Justus-von-Liebig-Ring 8 82152 Krailling Germany Fraunhofer Institute for Applied Optics and Precision Engineering IOF Center of Excellence in Photonics Albert-Einstein-Straße 7 07745 Jena Germany Institute of Electronic Structure and Laser (IESL) Foundation for Research and Technology–Hellas (FORTH) P.O. Box 1527 GR-71110 Heraklion Greece Materials Science and Technology Department University of Crete 71003 Heraklion Greece

In-volume ultrafast laser direct writing of silicon is generally limited by strong nonlinear propagation effects preventing the production of modifications. By using advantageous spectral, temporal, and spatial conditions, we demonstrate that modifications can be repeatably produced inside silicon. Our approach relies on irradiation at ≈2 μm wavelength with temporally distorted femtosecond pulses. These pulses are focused in a way that spherical aberrations of different origins mutually balance, as predicted by point spread function analyses and in good agreement with nonlinear propagation simulations. We also establish the laws governing modification growth on a pulse-to-pulse basis, which allows us to demonstrate transverse inscription inside silicon with various line morphologies depending on the irradiation conditions. We finally show that the production of single-pulse repeatable modifications is a necessary condition for reliable transverse inscription inside silicon.

关键词： Classical optics Light-matter interaction Multiphoton or tunneling ionization & excitation Nonlinear optics Optical transient phenomena Optics & lasers Photonics Plasma ionization Ultrafast phenomena

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Evolutionary Algorithm Optimization of Staggered Biological or Biomimetic Composites Using the Random Fuse Model

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Physical Review applied 2020年第3期13卷 034049-034049页

作者： Gianluca Costagliola Roberto Guarino Federico Bosia Konstantinos Gkagkas Nicola M. Pugno Department of Physics University of Torino Via Pietro Giuria 1 Torino 10125 Italy École Polytechnique Fédérale de Lausanne (EPFL) Swiss Plasma Center (SPC) Villigen PSI CH-5232 Switzerland Department of Applied Science and Technology (DISAT) Politecnico di Torino C.so Duca degli Abruzzi 24 Torino 10129 Italy Advanced Material Research Division Toyota Motor Europe NV/SA Hoge Wei 33B Zaventem 1930 Belgium Laboratory of Bio-Inspired Bionic Nano Meta Materials & Mechanics Department of Civil Environmental and Mechanical Engineering University of Trento Via Mesiano 77 Trento 38123 Italy School of Engineering and Materials Science Queen Mary University of London Mile End Road London E1 4NS United Kingdom Ket Lab Edoardo Amaldi Foundation Via del Politecnico snc Rome 00133 Italy

In Nature, biological materials such as nacre, bone, and dentin display an enhanced mechanical strength due to their structure characterized by hard inclusions embedded in a soft matrix. This structure has inspired the design of artificial materials with optimized properties. Thus, for given the mechanical properties of matrix and inclusions, it is fundamental to understand how the global observables, essentially strength, and ultimate strain are determined by the geometrical parameters of the inclusions. In this paper, we address this question by extending the two-dimensional random fuse model, which has been widely used to extract statistical properties of fracture processes, to the case of staggered stiff inclusions. We thus investigate numerically how emergent mechanical properties can be optimized by tuning geometrical dimensions and the arrangement of the inclusions. To do this, we adopt an optimization procedure based on an evolutionary algorithm to efficiently explore the parameter space and to determine the most favorable geometrical features of the inclusions for improved strength or ductility, or both. Various lattice sizes and volume fractions are considered. Depending on inclusion sizes and aspect ratios, composite strength or ultimate strain can be maximized, with the Pareto front for simultaneous optimization of the two being interpolated by a simple power law. Characteristic exponents for damage avalanche distributions are found to vary with respect to homogeneous structures, indicating increased fracture ductility simply due to optimized geometrical features. Our study indicates the possibility through structural optimization of creating staggered composites that allow significant advantages in terms of weight reduction and fuel consumption in automotive applications.

关键词： Biomimetic & bio-inspired materials Fracture Mechanical & acoustical properties Optimization problems Structural properties Composite materials Genetic algorithm Statistical methods

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Mechanistic Modeling and Multiscale Applications for Precision Medicine: Theory and Practice

Network and Systems Medicine

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Network and Systems Medicine 2020年第1期3卷 36-56页

作者： Stalidzans, Egils Zanin, Massimiliano Tieri, Paolo Castiglione, Filippo Polster, Annikka Scheiner, Stefan Pahle, Jürgen Stres, Blaž List, Markus Baumbach, Jan Lautizi, Manuela Van Steen, Kristel Schmidt, Harald H.H.W. Computational Systems Biology Group University of Latvia Riga Latvia Latvian Biomedical Reasearch and Study Centre Riga Latvia Centro de Tecnología Biomédica Universidad Politécnica de Madrid Pozuelo de Alarcón Spain CNR National Research Council IAC Institute for Applied Computing Rome Italy Oslo Norway Institute for Mechanics of Materials and Structures Vienna University of Technology Vienna Austria BioQuant Heidelberg University Heidelberg Germany Department of Animal Science University of Ljubljana Ljubljana Slovenia Faculty of Civil and Geodetic Engineering University of Ljubljana Ljubljana Slovenia Department of Automation Biocybernetics and Robotics Jozef Stefan Institute Ljubljana Slovenia Big Data in BioMedicine Research Group Chair of Experimental Bioinformatics TUM School of Weihenstephan Technical University of Munich Freising Germany Chair of Experimental Bioinformatics TUM School of Weihenstephan Technical University of Munich Freising Germany Computational Systems Medicine Research Group Chair of Experimental Bioinformatics TUM School of Weihenstephan Technical University of Munich Freising Germany BIO-Systems Genetics GIGA-R University of Liège Liège Belgium BIO3 - Systems Medicine Department of Human Genetics KU Leuven Leuven Belgium Department of Pharmacology and Personalised Medicine Faculty of Health Medicine and Life Science Maastricht University Maastricht Netherlands

Drug research, therapy development, and other areas of pharmacology and medicine can benefit from simulations and optimization of mathematical models that contain a mathematical description of interactions between systems elements at the cellular, tissue, organ, body, and population level. This approach is the foundation of systems medicine and precision medicine. Here, simulated experiments are performed with computers (in silico) first, and they are then replicated through lab experiments (in vivo or in vitro) or clinical studies. In turn, these experiments and studies can be used to validate or improve the models. This iterative loop of dry and wet lab work is successful when biomedical researchers tightly collaborate with data scientists and modelers. From an educational point of view, the interdisciplinary research in systems biology can be sustained most effectively when specialists have been trained to have both a strong background in the disciplines of biology or modeling and strong communication skills, which make them able to communicate with other specialists. This overview addresses possible interdisciplinary communication gaps. Focusing our attention on biomedical researchers, we describe the reasons for using modeling and ways to collaborate with modelers, including their needs for specific biological expertise and data. This review includes an introduction to the principles of several widely used mechanistic modeling methods, focusing on their areas of applicability as well as their limitations. A potential complementary role of machine-learning methods in the development of mechanistic models is also discussed. The descriptions of the methods also include links to corresponding modeling software tools as well as practical examples of their application. Finally, we also explicitly address different aspects of multiscale modeling approaches that allow a more complete and holistic perspective of the human body. © Egils Stalidzans et al. 2020 Published b

关键词： Iterative methods

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Cover Feature: Design of a Metal–Organic Framework-Derived Co9S8/S Material for Achieving High Durability and High Performance of Lithium–Sulfur Batteries (ChemElectroChem 16/2021)

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ChemElectroChem 2021年第16期8卷

作者： Arif I. Inamdar Nahid Kaisar Saqib Kamal Tzuoo-Tsair Luo Prof. Dr. Shyankay Jou Prof. Dr. Chih-Wei Chu Prof. Dr. Ming-Hsi Chiang Prof. Dr. Kuang-Lieh Lu Institute of Chemistry Academia Sinica 115 Taipei Taiwan Department of Applied Chemistry National Yang Ming Chiao Tung University 300 Hsinchu Taiwan Sustainable Chemical Science and Technology Taiwan International Graduate Program Institute of Chemistry Academia Sinica 115 Taipei Taiwan Department of Materials Science and Engineering National Taiwan University of Science and Technology 106 Taipei Taiwan Research Center for Applied Sciences Academia Sinica 115 Taipei Taiwan Molecular Science and Technology Taiwan International Graduate Program Institute of Atomic and Molecular Science Academia Sinica 115 Taipei Taiwan Department of Chemistry Fu Jen Catholic University 242 New Taipei City Taiwan Department of Chemistry National Tsing Hua University 300 Hsinchu Taiwan Department of Medicinal and Applied Chemistry Kaohsiung Medical University 807 Kaohsiung Taiwan

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Local ultra-densification of single-walled carbon nanotube films: modeling and experiment

arXiv

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arXiv 2022年

作者： Grebenko, Artem K. Drozdov, Grigorii Gladush, Yuriy G. Ostanin, Igor Zhukov, Sergey S. Melentyev, Aleksandr V. Khabushev, Eldar M. Tsapenko, Alexey P. Krasnikov, Dmitry V. Afinogenov, Boris Temiryazev, Alexei G. Dremov, Viacheslav V. Dumitricã, Traian Li, Mengjun Hijazi, Hussein Podzorov, Vitaly Feldman, Leonard C. Nasibulin, Albert G. Skolkovo Institute of Science and Technology Nobel str. 3 Moscow121205 Russia Center for Photonics and 2D Materials Moscow Institute of Physics and Technology Institute Lane 9 Dolgoprudny Russia Scientific Computation Program University of Minnesota Minneapolis55455 United States University of Twente PO Box 217 Enschede7500 AE Netherlands Aalto University Department of Applied Physics Puumiehenkuja 2 EspooFI-00076 Finland Faculty of Physics Lomonosov Moscow State University Leninskie gory 1 Moscow Russia Kotel'nikov Institute of Radioengineering and Electronics of RAS Fryazino Branch Vvedensky Sq. 1 Fryazino Russia Russian Quantum Center Bolshoy Boulevard Moscow30 s1 Russia Department of Mechanical Engineering University of Minnesota Minneapolis55455 United States Department of Physics Rutgers University PiscatawayNJ08854 United States Intel Corporation AlbuquerqueNM United States Aalto University P.O. Box 16100 AaltoFI-00076 Finland

Fabrication of nanostructured metasurfaces poses a significant technological and fundamental challenge. Despite developing novel systems that support reversible elongation and distortion, their nanoscale patterning and control of optical properties remain an open problem. Herein we report the atomic force microscope lithography (AFML) application for nanoscale patterning of single-walled carbon nanotube films and the associated reflection coefficient tuning. We present models of bundling reorganization, formed-pattern stability, and energy distribution describing mechanical behavior with mesoscopic distinct element method (MDEM). All observed and calculated phenomena support each other and present a platform for developing AFML patterned optical devices using meshy nanostructured matter. Copyright © 2022, The Authors. All rights reserved.

关键词： Carbon films

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

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Light(science & Applications) 2019年第1期8卷 927-935页

作者： Rekha Gautam Yinxiao Xiang Josh Lamstein Yi Liang Anna Bezryadina Guo Liang Tobias Hansson Benjamin Wetzel Daryl Preece Adam White Matthew Silverman Susan Kazarian Jingjun Xu Roberto Morandotti Zhigang Chen Department of Physics and Astronomy San Francisco State UniversitySan FranciscoCA 94132USA Department of Biomedical Engineering Vanderbilt UniversityNashvilleTN 37240USA MOE Key Lab of Weak-Light Nonlinear Photonics TEDA Applied Physics Institute and School of PhysicsNankai UniversityTianjin 300457China Guangxi Key Lab for Relativistic Astrophysics Guangxi Colleges and Universities Key Lab of Novel Energy Materials and Related TechnologySchool of Physical Science and TechnologyGuangxi UniversityNanningGuangxi 530004China Department of Physics and Astronomy California State University NorthridgeNorthridgeCA 91330USA Institut National de la Recherche Scientifique Universite du QuebecVarennesQC J3X 1S2Canada Department of Physics Chemistry and BiologyLinkoping UniversityLinkoping SE-58183Sweden School of Mathematical and Physical Sciences University of SussexSussex HouseFalmerBrighton BN19RHUK Department of Biomedical Engineering University of California IrvineIrvineCAUSA Clinical Laboratory Science Program San Francisco State UniversitySan FranciscoCA 94132USA Institute of Fundamental and Frontier Sciences University of Electronic Science and Tech.of ChinaChengdu 610054China ITMO University Saint Petersburg 197101Russia

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 *** the past decades,numerous efforts have mainly focused on the study of the RBC biomechanical properties that arise from the unique deformability of ***,we demonstrate nonlinear optical effects from human RBCs suspended in different osmotic ***,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 *** tunable nonlinearity is attributed to optical forces,particularly the forward-scattering and gradient ***,in aged blood samples(with lysed cells),a notably different nonlinear behavior is observed due to the presence of free *** use a theoretical model with an optical force-mediated nonlocal nonlinearity to explain the experimental *** work on light self-guiding through scattering biosoft-matter may introduce new photonic tools for noninvasive biomedical imaging and medical diagnosis.

关键词： nonlinearity suspensions nonlinear

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Local Ultra-Densification of Single-Walled Carbon Nanotube Films: Experiment and Mesoscopic Modeling

SSRN

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SSRN 2022年

作者： Grebenko, Artem K. Drozdov, Grigorii Gladush, Yuriy G. Ostanin, Igor Zhukov, Sergey S. Melentyev, Aleksandr V. Khabushev, Eldar M. Tsapenko, Alexey P. Krasnikov, Dmitry V. Afinogenov, Boris Temiryazev, Alexei G. Dremov, Viacheslav V. Dumitricã, Traian Li, Mengjun Hijazi, Hussein Podzorov, Vitaly Feldman, Leonard C. Nasibulin, Albert G. Skolkovo Institute of Science and Technology Nobel str. 3 Moscow121205 Russia Center for Photonics and 2D Materials Moscow Institute of Physics and Technology Institute Lane 9 Dolgoprudny Russia Scientific Computation Program University of Minnesota Minneapolis55455 United States University of Twente PO Box 217 Enschede7500 AE Netherlands Aalto University Department of Applied Physics Puumiehenkuja 2 EspooFI-00076 Finland Faculty of Physics Lomonosov Moscow State University Leninskie gory 1 Moscow Russia Kotel'nikov Institute of Radioengineering and Electronics of RAS Fryazino Branch Vvedensky Sq. 1 Fryazino Russia Russian Quantum Center Moscow121205 Russia Department of Mechanical Engineering University of Minnesota Minneapolis55455 United States Department of Physics Rutgers University PiscatawayNJ08854 United States Aalto University P.O. Box 16100 AaltoFI-00076 Finland Intel Corporation AlbuquerqueNM United States

Fabrication of nanostructured metasurfaces poses a significant technological and fundamental challenge. Despite developing novel material systems that support reversible elongation and distortion, their nanoscale patterning and control of optical properties remain an open problem. Herein we report the atomic force microscope lithography (AFML) application for nanoscale patterning of single-walled carbon nanotube films and the associated optical reflection coefficient tuning. Large scale mesoscopic distinct element method (MDEM) atomic force nanoindentation simulations of single-walled carbon nanotube samples comprising entangled dendritic nanotube bundles with branches extending down to individual tubes explain the mesoscale mechanism of local irreversible densification and further predict its impact on mechanical properties. All observed and calculated phenomena support each other and present a platform for developing AFML patterned optical devices using nanofibrous matter. © 2022, The Authors. All rights reserved.

关键词： Carbon films

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SOLVING THE INVERSE KNUDSEN PROBLEM: GAS DIFFUSION IN RANDOM FIBROUS MEDIA

arXiv

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arXiv 2020年

作者： Szmyt, Wojciech Guerra-Nunez, Carlos Dransfeld, Clemens Utke, Ivo Institute of Polymer Engineering FHNW University of Applied Sciences and Arts Northwestern Switzerland Klosterzelgstrasse 2 WindischCH 5210 Switzerland Laboratory for Micro- and Nanotechnology Paul Scherrer Institute Villigen PSICH 5232 Switzerland Department of Physics University of Basel Klingelbergstrasse 82 Basel4056 Switzerland Swiss Nanoscience Institute University of Basel Klingelbergstrasse 82 BaselCH 4056 Switzerland Mechanics of Materials and Nanostructures Laboratory EMPA Swiss Federal Laboratories for Material Science and Technology Feuerwerkerstrasse 39 ThunCH 3602 Switzerland Aerospace Manufacturing Technologies Delft University of Technology Kluyverweg 1 Delft2629 HS Netherlands Mechanics of Materials and Nanostructures Laboratory EMPA Swiss Federal Laboratories for Material Science and Technology Feuerwerkerstrasse 39 ThunCH 3602 Switzerland

About a century ago, Knudsen derived the groundbreaking theory of gas diffusion through straight pipes and holes, which since then found widespread application in innumerable fields of science and inspired the development of vacuum and related coating technologies, from academic research to numerous industrial sectors. Knudsen's theory can be straightforwardly applied to filter membranes with arrays of extended holes for example, however, for the inverse geometry arrangement, which arises when solid nanowires or fibers are arranged into porous interwoven material (like in carpets or brushes) the derivation of an analytical theory framework was still missing. In this paper, we have identified the specific geometric and thermodynamic parameters that determine the gas diffusion kinetics in arrays of randomly oriented cylinders and provide a set of analytical expressions allowing to comprehensively describe the gas transport in such structures. We confirmed analytical solutions by Monte Carlo simulations. We specify our findings for an atomic layer deposition process, the diffusion of trimethyaluminium molecules into a carbon nanotube array, but highlight the applicability of our derivation for other fields comprising gas diffusion membranes, composite materials, fuel cells and more. Copyright © 2020, The Authors. All rights reserved.

关键词： Gases

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