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Thermophysical Properties of PuO2 and AmO2 Solid Solutions Simulated by Molecular Dynamics

MRS Online Proceedings Library 2008年第1期1043卷 1-6页

作者： Tosawat Seetawan Thaweewat Khuangthip Vittaya Amornkitbamrung Ken Kurosaki Jun Adachi Masahito Katayama Anek Charoenphakdee Shinsuke Yamanaka Program of Physics Faculty of Science and Technology Sakon Nakhon Rajabhat University Sakon Thailand Integrated Nanotechnology Research Center and Departments of Physics Khon Kaen Thailand Division of Sustainable Energy and Environmental Engineering Graduate School of Osaka University Suita Japan

PuO2 and AmO2 solid solutions: (Pu, Am)O2 are one of the candidates of fuels in a sub-critical accelerator-driven system (ADS). To understand the fuel performance, the thermophysical properties such as thermal conductivity and heat capacity are quite important. However, it is very hard to experimentally determine the physical properties of plutonium as well as americium compounds due to their handling-difficulties. Molecular dynamics (MD) would be a specific method to describe the physical properties of such materials. In the present study, we have investigated thermophysical properties of PuO2, AmO2, and their solid solutions in the temperature range from 300 to 2,500 K. The lattice parameter, compressibility, heat capacity, linear thermal expansion coefficient, and thermal conductivity were evaluated. A Morse-type potential function added to the Busing-Ida type potential was employed as the potential for interatomic interactions. The calculated lattice parameters of (Pu, Am)O2 obeyed Vegard’s law, and the values increased with temperature. The heat capacities of (Pu, Am)O2 were similar in any compositions. The thermal conductivities of (Pu, Am)O2 were lower than those of PuO2 and AmO2, indicating that a point-defect scattering effect of phonons could be realized in the MD calculations.

关键词： composite oxide microstructure

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Time-dependent modelling of short-term variability in the TeV-blazar VER J0521+211 during the major flare in 2020

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Astronomy and Astrophysics 2025年 694卷

作者： MAGIC Collaboration Abe, S. Abhir, J. Abhishek, A. Acciari, V.A. Aguasca-Cabot, A. Agudo, I. Aniello, T. Ansoldi, S. Antonelli, L.A. Arbet Engels, A. Arcaro, C. Artero, M. Asano, K. Baack, D. Babić, A. Barres De Almeida, U. Barrio, J.A. Batković, I. Bautista, A. Baxter, J. Becerra González, J. Bednarek, W. Bernardini, E. Bernete, J. Berti, A. Besenrieder, J. Bigongiari, C. Biland, A. Blanch, O. Bonnoli, G. Bošnjak, Ž. Bronzini, E. Burelli, I. Campoy-Ordaz, A. Carosi, A. Carosi, R. Carretero-Castrillo, M. Castro-Tirado, A.J. Cerasole, D. Ceribella, G. Chai, Y. Cifuentes, A. Colombo, E. Contreras, J.L. Cortina, J. Covino, S. D'Amico, G. D'Elia, V. Da Vela, P. Dazzi, F. De Angelis, A. De Lotto, B. De Menezes, R. Delfino, M. Delgado, J. Delgado Mendez, C. Di Pierro, F. Di Tria, R. Di Venere, L. Dominis Prester, D. Donini, A. Dorner, D. Doro, M. Eisenberger, L. Elsaesser, D. Escudero, J. Fariña, L. Fattorini, A. Foffano, L. Font, L. Fröse, S. Fukami, S. Fukazawa, Y. García López, R.J. Garczarczyk, M. Gasparyan, S. Gaug, M. Giesbrecht Paiva, J.G. Giglietto, N. Giordano, F. Gliwny, P. Gradetzke, T. Grau, R. Green, D. Green, J.G. Günther, P. Hadasch, D. Hahn, A. Hassan, T. Heckmann, L. Herrera Llorente, J. Hrupec, D. Imazawa, R. Ishio, K. Jiménez Martínez, I. Jormanainen, J. Kankkunen, S. Kayanoki, T. Kerszberg, D. Kluge, G.W. Kobayashi, Y. Kouch, P.M. Kubo, H. Kushida, J. Láinez, M. Lamastra, A. Leone, F. Lindfors, E. Lombardi, S. Longo, F. López-Coto, R. López-Moya, M. López-Oramas, A. Loporchio, S. Lorini, A. Lyard, E. Machado De Oliveira Fraga, B. Majumdar, P. Makariev, M. Maneva, G. Manganaro, M. ETH Zürich ZürichCH-8093 Switzerland Università di Siena and INFN Pisa SienaI-53100 Italy BarcelonaE-08193 Spain Universitat de Barcelona ICCUB IEEC-UB BarcelonaE-08028 Spain Instituto de Astrofísica de Andalucía-CSIC Glorieta de la Astronomía s/n Granada18008 Spain RomeI-00136 Italy Università di Udine and INFN Trieste UdineI-33100 Italy Max-Planck-Institut für Physik GarchingD-85748 Germany Università di Padova and INFN PadovaI-35131 Italy Technische Universität Dortmund DortmundD-44221 Germany Zagreb10000 Croatia Rio de Janeiro22290-180 URCA Brazil IPARCOS Institute EMFTEL Department Universidad Complutense de Madrid MadridE-28040 Spain Instituto de Astrofísica de Canarias Dpto. de Astrofísica Universidad de La Laguna La LagunaE-38200 Spain University of Lodz Faculty of Physics and Applied Informatics Department of Astrophysics Lodz90-236 Poland Centro de Investigaciones Energéticas Medioambientales y Tecnológicas MadridE-28040 Spain Departament de Física CERES-IEEC Universitat Autònoma de Barcelona BellaterraE-08193 Spain Università di Pisa and INFN Pisa PisaI-56126 Italy INFN MAGIC Group: INFN Sezione di Bari Dipartimento Interateneo di Fisica dell'Università e del Politecnico di Bari BariI-70125 Italy Department for Physics and Technology University of Bergen Bergen Norway INFN MAGIC Group: INFN Sezione di Torino Università degli Studi di Torino TorinoI-10125 Italy Croatian MAGIC Group: University of Rijeka Faculty of Physics Rijeka51000 Croatia Universität Würzburg WürzburgD-97074 Germany Japanese MAGIC Group: Physics Program Graduate School of Advanced Science and Engineering Hiroshima University Hiroshima739-8526 Japan ZeuthenD-15738 Germany Armenian MAGIC Group: ICRANet-Armenia Yerevan0019 Armenia Croatian MAGIC Group: Josip Juraj Strossmayer University of Osijek Department of Physics Osijek31000 Croatia Finnish MAGIC Group: Finnish Centre for Astronomy with ESO Department of Physics and Astronomy U

Self-repairing graphite protective layer has been discovered as a suitable protective layer in blast furnace (BF) hearth in recent years. In the current study, actual samples of self-repairing graphite protective layer taken from a commercial BF were analyzed in detail. The results revealed that the hot face of graphite protective layer exhibits a distinct white graphite luster, with large areas of graphite adhering to the surface. Along the direction of its formation, the sample displays a striped pattern with alternating layers. The graphite is strip-shaped, it is relatively coarse and unevenly distributed. The coarse graphite runs in the same direction, unlike graphite in molten iron which has no fixed direction in a chaotic state. The formation process of selfrepairing graphite protective layer can be concluded, graphite precipitates at the interface through heterogeneous nucleation. Crystal nuclei often preferentially adhere to the surface of these impurities to form, owing to the fact that the nucleation energy of heterogeneous nucleation is lower than that of homogeneous nucleation. Titanium is discovered during the observation of microscopic morphology of graphite protective layer, graphite protective layer is more robust due to the strengthening effect of titanium. Titanium strengthening mechanism of self-repairing graphite protective layer is summarized, the strengthening mechanism can be divided into four steps. TiC particles are dispersed around graphite, which reduces the difficulty of the orientation of flake graphite growth. The presence of TiC increases the growth rate of crystals. The four steps are cyclically performed, so the self-repairing graphite protective layer can precipitate layer by layer through titanium strengthening mechanism, which serves to protect the carbon brick in BF hearth. © EDP sciences, 2025.

关键词： Blast furnaces

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Helicity-tunable spin Hall and spin Nernst effects in unconventional chiral fermion semimetals XY (X=Co, Rh;Y=Si, Ge)

arXiv

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arXiv 2022年

作者： Hsieh, Ting-Yun Prasad, Babu Baijnath Guo, Guang-Yu Department of Physics National Taiwan University Taipei10617 Taiwan Nano Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei11529 Taiwan Physics Division National Center for Theoretical Sciences Taipei10617 Taiwan

Transition metal monosilicides CoSi, CoGe, RhSi and RhGe in the chiral cubic B20 structure (the CoSi family) have recently been found to host unconventional chiral fermions beyond spin-1/2 Weyl fermions, and also to exhibit exotic physical phenomena such as long Fermi arc surface states, gyrotropic magnetic effect and quantized circular photogalvanic effect. Thus, exploring novel spin-related transports in these unconventional chiral fermion semimetals may open a new door for spintronics and spin caloritronics. In this paper, we study the intrinsic spin Hall effect (SHE) and spin Nernst effect (SNE) in the CoSi family based on ab initio relativistic band structure calculations. First, we find that unlike nonchiral cubic metals, the CoSi family have two independent nonzero spin Hall (Nernst) conductivity tensor elements, namely, σxyz and σxzy (αzxy and αyxz) instead of one element. Furthermore, the SHC (σxyz and σxzy ) and helicity of the chiral structure are found to be correlated, thus enabling SHE detection of structural helicity and also chiral fermion chirality. Second, the intrinsic SHE and SNE in some of the CoSi family are large. In particular, the calculated spin Hall conductivity (SHC) of RhGe is as large as -140 (~/e)(S/cm). The calculated spin Nernst conductivity (SNC) of CoGe is also large, being -1.3 (~/e)(A/m K) at room temperature. Due to their semimetallic nature with low electrical conductivity, these topological semimetals may have large spin Hall and spin Nernst angles, being comparable to that of platinum metal. The SHC and SNC of these compounds can also be increased by raising or lowering chemical potential to, e.g., the topological nodes, via either chemical doping or electrical gating. Our findings thus indicate that transition metal monosilicides of the CoSi family not only would provide a material platform for exploring novel spin-transports and exotic phenomena in unconventional chiral fermion semimetals but also could be promising materia

关键词： Calculations

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Collective vortical motion and vorticity reversals of self-propelled particles on circularly patterned substrates

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Physical Review E 2023年第2期107卷 024606-024606页

作者： Haosheng Wen Yu Zhu Chenhui Peng P. B. Sunil Kumar Mohamed Laradji Department of Physics and Materials Science The University of Memphis Memphis Tennessee 38152 USA Biophysics Graduate Program The Ohio State University Columbus Ohio 43210 USA Department of Physics University of Science and Technology of China Hefei Anhui 230026 China Department of Physics Indian Institute of Technology Palakkad Palakkad 668557 Kerala India Department of Physics Indian Institute of Technology Madras Chennai 600036 Tamil Nadu India

The collective behavior of self-propelled particles (SPPs) under the combined effects of a circularly patterned substrate and circular confinement is investigated through coarse-grained molecular dynamics simulations of polarized and disjoint ring polymers. The study is performed over a wide range of values of the SPPs packing fraction ϕ¯, motility force FD, and area fraction of the patterned region. At low packing fractions, the SPPs are excluded from the system's center and exhibit a vortical motion that is dominated by the substrate at intermediate values of FD. This exclusion zone is due to the coupling between the driving force and torque induced by the substrate, which induces an outward spiral motion of the SPPs. For high values of FD, the SPPs exclusion from the center is dominated by the confining boundary. At high values of ϕ¯, the substrate pattern leads to reversals in the vorticity, which become quasiperiodic with increasing ϕ¯. We also found that the substrate pattern is able to separate SPPs based on their motilities.

关键词： Aggregation Collective behavior Flocking Self-assembly Active matter Theories of collective dynamics & active matter

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A first-principles study on the quantum tunneling of methylhydroxycarbene isomerization in various solvents 4

A first-principles study on the quantum tunneling of methylh...

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4th Padjadjaran International physics Symposium 2019, PIPS 2019

作者： Susanti, E.D. Rusydi, F. Puspitasari, I. Fadilla, R.N. Aisyah, N.D. Ahmad, A. Research Center for Quantum Engineering Design Faculty of Science and Technology Universitas Airlangga Jl. Mulyorejo Surabaya60115 Indonesia Department of Physics Faculty of Science and Technology Universitas Airlangga Jl. Mulyorejo Surabaya60115 Indonesia Precision Sciences and Technology and Applied Physics Graduate School of Engineering Osaka University Suita565-0871 Japan Information System Study Program Faculty of Science and Technology Universitas Airlangga Jl. Mulyorejo Surabaya60115 Indonesia School of Chemical Science and Food Technology Faculty of Science and Technology Universiti Kebangsaan Malaysia Bangi Selangor43600 Malaysia

Quantum tunneling phenomenon allows a high-barrier reaction to occur even though thermal energy is not sufficient to surmount the barrier. The phenomenon has been suggested to exist in the isomerization of methylhydroxycarbene which occured at 11 K. Here we study the quantum tunneling that occured in the isomerization of methylhydroxycarbene to acetaldehyde and to vinyl alcohol based on density functional calculations. The isomerization pathways are determined under the effect of various solvents which are modeled by polarizable continuum model (PCM). We use Wentzel-Kramers-Brillouin (WKB) approximation to calculate the tunneling probability (T) and extend the usefulness of T into isomerization rate. The results show that the solvents give a significant effect on the isomerization rate of methylhydroxycarbene to acetaldehyde but an insignificant one on the isomerization rate to vinyl alcohol. © 2020 IOP Publishing Ltd. All rights reserved.

关键词： Isomerization

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In-situThermal Testing on Nanostructures in TEM

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Microscopy and Microanalysis 2016年第S3期22卷 770-771页

作者： Hua Guo Will J. Hardy Panpan Zhou Douglas Natelson Jun Lou Department of Materials Science and NanoEngineering Rice University Houston Texas USA Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston Texas USA Department of Physics and Astronomy Rice University Houston Texas USA

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Synthesis and raman response of multiwalled-carbon nanotubes decorated with gold nanobowls prepared via galvanic replacement of silver nanoparticles

Synthesis and raman response of multiwalled-carbon nanotubes...

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IEEE International Conference on Nano/Micro Engineered and Molecular Systems (NEMS)

作者： Judy M. Obliosca Pen-Cheng Wang Fan-Gang Tseng Department of Engineering and System Science National Tsing Hua University Hsinchu Taiwan Nano Science and Technology Taiwan International Graduate Program Institute of Physics Academia Sinica Taipei Taiwan

Gold nanobowls (AuNBs) of ~5 nm in diameter grown on multiwalled carbon nanotubes (MWCNT) were successfully synthesized via galvanic replacement of silver nanoparticles (AgNPs). A 3-fold Raman signal enhancement of MWCNT was observed when Au replacement with Ag approached to completion. Moreover, AuNBs can be readily released from CNT surface via sonication with 1-octanethiol (OT). Our current method demonstrates a novel technique on producing smallest dimension of AuNBs so far simply achieved in wet chemical process.

关键词： Gold Raman scattering Carbon nanotubes Silver Nanoparticles Nanobioscience Surface treatment

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Steady-state phases and interaction-induced depletion in a driven-dissipative chirally-coupled dissimilar atomic array

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Physical Review Research 2024年第2期6卷 023232-023232页

作者： Shao-Hong Chung I Gusti Ngurah Yudi Handayana Yi-Lin Tsao Chun-Chi Wu G.-D. Lin H. H. Jen Department of Physics and Center for Quantum Science and Engineering Taipei 10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Department of Physics Physics Division National Center for Theoretical Sciences Taipei 10617 Taiwan Trapped-Ion Quantum Computing Laboratory Hon Hai Research Institute Taipei 11492 Taiwan

A nanophotonic waveguide coupled with an atomic array forms one of the strongly coupled quantum interfaces to showcase many fascinating collective features of quantum dynamics. In particular, for a dissimilar array of two different interparticle spacings with competing photon-mediated dipole-dipole interactions and directionality of couplings, we study the steady-state phases of atomic excitations under a weakly driven condition of laser field. We identify a partial set of steady-state phases of the driven system composed of combinations of steady-state solutions in a homogeneous array. We also reveal the intricate role of the atom at the interface of the dissimilar array in determining the steady-state phases and find an alteration in the dichotomy of the phases strongly associated with steady-state distributions with crystalline orders. We further investigate in detail the interaction-induced depletion in half of the dissimilar array, where the blockaded region results from two contrasting interparticle spacings near the reciprocal coupling regime. This can be further evidenced from the analytical solutions under the reciprocal coupling. Our results can provide insights in the driven-dissipative quantum phases of atomic excitations with nonreciprocal couplings and pave the avenues toward quantum simulations of exotic many-body states essential for quantum information applications.

关键词： Collective behavior Dissipative dynamics Nanophotonics Phase diagrams Dipole approximation Two-level models

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Efficient General Waveform Catching by a cavity at an Absorbing Exceptional Point

Efficient General Waveform Catching by a cavity at an Absorb...

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CLEO: science and Innovations in CLEO 2024, CLEO: S and I 2024 - Part of Conference on Lasers and Electro-Optics

作者： Farhi, Asaf Dai, Wei Kim, Seunghwi Alu, Andrea Stone, A. Douglas Department of Applied Physics Yale University New HavenCT06520 United States Advanced Science Research Center City University of New York NYNY10031 United States Physics Program Graduate Center City University of New York New YorkNY10016 United States Yale Quantum Institute Yale University New HavenCT06520 United States

We show that a cavity at an absorbing exceptional point captures additional temporal orders of any incoming waveform, resulting in efficient passive state transfer and photon detection. © Optica Publishing Group ...

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Multi-hole defect photonic crystals with enhanced surface area for biosensing applications

Multi-hole defect photonic crystals with enhanced surface ar...

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Laser science, LS 2013

作者： Hu, S. Kang, C. Zhao, Y. Mares, J.W. Vlasov, Y.A. Assefa, S. Weiss, S.M. Department of Physics and Astronomy Vanderbilt University Nashville TN 37235 United States Interdisciplinary Graduate Program in Materials Science Vanderbilt University Nashville TN 37235 United States Department of Electrical Engineering and Computer Science Vanderbilt University Nashville TN 37235 United States IBM T.J. Watson Research Center Yorktown Heights NY 10536 United States

Multi-hole defect (MHD) photonic crystal cavities functionalized with in situ synthesized DNA bioreceptors are demonstrated for biosensing applications. By significantly increasing light interaction with target biomol... 详细信息

ISBN: (纸本)9781557529879

关键词： Photonic crystals

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