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The Journal of Supercritical Fluids 2021年 171卷

作者： Mohammadreza Nofar Bige Batı Emine Büşra Küçük Amirjalal Jalali Metallurgical & Materials Engineering Department Faculty of Chemical and Metallurgical Engineering Istanbul Technical University Maslak Istanbul 34469 Turkey Polymer Science and Technology Program Istanbul Technical University Maslak Istanbul 34469 Turkey Microcellular Plastics Manufacturing Laboratory Department of Mechanical and Industrial Engineering University of Toronto Toronto Ontario M5S 3G8 Canada

OPTIMADE, an API for exchanging materials data

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arXiv 2021年

作者： Andersen, Casper W. Armiento, Rickard Blokhin, Evgeny Conduit, Gareth J. Dwaraknath, Shyam Evans, Matthew L. Fekete, Ádám Gopakumar, Abhijith Gražulis, Saulius Merkys, Andrius Mohamed, Fawzi Oses, Corey Pizzi, Giovanni Rignanese, Gian-Marco Scheidgen, Markus Talirz, Leopold Toher, Cormac Winston, Donald Aversa, Rossella Choudhary, Kamal Colinet, Pauline Curtarolo, Stefano Di Stefano, Davide Draxl, Claudia Er, Suleyman Esters, Marco Fornari, Marco Giantomassi, Matteo Govoni, Marco Hautier, Geoffroy Hegde, Vinay Horton, Matthew K. Huck, Patrick Huhs, Georg Hummelshøj, Jens Kariryaa, Ankit Kozinsky, Boris Kumbhar, Snehal Liu, Mohan Marzari, Nicola Morris, Andrew J. Mostofi, Arash A. Persson, Kristin A. Petretto, Guido Purcell, Thomas Ricci, Francesco Rose, Frisco Scheffler, Matthias Speckhard, Daniel Uhrin, Martin Vaitkus, Antanas Villars, Pierre Waroquiers, David Wolverton, Chris Wu, Michael Yang, Xiaoyu École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Materials Design and Informatics Unit Department of Physics Chemistry and Biology Linköping University Sweden Tilde Materials Informatics Straßmannstraße 25 Berlin10249 Germany Materials Platform for Data Science Sepapaja 6 Tallinn15551 Estonia Theory of Condensed Matter Group Cavendish Laboratory 19 J.J. Thomson Avenue CambridgeCB3 0HE United Kingdom Lawrence Berkeley Labs BerkeleyCA United States Chemin des Étoiles 8 Louvain-la-Neuve1348 Belgium Department of Physics King's College London London United Kingdom Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Institute of Biotechnology Life Science Center Vilnius University Saulétekio av. 7 VilniusLT-10257 Lithuania Institute of Computer Science Faculty of Mathematics and Informatics Vilnius University Naugarduko g. 24 VilniusLT-03225 Lithuania Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6 Berlin14195 Germany Center for Autonomous Materials Design Duke University DurhamNC27708 United States Department of Mechanical Engineering and Materials Science Duke University DurhamNC27708 United States Humboldt-Universität zu Berlin Institut für Physik and IRIS Adlershof Berlin12489 Germany École Polytechnique Fédérale de Lausanne Sion1951 Switzerland Trieste34136 Italy Hermann-von-Helmholtz-Platz 1 Eggenstein-Leopoldshafen76344 Germany Materials Measurement Laboratory National Institute of Standards and Technology GaithersburgMD20899 United States Ansys 300 Rustat House 62 Clifton Rd CambridgeCB1 7EG United Kingdom De Zaale 20 Eindhoven5612 AJ Netherlands Department of Physics and Science of Advanced Materials Program Central Michigan University Mount PleasantMI48859 United States Argonne National Laboratory LemontIL60439 United States Thayer School of Engineering Dartmouth College HanoverNH03755 United States Los AltosCA940

The Open Databases Integration for materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification. © 2021, CC BY.

关键词： Specifications

Seebeck coefficient in a cuprate superconductor: Particle-hole asymmetry in the strange metal phase and Fermi surface transformation in the pseudogap phase

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arXiv 2021年

作者： Gourgout, A. Grissonnanche, G. Laliberté, F. Ataei, A. Chen, L. Verret, S. Zhou, J.-S. Mravlje, J. Georges, A. Doiron-Leyraud, N. Taillefer, Louis Institut Quantique Département de physique and RQMP Université de Sherbrooke SherbrookeQC Canada Laboratory of Atomic and Solid State Physics Cornell University IthacaNY United States Kavli Institute at Cornell for Nanoscale Science IthacaNY United States Materials Science and Engineering Program/Mechanical Engineering University of Texas - Austin AustinTX United States Department of Theoretical Physics Institute Jožef Stefan Ljubljana Slovenia Collège de France 11 place Marcelin Berthelot Paris France Center for Computational Quantum Physics Flatiron Institute New YorkNY United States CPHT CNRS Ecole Polytechnique IP Paris Palaiseau France DQMP Université de Genève Geneva Switzerland Canadian Institute for Advanced Research TorontoON Canada

We report measurements of the Seebeck effect in both the ab plane (Sa) and along the c axis (Sc) of the cuprate superconductor La1:6-xNd0:4SrxCuO4(Nd-LSCO), performed in magnetic fields large enough to suppress superconductivity down to low temperature. We use the Seebeck coefficient as a probe of the particle-hole asymmetry of the electronic structure across the pseudogap critical doping p∗ = 0:23. Outside the pseudogap phase, at p = 0:24 > p∗, we observe a positive and essentially isotropic Seebeck coefficient as T → 0. That S > 0 at p = 0:24 is at odds with expectations given the electronic band structure of Nd-LSCO above p∗ and its known electron-like Fermi surface. We can reconcile this observation by invoking an energy-dependent scattering rate with a particle-hole asymmetry, possibly rooted in the non-Fermi liquid nature of cuprates just above p∗. Inside the pseudogap phase, for p Copyright © 2021, The Authors. All rights reserved.

关键词： Electronic structure

Unifying femtosecond and picosecond single-pulse magnetic switching in GdFeCo

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arXiv 2020年

作者： Jakobs, F. Ostler, T.A. Lambert, C.-H. Yang, Y. Salahuddin, S. Wilson, R.B. Gorchon, J. Bokor, J. Atxitia, U. Dahlem Center for Complex Quantum Systems and Fachbereich Physik Freie Universität Berlin Berlin14195 Germany LiégeB-4000 Belgium College of Business Technology and Engineering Sheffield Hallam University Howard Street SheffieldS1 1WB United Kingdom Department of Electrical Engineering and Computer Sciences University of California BerkeleyCA94720 United States Department of Materials Science and Engineering University of California BerkeleyCA94720 United States Lawrence Berkeley National Laboratory 1 Cyclotron Road BerkeleyCA94720 United States Department of Mechanical Engineering and Materials Science and Engineering Program University of California RiversideCA92521 United States ETH Zurich Hönggerbergring 64 Zürich8093 Switzerland Portland Technology Development Department Intel Corp. HillsboroOR97006 United States Universite de Lorraine CNRS IJL NancyF-54000 France

Many questions are still open regarding the physical mechanisms behind the magnetic switching in GdFeCo alloys by single optical pulses. Phenomenological models suggest a femtosecond scale exchange relaxation between sublattice magnetization as the driving mechanism for switching. The recent observation of thermally induced switching in GdFeCo by using both several picosecond optical laser pulse as well as electric current pulses has questioned this previous understanding. This has raised the question of whether or not the same switching mechanics are acting at the femoand picosecond scales. In this work, we aim at filling this gap in the understanding of the switching mechanisms behind thermal single-pulse switching. To that end, we have studied experimentally thermal single-pulse switching in GdFeCo alloys, for a wide range of system parameters, such as composition, laser power and pulse duration. We provide a quantitative description of the switching dynamics using atomistic spin dynamics methods with excellent agreement between the model and our experiments across a wide range of parameters and timescales, ranging from femtoseconds to picoseconds. Furthermore, we find distinct element-specific damping parameters as a key ingredient for switching with long picosecond pulses and argue, that switching with pulse durations as long as 15 picoseconds is possible due to a low damping constant of Gd. Our findings can be easily extended to speed up dynamics in other contexts where ferrimagnetic GdFeCo alloys have been already demonstrated to show fast and energy-efficient processes, e.g. domain-wall motion in a track and spin-orbit torque switching in spintronics devices. Copyright © 2020, The Authors. All rights reserved.

关键词： Ternary alloys

Retraction notice to "Pyrolysis: An effective technique for degradation of COVID-19 medical wastes" [Chemosphere 275 (2021) 130092]

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Chemosphere 2025年 370卷 143824页

作者： Selvakumar Dharmaraj Veeramuthu Ashokkumar Rajesh Pandiyan Heli Siti Halimatul Munawaroh Kit Wayne Chew Wei-Hsin Chen Chawalit Ngamcharussrivichai (Deemed to be University) Chennai 603112 Tamil Nadu India. Center of Excellence in Catalysis for Bioenergy and Renewable Chemicals (CBRC) Faculty of Science Chulalongkorn University Bangkok 10330 Thailand. Department of Biochemistry Karpagam Academy of Higher Education (formerly Karpagam University) Pollachi Main Road Eachanari Post Coimbatore Tamil Nadu India. Chemistry Study Program Department of Chemistry Education Faculty of Mathematics and Science Education Universitas Pendidikan Indonesia Jl. Dr. Setiabudhi 229 Bandung 40154 Indonesia. School of Energy and Chemical Engineering Xiamen University Malaysia Jalan Sunsuria Bandar Sunsuria 43900 Sepang Selangor Malaysia College of Chemistry and Chemical Engineering Xiamen University Xiamen 361005 Fujian China. Department of Aeronautics and Astronautics National Cheng Kung University Tainan 701 Taiwan Research Center for Smart Sustainable Circular Economy Tunghai University Taichung 407 Taiwan Department of Mechanical Engineering National Chin-Yi University of Technology Taichung 411 Taiwan. Center of Excellence in Catalysis for Bioenergy and Renewable Chemicals (CBRC) Faculty of Science Chulalongkorn University Bangkok 10330 Thailand Center of Excellence on Petrochemical and Materials Technology (PETROMAT) Chulalongkorn University Pathumwan Bangkok 10330 Thailand.

Current-Rate Flash Sintering of Doped Ceria: Microstructure and Defect Generation

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SSRN

SSRN 2019年

作者： Mishra, Tarini Prasad Neto, Rubens Roberto Ingraci Raj, Rishi Guillon, Olivier Bram, Martin Forschungszentrum Jülich GmbH Jülich52425 Germany Materials Science and Engineering Program Department of Mechanical Engineering University of Colorado Boulder BoulderCO United States Jülich Aachen Research Alliance JARA-Energy Germany

In current-rate flash sintering the current is injected into the specimen and then increased at constant rate, while the furnace is held at a constant temperature. The flash is induced at low current densities which to some extent obviates the reduction of the ceramic at the cathode. It leads to uniform density and microstructure across the entire gage length of the dog-bone specimen. This work pertains to 10 mol.% gadolinium-doped ceria flash sintered at current-rates ranging from 50 mA min-1 to 1000 mA min-1 at a furnace temperature of 680 °C. Densification is shown to depend on the instantaneous value of the current density, regardless of the current-rate. The grain size, however, is shown to become finer at higher current-rates. A preliminary analysis of the "energy deficit", that is, the difference between the temperature predicted by the black body radiation model and the temperature measured with the pyrometer, estimates that huge concentrations of defects may be introduced in the flash process. © 2019, The Authors. All rights reserved.

关键词： Microstructure

Self-assembled periodic nanostructures using martensitic phase transformations

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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

Thermal properties of the binary-filler composites with few-layer graphene and copper nanoparticles

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arXiv 2019年

作者： Barani, Zahra Mohammadzadeh, Amirmahdi Geremew, Adane Huang, Chun Yu Tammy Coleman, Devin Mangolini, Lorenzo Kargar, Fariborz Balandin, Alexander A. Department of Electrical and Computer Engineering Bourns College of Engineering University of California RiversideCA92521 United States Center University of California RiversideCA92521 United States Materials Science and Engineering Program Bourns College of Engineering University of California Riverside92521 United States Department of Mechanical Engineering Bourns College of Engineering University of California Riverside92521 United States

The thermal properties of an epoxy-based binary composites comprised of graphene and copper nanoparticles are reported. It is found that the gsynergistich filler effect, revealed as a strong enhancement of the thermal conductivity of composites with the size-dissimilar fillers, has a well-defined filler loading threshold. The thermal conductivity of composites with a moderate graphene concentration of fg=15 wt% exhibits an abrupt increase as the loading of copper nanoparticles approaches fg~40 wt%, followed by saturation. The effect is attributed to intercalation of spherical copper nanoparticles between the large graphene flakes, resulting in formation of the highly thermally conductive percolation network. In contrast, in composites with a high graphene concentration, fg=40 wt%, the thermal conductivity increases linearly with addition of copper nanoparticles. The electrical percolation is observed at low graphene loading, fg Copyright © 2019, The Authors. All rights reserved.

关键词： Thermal conductivity

Densification of single-walled carbon nanotube films: Mesoscopic distinct element method simulations and experimental validation

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arXiv 2020年

作者： Drozdov, Grigorii Ostanin, Igor Xu, Hao Wang, Yuezhou Dumitrică, Traian Grebenko, Artem Tsapenko, Alexey P. Gladush, Yuriy Ermolaev, Georgy Volkov, Valentyn S. Eibl, Sebastian Rüde, Ulrich Nasibulin, Albert G. Scientific Computation Program University of Minnesota Twin CitiesMN55455 United States Multi-Scale Mechanics Faculty of Engineering Technology MESA+ University of Twente Enschede7500 AE Netherlands Skolkovo Institute of Science and Technology Nobel St. 3 Moscow Russia Department of Aerospace Engineering and Mechanics University of Minnesota Twin CitiesMN55455 United States Integrated Engineering Minnesota State University MankatoMN56001 United States Department of Mechanical Engineering University of Minnesota Twin CitiesMN55455 United States Moscow Institute of Physics and Technology Institute Lane 9 Dolgoprudniy Russia Department of Applied Physics Aalto University School of Science AaltoFI-00076 Finland Center for Photonics and 2D Materials Moscow Institute of Physics and Technology Dolgoprudny141700 Russia Friedrich-Alexander University Erlangen-Nuremberg Cauerstr.11 Erlangen91052 Germany Aalto University Department of Materials Science and Engineering Aalto00076 Finland

Nanometer thin single-walled carbon nanotube (CNT) films collected from the aerosol chemical deposition reactors have gathered attention for their promising applications. Densification of these pristine films provides an important way to manipulate the mechanical, electronic, and optical properties. To elucidate the underlying microstructural level restructuring, which is ultimately responsible for the change in properties, we perform large scale vector-based mesoscopic distinct element method simulations in conjunction with electron microscopy and spectroscopic ellipsometry characterization of pristine and densified films by drop-cast volatile liquid processing. Matching the microscopy observations, pristine CNT films with finite thickness are modeled as self-assembled CNT networks comprising entangled dendritic bundles with branches extending down to individual CNTs. Simulations of the film under uniaxial compression uncover an ultra-soft densification regime extending to a ~75% strain, which is likely accessible with the surface tensional forces arising from liquid surface tension during the evaporation. When removing the loads, the pre-compressed samples evolve into homogeneously densified films with thickness values depending on both the pre-compression level and the sample microstructure. The significant reduction in thickness, confirmed by our spectroscopic ellipsometry, is attributed to the underlying structural changes occurring at the 100 nm scale, including the zipping of the thinnest dendritic branches. Copyright © 2020, The Authors. All rights reserved.

关键词： Carbon films

Microscopic mechanism of van der Waals heteroepitaxy in the formation of MoS2/hBN vertical heterostructures

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arXiv 2020年

作者： Okada, Mitsuhiro Maruyama, Mina Okada, Susumu Warner, Jamie H. Kureishi, Yusuke Uchiyama, Yosuke Taniguchi, Takashi Watanabe, Kenji Shimizu, Tetsuo Kubo, Toshitaka Shinohara, Hisanori Kitaura, Ryo Tsukuba Ibaraki305-8565 Japan Graduate School of Pure and Applied Sciences University of Tsukuba Tsukuba Ibaraki305-8571 Japan Walker Department of Mechanical Engineering University of Texas at Austin 204 East Dean Keeton Street AustinTX78712 United States Materials Graduate Program Texas Materials Institute University of Texas at Austin 204 East Dean Keeton Street AustinTX78712 United States Department of Chemistry Nagoya University Nagoya Aichi464-8602 Japan International Center for Materials Nanoarchitectonics National Institute for Materials Science Tsukuba Ibaraki305-0044 Japan Research Center for Functional Materials National Institute for Materials Science Tsukuba Ibaraki305-0044 Japan

Recent works have revealed that van der Waals (vdW) heteroepitaxial growth of 2D materials on crystalline substrates, such as hexagonal boron nitride (hBN), leads to formation of self-aligned grains, which results in defect-free stitching between the grains. However, how the weak vdW interaction causes strong limitation on crystal orientation of grains is still not understood yet. In this work, we have focused on investigation of microscopic mechanism of self-alignment of MoS2 grains in vdW epitaxial growth on hBN. Through calculation based on density functional theory and the Lennard-Jones potential, we found that interlayer energy between MoS2 and hBN strongly depends both on size and crystal orientation of MoS2. We also found that, when size of MoS2 is ca. 40 nm, rotational energy barrier can exceed ~ 1 eV, which should suppress rotation to align crystal orientation of MoS2 even at growth temperature. Copyright © 2020, The Authors. All rights reserved.

关键词： Van der Waals forces