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arXiv 2022年

作者： Zwartsenberg, Berend Day, Ryan P. Razzoli, Elia Michiardi, Matteo Na, Meng Xing Zhang, Guoren Denlinger, Jonathan D. Vobornik, Ivana Bigi, Chiara Kim, Bum Joon Elfimov, Ilya S. Pavarini, Eva Damascelli, Andrea Quantum Matter Institute University of British Columbia VancouverBCV6T 1Z4 Canada Department of Physics and Astronomy University of British Columbia VancouverBCV6T 1Z1 Canada Max Planck Institute for Chemical Physics of Solids Nöthnitzer Straße 40 Dresden01187 Germany Key Laboratory of Materials Physics Institute of Solid State Physics Hfips Chinese Academy of Sciences Hefei230031 China Advanced Light Source Lawrence Berkeley National Laboratory BerkeleyCA94720 United States -CNR Laboratorio Tasc Area Science Park S.S.14 Km 163.5 TriesteI-34149 Italy Dipartimento di Fisica Universitá di Milano Via Celoria 16 MilanoI-20133 Italy Department of Physics Pohang University of Science and Technology Pohang790-784 Korea Republic of 77 Cheongam-Ro Pohang790-784 Korea Republic of Max Planck Institute for Solid State Research Heisenbergstraße 1 StuttgartD-70569 Germany Institute for Advanced Simulation Forschungszentrum Jülich JülichD-52425 Germany Jara High-Performance Computing Forschungszentrum Jülich Jülich Germany

Sr2IrO4has often been described via a simple, one-band pseudo-spin 1/2 model, subject to electron-electron interactions, on a square lattice, fostering analogies with cuprate superconductors, believed to be well described by a similar model. In this work we argue - based on a detailed study of the low-energy electronic structure by circularly polarized spin and angle-resolved photoemission spectroscopy combined with dynamical mean-field theory calculations - that a pseudo-spin 1/2 model fails to capture the full complexity of the system. We show instead that a realistic multi-band Hubbard Hamiltonian, accounting for the full correlated t2gmanifold, provides a detailed description of the interplay between spin-orbital entanglement and electron-electron interactions, and yields quantitative agreement with experiments. Our analysis establishes that the j3/2states make up a substantial percentage of the low energy spectral weight, i.e. approximately 74% as determined from the integration of the j-resolved spectral function in the 0 to -1.64 eV energy range. The results in our work are not only of relevance to iridium based materials, but more generally to the study of multi-orbital materials with closely spaced energy scales. © 2022, CC BY-NC-ND.

关键词： Electron-electron interactions

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Combustion microstructures and frictional ignition resistance of Ti-6Al-4V titanium alloy

Combustion microstructures and frictional ignition resistanc...

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Chinese Materials Conference, 2018

作者： Mi, Guangbao Huang, Xu Cao, Jingxia Wang, Bao Cao, Chunxiao Aviation Key Laboratory of Science and Technology on Advanced Titanium Alloys Beijing Institute of Aeronautical Materials Beijing100095 China Beijing Engineering Research Center of Graphene and Application Beijing100095 China

ISBN: (纸本)9783035713848

The effects of the contact pressure Pfric and the oxygen concentration c0 on the ignition resistance of Ti-6Al-4V were studied by friction in oxygen-enriched atmosphere. The relationship of Pfric-c0 was built to quantitatively describe the ignition resistance, the combustion microstructures were investigated by XRD, SEM and EDS. Further, the principle of improving the ignition resistance was proposed. It indicates that the relationship of Pfric-c0 obeys parabolic law. The c0 decreases by 4% when the Pfric increases from 0.1MPa to 0.25MPa, manifesting that the ignition resistance depends on c0 strongly (or equivalent flow pressure Peq). The ignition resistance of Ti-6Al-4V is 42.9% of that of TB12. When Peq varies from 0.1~0.5MPa, the critical ignition temperature * is approximate to 568~461K. Violent sparks form during frictional ignition. The low ignition resistance of Ti-6Al-4V probably results from not only the composite oxides of TiO2, Al2 O3 and V2 O5 generating during ignition which could not prevent the rapid interaction between Ti and O, but also the Al and V elements in the heat-affected zone which could not stop or slow the massive diffusion of O towards the alloy. © 2019 Trans Tech Publications, Switzerland.

关键词： Microstructure

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Double annealing processes of Ti-5Al-5Mo-5V-1Cr-1Fe titanium alloy

Double annealing processes of Ti-5Al-5Mo-5V-1Cr-1Fe titanium...

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Chinese Materials Conference, 2018

作者： Wang, Qingrui Sha, Aixue Huang, Lijun Li, Xingwu Mi, Guangbao Aviation Key Laboratory of Science and Technology on Advanced Titanium Alloys Beijing Institute of Aeronautical Materials Beijing100095 China Beijing Engineering Research Center of Graphene and Application Beijing100095 China

ISBN: (纸本)9783035713848

In this work, double annealing processes of Ti-5Al-5Mo-5V-1Cr-1Fe titanium alloy were systemically investigated, and the microstructure and property of different processes were compared. The results show that, when the first stage annealing is air cooling, the microstructure with continuous and straight grain boundary is obtained, and corresponding mechanical property is not very good. When the first stage annealing is furnace cooling, the influence of first stage annealing temperature on microstructure and property is obvious. Excellent comprehensive property can be obtained when β grain boundary and α phase are discontinuous and tortuous. Further, based on this research, a new double annealing process is developed, which can obtain excellent ductility when large size forging is fabricated above the phase transformation point and has small deformation. © 2019 Trans Tech Publications, Switzerland.

关键词： Annealing

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Generalized Collision-free Velocity Model for Pedestrian Dynamics

arXiv

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arXiv 2019年

作者： Xu, Qiancheng Chraibi, Mohcine Tordeux, Antoine Zhang, Jun Institute for Advanced Simulation Forschungszentrum Jülich GmbH Jülich52425 Germany School of Mechanical Engineering and Safety Engineering University of Wuppertal Wuppertal42119 Germany State Key Laboratory of Fire Science University of Science and Technology of China Hefei230027 China

The collision-free velocity model is a microscopic pedestrian model, which despite its simplicity, reproduces fairly well several self-organization phenomena in pedestrian dynamics. The model consists of two components: a direction sub-model that combines individual desired moving direction and neighbour’s influence to imitate the process of navigating in a two-dimensional space, and an intrinsically collision-free speed sub-model which controls the speed of the agents with respect to the distance to their neighbors. This paper generalizes the collision-free velocity model by introducing the influence of walls and extending the distance calculations to velocity-based ellipses. Besides, we introduce enhancements to the direction sub-module of the model that smooth the direction changes of pedestrians in the simulation;a shortcoming that was not visible in the original model due to the symmetry of the circular shapes. Moreover, the introduced improvements mitigate backward movement, leading to a more realistic distribution of pedestrians especially in bottleneck scenarios. We study by simulation the effects of the pedestrian’s shape by comparing the fundamental diagram in narrow and wide corridors. Furthermore, we validate our enhancements to the direction sub-model for bottleneck experiments with varying exit’s width. Copyright © 2019, The Authors. All rights reserved.

关键词： Velocity

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Corrigendum: provincial-scale assessment of direct air capture to meet China’s climate neutrality goal under limited bioenergy supply (2024 Environ. Res. Lett. 19 114021)

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Environmental Research Letters 2025年第2期20卷 029502-029502页

作者： Hanwoong Kim Yang Qiu Haewon McJeon Andres Clarens Parisa Javadi Can Wang Rui Wang Jiachen Wang Hanying Jiang Andy Miller Ryna Cui Jenna Behrendt Yang Ou Sha Yu Jay Fuhrman Joint Global Change Research Institute University of Maryland and Pacific Northwest National Laboratory College Park MD 20740 United States of America Graduate School of Green Growth and Sustainability (GGGS) Korea Advanced Institute of Science and Technology 291 Daehak-ro Yuseong-gu Daejeon 34141 Republic of Korea University of Virginia Department of Civil and Environmental Engineering University of Virginia Charlottesville VA 22904 United States of America State Key Joint Laboratory of Environment Simulation and Pollution Control School of Environment Tsinghua University Beijing 100084 People’s Republic of China Department of Earth System Science Ministry of Education Key Laboratory for Earth System Modelling Institute for Global Change Studies Tsinghua University Beijing 100084 People’s Republic of China Center for Global Sustainability School of Public Policy University of Maryland College Park MD United States of America College of Environmental Sciences and Engineering Peking University Beijing People’s Republic of China Institute of Carbon Neutrality Peking University Beijing People’s Republic of China

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Corrigendum to “Optimization design of horizontal well fracture stage placement in shale gas reservoirs based on an efficient variable-fidelity surrogate model and intelligent algorithm” [Energy Rep. 8 (2022) 3589–3599]

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Energy Reports 2022年 8卷 14516-14516页

作者： Guoxiang Zhao Yuedong Yao Lian Wang Caspar Daniel Adenutsi Dong Feng Wenwei Wu State Key Laboratory of Petroleum Resources and Prospecting College of Petroleum Engineering China University of Petroleum (Beijing) Beijing 102249 China Department of Chemical and Petroleum Engineering University of Calgary Calgary Alberta T2N 1N4 Canada Reservoir Simulation Laboratory Department of Petroleum Engineering Faculty of Civil and Geo-Engineering Kwame Nkrumah University of Science and Technology Kumasi Ghana Ningbo Fengcheng Advanced Energy Materials Research Institute Co. Ltd. Ningbo 315000 China

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Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

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Physical Review Research 2020年第3期2卷 033265-033265页

作者： Iurii Timrov Piyush Agrawal Xinyu Zhang Selma Erat Riping Liu Artur Braun Matteo Cococcioni Matteo Calandra Nicola Marzari Daniele Passerone Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) École Polytechnique Fédérale de Lausanne (EPFL) CH-1015 Lausanne Switzerland nanotech@surfaces Laboratory and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Empa–Swiss Federal Laboratories for Materials Science and Technology CH-8600 Dübendorf Switzerland Electron Microscopy Center Empa–Swiss Federal Laboratories for Materials Science and Technology CH-8600 Dübendorf Switzerland nanotech@surfaces Laboratory Empa–Swiss Federal Laboratories for Materials Science and Technology CH-8600 Dübendorf Switzerland State Key Laboratory of Metastable Material Science and Technology Yanshan University CN-066004 Qinhuangdao China High Performance Ceramics Laboratory Empa–Swiss Federal Laboratories for Materials Science and Technology CH-8600 Dubendorf Switzerland Department for Materials Nonmetallic Inorganic Materials ETH Zurich Swiss Federal Institute of Technology CH-8037 Zurich Switzerland Vocational School of Technical Sciences Department of Medical Services and Techniques Program of Opticianry Mersin University TR-33343 Yenisehir Mersin Turkey Advanced Technology Education Research and Application Center Mersin University TR-33343 Yenisehir Mersin Turkey Department of Physics University of Pavia Via Bassi 6 I-27100 Pavia Italy Dipartmento di Fisica Università di Trento Via Sommarive 14 38123 Povo Italy Sorbonne Université CNRS Institut des Nanosciences de Paris UMR7588 F-75252 Paris France

We present a joint theoretical and experimental study of the oxygen K-edge spectra for LaFeO3 and homovalent Ni-substituted LaFeO3 (LaFe0.75Ni0.25O3), using first-principles simulations based on density-functional theory with extended Hubbard functionals and x-ray absorption near edge structure (XANES) measurements. Ground-state and excited-state XANES calculations employ Hubbard onsite U and intersite V parameters determined from first principles and the Lanczos recursive method to obtain absorption cross sections, which allows for a reliable description of XANES spectra in transition-metal compounds in a very broad energy range, with an accuracy comparable to that of hybrid functionals but at a substantially lower cost. We show that standard gradient-corrected exchange-correlation functionals fail in capturing accurately the electronic properties of both materials. In particular, for LaFe0.75Ni0.25O3 they do not reproduce its semiconducting behavior and provide a poor description of the pre-edge features at the O K edge. The inclusion of Hubbard interactions leads to a drastic improvement, accounting for the semiconducting ground state of LaFe0.75Ni0.25O3 and for good agreement between calculated and measured XANES spectra. We show that the partial substitution of Ni for Fe affects the conduction-band bottom by generating a strongly hybridized O(2p)−Ni(3d) minority-spin empty electronic state. The present work, based on a consistent correction of self-interaction errors, outlines the crucial role of extended Hubbard functionals to describe the electronic structure of complex transition-metal oxides such as LaFeO3 and LaFe0.75Ni0.25O3 and paves the way to future studies on similar systems.

关键词： Density of states Electronic structure Transition-metal rare-earth alloys DFT+U Density functional calculations Density functional theory X-ray absorption near-edge spectroscopy

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Jacobi Spectral Collocation Method Based on Lagrange Interpolation Polynomials for Solving Nonlinear Fractional Integro-Differential Equations

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Advances in Applied Mathematics and Mechanics 2018年第6期10卷 1440-1458页

作者： Xingfa Yang Yin Yang Yanping Chen Jie Liu State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body Hunan UniversityChangsha 410082HunanChina Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing&Information Processing of Ministry of EducationSchool of Mathematics and Computational ScienceXiangtan UniversityXiangtan 411105HunanChina School of Mathematical Sciences South China Normal UniversityGuangzhou 510631GuangdongChina Center for Research on Leading Technology of Special Equipment School of Mechanical and Electric EngineeringGuangzhou UniversityGuangzhou 510006GuangdongChina

In this paper,we study a class of nonlinear fractional integro-differential equations,the fractional derivative is described in the Caputo *** the properties of the Caputo derivative,we convert the fractional integro-differential equations into equivalent integral-differential equations of Volterra type with singular kernel,then we propose and analyze a spectral Jacobi-collocation approximation for nonlinear integro-differential equations of Volterra *** provide a rigorous error analysis for the spectral methods,which shows that both the errors of approximate solutions and the errors of approximate fractional derivatives of the solutions decay exponentially in L^(∞)-norm and weighted L^(2)-norm.

关键词： Spectral method nonlinear fractional derivative Volterra integro-differential equations Caputo derivative

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simulation of pedestrian single-lane movement by a biped model

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Physical Review E 2018年第4期98卷 042309-042309页

作者： Zhongyi Huang Mohcine Chraibi Weiguo Song State key Laboratory of Fire Science University of Science and Technology of China Hefei 230027 China Institute for Advanced Simulation Forschungszentrum Jülich 52425 Jülich Germany

In most existing pedestrian dynamic models, agents are modeled as sliding or jumping objects. As a kind of bipedal creature, however, this assumption makes it difficult to include some important human walking characteristics in the models, such as the periodicity of stepping, the adjustment of step frequency and step length, and the change of personal space within the same step cycle. To take these characteristics into consideration, a “biped model” is developed to simulate pedestrian locomotion by physical step rather than by time step. The model consists of two components: the stepping simulator and the adjustment of velocity for each step. simulation results show that the velocity-density relations are consistent with the empirical data. Stable stop-and -go waves are simulated with a critical density. Furthermore, with the considering of biped movement, the lock-step phenomenon is reproduced. The model provides new possibilities to study crowd behavior while considering personal bipedal mechanics.

关键词： Transportation Collective dynamics Decision making models

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Input optics systems of the KAGRA detector during O3GK (vol 2023, 023F01, 2023)

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PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS 2023年第5期2023卷

作者： Akutsu, T. Ando, M. Arai, K. Arai, Y. Araki, S. Araya, A. Aritomi, N. Asada, H. Aso, Y. Bae, S. Bae, Y. Baiotti, L. Bajpai, R. Barton, M. A. Cannon, K. Cao, Z. Capocasa, E. Chan, M. Chen, C. Chen, K. Chen, Y. Chiang, C-I Chu, H. Chu, Y-K Eguchi, S. Enomoto, Y. Flaminio, R. Fujii, Y. Fujikawa, Y. Fukunaga, M. Fukushima, M. Furuhata, T. Gao, D. Ge, G-G Ha, S. Hagiwara, A. Haino, S. Han, W-B Hasegawa, K. Hattori, K. Hayakawa, H. Hayama, K. Himemoto, Y. Hiranuma, Y. Hirata, N. Hirose, E. Hong, Z. Hsieh, B-H Huang, G-Z Huang, H-Y Huang, P. Huang, Y-C Huang, Y-J Hui, D. C. Y. Ide, S. Ikenoue, B. Imam, S. Inayoshi, K. Inoue, Y. Ioka, K. Ito, K. Itoh, Y. Izumi, K. Jeon, C. Jin, H-B Jung, K. Jung, P. Kaihotsu, K. Kajita, T. Kakizaki, M. Kamiizumi, M. Kanbara, S. Kanda, N. Kang, G. Kataoka, Y. Kawaguchi, K. Kawai, N. Kawasaki, T. Kim, C. Kim, J. Kim, J. C. Kim, Ws Kim, Y-M Kimura, N. Kita, N. Kitazawa, H. Kojima, Y. Kokeyama, K. Komori, K. Kong, A. K. H. Kotake, K. Kozakai, C. Kozu, R. Kumar, R. Kume, J. Kuo, C. Kuo, H-S Kuromiya, Y. Kuroyanagi, S. Kusayanagi, K. Kwak, K. Lee, H. K. Lee, H. W. Lee, R. Leonardi, M. Li, K. L. Lin, L. C-C Lin, C-Y Lin, F-K Lin, F-L Lin, H. L. Liu, G. C. Luo, L-W Majorana, E. Marchio, M. Michimura, Y. Mio, N. Miyakawa, O. Miyamoto, A. Miyazaki, Y. Miyo, K. Miyoki, S. Mori, Y. Morisaki, S. Moriwaki, Y. Nagano, K. Nagano, S. Nakamura, K. Nakano, H. Nakano, M. Nakashima, R. Nakayama, Y. Narikawa, T. Naticchioni, L. Negishi, R. Quynh, L. Nguyen Ni, W-T Nishizawa, A. Nozaki, S. Obuchi, Y. Ogaki, W. Oh, J. J. Oh, S. H. Ohashi, M. Ohishi, N. Ohkawa, M. Ohta, H. Okutani, Y. Okutomi, K. Oohara, K. Ooi, C. Oshino, S. Otabe, S. Pan, K-C Pang, H. Parisi, A. Park, J. Arellano, F. E. Pena Pinto, I. Sago, N. Saito, S. Saito, Y. Sakai, K. Sakai, Y. Sakuno, Y. Sato, S. Sato, T. Sawada, T. Sekiguchi, T. Sekiguchi, Y. Shao, L. Shibagaki, S. Shimizu, R. Shimoda, T. Shimode, K. Shinkai, H. Shishido, T. Shoda, A. Somiya, K. Son, E. J. Sotani, H. Sugimoto, R. Suresh, J. Suzuki, T. Suzuki, T. Tagoshi, H. Takahashi, H Gravitational Wave Science Project National Astronomical Observatory of Japan 2-21-1 Osawa Mitaka City Tokyo 181-8588 Japan Advanced Technology Center National Astronomical Observatory of Japan 2-21-1 Osawa Mitaka City Tokyo 181-8588 Japan Department of Physics The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-0033 Japan Research Center for the Early Universe The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-0033 Japan Institute for Cosmic Ray Research KAGRA Observatory The University of Tokyo 5-1-5 Kashiwa-no-Ha Kashiwa City Chiba 277-8582 Japan Accelerator Laboratory High Energy Accelerator Research Organization (KEK) 1-1 Oho Tsukuba City Ibaraki 305-0801 Japan Earthquake Research Institute The University of Tokyo 1-1-1 Yayoi Bunkyo-ku Tokyo 113-0032 Japan Department of Mathematics and Physics Graduate School of Science and Technology Hirosaki University 3 Bunkyo-cho Hirosaki Aomori 036-8561 Japan Kamioka Branch National Astronomical Observatory of Japan 238 Higashi-Mozumi Kamioka-cho Hida City Gifu 506-1205 Japan The Graduate University for Advanced Studies (SOKENDAI) 2-21-1 Osawa Mitaka City Tokyo 181-8588 Japan Korea Institute of Science and Technology Information 245 Daehak-ro Yuseong-gu Daejeon 34141 Republic of Korea National Institute for Mathematical Sciences 70 Yuseong-daero 1689 Beon-gil Yuseong-gu Daejeon 34047 Republic of Korea International College Osaka University 1-1 Machikaneyama-cho Toyonaka City Osaka 560-0043 Japan School of High Energy Accelerator Science The Graduate University for Advanced Studies (SOKENDAI) 1-1 Oho Tsukuba City Ibaraki 305-0801 Japan Department of Astronomy Beijing Normal University Xinjiekouwai Street 19 Haidian District Beijing 100875 China Department of Applied Physics Fukuoka University 8-19-1 Nanakuma Jonan Fukuoka City Fukuoka 814-0180 Japan Department of Physics Tamkang University No. 151 Yingzhuan Road Danshui Dist. New Taipei City 25137 Taiwan Department of Physics

KAGRA, the underground and cryogenic gravitational-wave detector, was operated for its solo observation from February 25 to March 10, 2020, and its first joint observation with the GEO 600 detector from April 7 to April 21, 2020 (O3GK). This study presents an overview of the input optics systems of the KAGRA detector, which consist of various optical systems, such as a laser source, its intensity and frequency stabilization systems, modulators, a Faraday isolator, mode-matching telescopes, and a high-power beam dump. These optics were successfully delivered to the KAGRA interferometer and operated stably during the observations. The laser frequency noise was observed to limit the detector sensitivity above a few kilohertz, whereas the laser intensity did not significantly limit the detector sensitivity.

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