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Quiescent luminosities of accreting neutron stars with different equation of states

physical Review D 2021年第6期103卷 063009-063009页

作者： Helei Liu Akira Dohi Masa-aki Hashimoto Yasuhide Matsuo Guo-Liang Lü Tsuneo Noda School of Physical Science and Technology Xinjiang University Urumqi 830046 China Department of Physics Kyushu University Fukuoka 819-035 Japan Interdisciplinary Theoretical and Mathematical Sciences Program (iTHEMS) RIKEN Wako 351-0198 Japan Nippo-cho Minatokouhoku-ku Yokohama Kanagawa 223-0057 Japan Kurume Institute of Technology Kurume Fukuoka 830-0052 Japan

We model the quiescent luminosity of accreting neutron stars with several equation of states (EOSs), including the effect of pion condensation and superfluidity. As a consequence of comparison with the observations, we show that the results with Togashi EOS (the strong direct Urca process is forbidden) and TM1e EOS (mass at direct Urca process is 2.06 M⊙) can explain the observations well by considering pion condensation and the effect of superfluidity, while LS220 EOS and TM1 EOS can explain the observations well by considering the baryon direct Urca process and the effect of superfluidity. Besides, we compare the results with the observations of a neutron star RX J0812.4-3114 which has the low average mass accretion rate (⟨M˙⟩∼(4–15)×10−12 M⊙ yr−1) but high thermal luminosity (Lq∞∼(0.6–3)×1033 erg s−1), and we suggest that a low-mass neutron star (<1 M⊙) with minimum cooling can explain the lower limit of the observation of thermal luminosity of RX J0812.4-3114, which is qualitatively consistent with the previous work [Zhao et al., Soft excess in the quiescent Be/X-ray pulsar RX J0812.4-3114, Mon. Not. R. Astron. Soc. 488, 4427 (2019)]. However, to explain its upper limit, some other heating mechanisms besides standard deep crustal heating may be needed.

关键词： General relativity equations & solutions Nuclear matter in neutron stars X ray astronomy X ray bursts

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JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods

arXiv

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arXiv 2023年

作者： Choudhary, Kamal Wines, Daniel Garrity, Kevin F. Williams, Maureen Tavazza, Francesca Li, Kangming Hattrick-Simpers, Jason Gupta, Vishu Romero, Aldo H. Krogel, Jaron T. Saritas, Kayahan Fuhr, Addis Ganesh, Panchapakesan Kent, Paul R.C. Yan, Keqiang Lin, Yuchao Ji, Shuiwang Blaiszik, Ben Reiser, Patrick Friederich, Pascal Agrawal, Ankit Tiwary, Pratyush Beyerle, Eric Minch, Peter Rhone, Trevor David Takeuchi, Ichiro Wexler, Robert B. Mannodi-Kanakkithodi, Arun Ertekin, Elif Mishra, Avanish Mathew, Nithin Wood, Mitchell Rohskopf, Andrew Dale Wang, Shih-Han Achenie, Luke E.K. Xin, Hongliang Biacchi, Adam J. Material Measurement Laboratory National Institute of Standards and Technology MD20899 United States Department of Materials Science and Engineering University of Toronto 27 King’s College Cir TorontoON Canada Department of Electrical and Computer Engineering Northwestern University EvanstonIL60208 United States Lewis-Sigler Institute for Integrative Genomics Princeton University PrincetonNJ08544 United States Ludwig Institute for Cancer Research Princeton University PrincetonNJ08544 United States Department of Physics and Astronomy West Virginia University MorgantownWV26506 United States Materials Science and Technology Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Center for Nanophase Materials Science Oak Ridge National Laboratory Oak RidgeTN37831 United States Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Department of Computer Science and Engineering Texas A&M University College StationTX77843 United States Globus University of Chicago IL60637 United States Data Science Learning Division National Lab ArgonneIL60439 United States Institute of Nanotechnology Karlsruhe Institute of Technology Kaiserstraße 12 Karlsruhe76131 Germany Institute of Theoretical Informatics Karlsruhe Institute of Technology Kaiserstraße 12 Karlsruhe76131 Germany Department of Chemistry and Biochemistry Institute for Physical Science and Technology University of Maryland College ParkMD20742 United States Department of Physics Applied Physics and Astronomy Rensselaer Polytechnic Institute TroyNY12180 United States Department of Materials Science and Engineering University of Maryland College ParkMD20742 United States Department of Chemistry Institute of Materials Science and Engineering Washington University in St. Louis St. LouisMO63130 United States School of Materials Engineering Purdue University West LafayetteIN47907 United States Department of Mechan

Lack of rigorous reproducibility and validation are significant hurdles for scientific development across many fields. Materials science, in particular, encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC) and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data-points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://***/jarvis_leaderboard/ © 2023, CC BY.

关键词： Electronic structure

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Titania Morphology-Dependent Catalysis of CuO_x/TiO₂ Catalysts in CO Oxidation and Water Gas Shift Reactions

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ChemCatChem 2020年第14期12卷 3679-3686页

作者： Yu, Zongyou Zhang, Zhenhua Zhang, Yunshang Huang, Weixin Hefei National Laboratory for Physical Sciences at Microscale Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes CAS Key Laboratory of Materials for Energy Conversion Department of Chemical Physics University of Science and Technology of China Jinzhai Road 96 Hefei 230026 China Key Laboratory of the Ministry of Education for Advanced Catalysis Materials Institute of Physical Chemistry Zhejiang Normal University Jinhua 321004 Zhejiang China

CuOx/TiO2 nanocatalysts (x=0 or 1) with ∼11 % wt. Cu loading employing TiO2 nanocrystals with various morphologies predominantly exposing {001}, {100}, and {101} facets as supports have been synthesized as catalysts ... 详细信息

CuO_x/TiO₂ nanocatalysts (x=0 or 1) with ∼11 % wt. Cu loading employing TiO₂ nanocrystals with various morphologies predominantly exposing {001}, {100}, and {101} facets as supports have been synthesized as catalysts for CO oxidation with excess of O₂ (oxidative atmosphere) and water gas shift (WGS) reaction (reductive atmosphere). Strong TiO₂ morphology effects were observed. The strongest Cu₂O−TiO₂ interaction was observed in CuO−TiO₂{001} nanocatalyst, while the strongest Cu-TiO₂ interaction occurred in Cu-TiO₂{100} nanocatalyst. Catalytic activities of various CuO/TiO₂ nanocatalysts in CO oxidation and of various Cu/TiO₂ nanocatalysts in WGS reaction follow the same order of CuO_x/TiO₂{100}>CuO_x/TiO₂{101}>CuO_x/TiO₂{001}, and all CuO/TiO₂ nanocatalysts are stable in CO oxidation but all Cu/TiO₂ nanocatalysts suffer from serious deactivation in WGS reaction. The active structure of CuO/TiO₂ nanocatalysts in CO oxidation was found to be the CuO species, while the active structure of Cu/TiO₂ nanocatalysts in WGS reaction to be the Cu-TiO₂ interface which is relevant to the Cu-TiO₂ interaction. The supported Cu nanoparticles in Cu/TiO₂ nanocatalysts tend to agglomerate at high temperatures in 5 %CO/Ar atmosphere, responsible for the deactivation in WGS reaction. These results not only demonstrate the morphology-dependent CuO_x-TiO₂ interaction in CuO_x/TiO₂ nanocatalysts, but also reveal reaction-dependent active structures of CuO_x/TiO₂ nanocatalysts. © 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

关键词： Active structure Interaction Interface Nanocatalysts TiO2 nanocrystals

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New beyond-Voigt line-shape profile recommended for the HITRAN database

arXiv

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arXiv 2025年

作者： Wcislo, P. Stolarczyk, N. Slowiński, M. Jóźwiak, H. Lisak, D. Ciurylo, R. Cygan, A. Schreier, F. Boone, C.D. Castrillo, A. Gianfrani, L. Tan, Y. Hu, S.-M. Adkins, E. Hodges, J.T. Tran, H. Ngo, H.N. Hartmann, J.-M. Beguier, S. Campargue, A. Hargreaves, R.J. Rothman, L.S. Gordon, I.E. Institute of Physics Faculty of Physics Astronomy and Informatics Nicolaus Copernicus University in Toruń Grudziądzka 5 Toruń87-100 Poland Wessling Germany Department of Chemistry University of Waterloo 200 University Avenue West ONN2L 3G1 Canada Department of Mathematics and Physics Università degli Studi della Campania "Luigi Vanvitelli" Caserta81100 Italy Hefei National Research Center for Physical Sciences at the Microscale University of Science and Technology of China Hefei China Chemical Sciences Division National Institute of Standards and Technology GaithersburgMD United States Laboratoire de Météorologie Dynamique IPSL CNRS Ecole polytechnique Institut Polytechnique de Paris Sorbonne Université Ecole Normale Supérieure Université PSL PalaiseauF-91120 France Faculty of Physics Hanoi National University of Education 136 Xuan Thuy Street Cau Giay District Hanoi Viet Nam Institute of Natural Sciences Hanoi National University of Education 136 Xuan Thuy Street Cau Giay District Hanoi Viet Nam University of Grenoble Alpes CNRS LIPhy GrenobleF-38000 France Harvard-Smithsonian Center for Astrophysics Atomic and Molecular Physics Division CambridgeMA02138 United States Viet Nam

Parameters associated with the collisional perturbation of spectral lines are essential for modeling the absorption of electromagnetic radiation in gas media. The HITRAN molecular spectroscopic database provides these parameters, although originally they were associated only with the Voigt profile parameterization. However, in the HITRAN2016 and HITRAN2020 editions, Voigt, speed-dependent Voigt and Hartmann-Tran (HT) profiles have been incorporated, thanks to the new relational structure of the database. The HT profile was introduced in HITRAN in 2016 as a recommended profile for the most accurate spectral interpretations and modeling. It was parameterized with a four-temperature-range temperature dependence. Since then, however, some features of the HT profile have been revealed that are problematic from a practical perspective. These are: the singular behavior of the temperature dependencies of the velocity-changing parameters when the shift parameter crosses zero and the difficulty in evaluating the former for mixtures. In this article, we summarize efforts to eliminate the above-mentioned problems that led us to recommend using the quadratic speed-dependent hard-collision (qSDHC) profile with double-power-law (DPL) temperature dependencies. We refer to this profile as a modified Hartmann-Tran (mHT) profile. The computational cost of evaluating it is the same as for the HT profile. We give a detailed description of the mHT profile (also including line mixing) and discuss the representation of its parameters, together with their DPL temperature parametrization adopted in the HITRAN database. We discuss an efficient algorithm for evaluating this profile and provide corresponding computer codes in several programming languages: Fortran, Python, MATLAB, Wolfram Mathematica, and LabVIEW. We also discuss the associated update of the HITRAN Application programming Interface (HAPI). © 2025, CC BY-NC-ND.

关键词： MATLAB

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Corrigendum to “Constructing of superhydrophobic and intact crystal terminal: Interface sealing strategy for stable perovskite solar cells with efficiency over 23%” [Chem. Eng. J. 453 (2023) 139808]

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chemical Engineering Journal 2024年 485卷

作者： Shendong Xu Liying Zhang Boyuan Liu Zheng Liang Huifen Xu Hui Zhang Jiajiu Ye Haibin Ma Guozhen Liu Xu Pan Key Laboratory of Photovoltaic and Energy Conservation Materials Institute of Solid State Physics Hefei Institutes of Physical Science Chinese Academy of Sciences Hefei 230031 China University of Science and Technology of China Hefei 230026 China College of Chemistry Chemical & Environmental Engineering Weifang University Weifang 261061 China

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Photodissociation Dynamics of Dichlorodifluoromethane（CF2Cl2） around 235 nm using Time-Sliced Velocity Map Imaging technology

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Chinese Journal of chemical physics 2019年第4期32卷 406-410,I0002页

作者： Rui Mao Hong Xiao Yu Hu Qun Zhang Yang Chen School of Mathematics and Physics and Chemical Engineering Changzhou Institute of Technology Changzhou 213032 China Hefei National Laboratory for Physical Sciences at the Microscale and Department of Chemical Physics University of Science and Technology of China Hefei 230026 China

Photodissociation dynamics of dichlorodifluoromethane (CF2Cl2) around 235 nm has been studied using the time-sliced velocity map imaging technology in combination with the resonance enhanced multi-photon ionization technology. By measuring the raw images of chlorine atoms which are formed via one-photon dissociation of CF2Cl2, the speed and angular distributions can be directly obtained. The speed distribution of excited-state chlorine atoms consists of high translation energy (ET) and low ET components, which are related to direct dissociation on 3Q0 state and predissociation on the ground state induced by internal conversion, respectively. The speed distribution of ground-state chlorine atoms also consists of high ET and low ET components which are related to predissociation between 3Q0 and 1Q1 states and predissociation on the ground state induced by internal conversion, respectively. Radical dissociation channel is confirmed, nevertheless, secondary dissociation and three-body dissociation channels are excluded.

关键词： Dichlorodifluoromethane Time-sliced velocity map imaging technology Internal conversion

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Microwave photonic crystals as an experimental realization of a combined honeycomb-kagome lattice

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physical Review B 2020年第21期102卷 214301-214301页

作者： Wulayimu Maimaiti Barbara Dietz Alexei Andreanov Center for Theoretical Physics of Complex Systems Institute for Basic Science(IBS) Daejeon 34126 Korea Basic Science Program(IBS School) Korea University of Science and Technology(UST) Daejeon 34113 Korea School of Physical Science and Technology and Key Laboratory for Magnetism and Magnetic Materials of MOE Lanzhou University Lanzhou China

In 2015, experiments were performed with superconducting microwave photonic crystals emulating artificial graphene [B. Dietz et al., Phys. Rev. B 91, 035411 (2015)]. The associated density of states comprises two Dirac points with adjacent bands including van Hove singularities, thus exhibiting the characteristic features originating from the extraordinary electronic band structure of graphene. They are separated by a narrow region of particularly high resonance density corresponding to a nearly flatband in the band structure, which is reminiscent of that of a honome lattice—a combination of two sublattices: honeycomb and kagome. We demonstrate that, indeed, the density of states, and also the eigenmode properties and the fluctuations in the resonance-frequency spectra are well reproduced by a tight-binding model based on the honome lattice. A good description was achieved by means of the reverse Monte Carlo approach, thereby confirming our interpretation of the microwave photonic crystal as an experimental realization of a honome lattice and providing an answer to longstanding problem, namely the understanding of the origin of the flatband bordered by two Dirac points, generally observed in microwave photonic crystals of different shapes.

关键词： Crystal structure Density of states Electronic structure Band structure methods Tight-binding model

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Visualizing Higher-Fold Topology in Chiral Crystals

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physical Review Letters 2023年第6期130卷 066402-066402页

作者： Tyler A. Cochran Ilya Belopolski Kaustuv Manna Mohammad Yahyavi Yiyuan Liu Daniel S. Sanchez Zi-Jia Cheng Xian P. Yang Daniel Multer Jia-Xin Yin Horst Borrmann Alla Chikina Jonas A. Krieger Jaime Sánchez-Barriga Patrick Le Fèvre François Bertran Vladimir N. Strocov Jonathan D. Denlinger Tay-Rong Chang Shuang Jia Claudia Felser Hsin Lin Guoqing Chang M. Zahid Hasan Laboratory for Topological Quantum Matter and Advanced Spectroscopy (B7) Department of Physics Princeton University Princeton New Jersey 08544 USA Max Planck Institute for Chemical Physics of Solids 01187 Dresden Germany Department of Physics Indian Institute of Technology Delhi Hauz Khas New Delhi 110016 India Department of Physics National Cheng Kung University Tainan 70101 Taiwan Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University 21 Nanyang Link 637371 Singapore International Center for Quantum Materials School of Physics Peking University Beijing 100871 China Swiss Light Source Paul Scherrer Institute 5232 Villigen Switzerland Laboratory for Muon Spin Spectroscopy Paul Scherrer Institute 5232 Villigen Switzerland Helmholtz-Zentrum Berlin für Materialien und Energie Elektronenspeicherring BESSY II Albert-Einstein Strasse 15 12489 Berlin Germany IMDEA Nanoscience C/ Faraday 9 Campus de Cantoblanco 28049 Madrid Spain SOLEIL Synchrotron L’Orme des Merisiers Départementale 128 F-91190 Saint-Aubin France Advanced Light Source Lawrence Berkeley National Laboratory Berkeley California 94720 USA Institute of Physics Academia Sinica Taipei 11529 Taiwan Princeton Institute for Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA Lawrence Berkeley National Laboratory Berkeley California 94720 USA

Novel topological phases of matter are fruitful platforms for the discovery of unconventional electromagnetic phenomena. Higher-fold topology is one example, where the low-energy description goes beyond standard model analogs. Despite intensive experimental studies, conclusive evidence remains elusive for the multigap topological nature of higher-fold chiral fermions. In this Letter, we leverage a combination of fine-tuned chemical engineering and photoemission spectroscopy with photon energy contrast to discover the higher-fold topology of a chiral crystal. We identify all bulk branches of a higher-fold chiral fermion for the first time, critically important for allowing us to explore unique Fermi arc surface states in multiple interband gaps, which exhibit an emergent ladder structure. Through designer chemical gating of the samples in combination with our measurements, we uncover an unprecedented multigap bulk boundary correspondence. Our demonstration of multigap electronic topology will propel future research on unconventional topological responses.

关键词： Density of states Electronic structure Fermions Quasiparticles & collective excitations Surface states Topological materials Topological phases of matter Semimetals Single crystal materials Angle-resolved photoemission spectroscopy Density functional theory Photoemission spectroscopy

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Superconducting dome associated with the suppression and re-emergence of charge density wave states upon sulfur substitution in CuIr2Te4 chalcogenides

arXiv

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arXiv 2022年

作者： Boubeche, Mebrouka Wang, Ningning Sun, Jianping Yang, Pengtao Zeng, Lingyong Luo, Shaojuan He, Yiyi Yu, Jia Wang, Meng Cheng, Jinguang Luo, Huixia School of Materials Science and Engineering State Key Laboratory of Optoelectronic Materials and Technologies Key Lab of Polymer Composite & Functional Materials Guangzhou Key Laboratory of Flexible Electronic Materials and Wearable Devices Sun Yat-Sen University No. 135 Xingang Xi Road Guangzhou510275 China Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences School of Physical Sciences University of Chinese Academy of Sciences Beijing100190 China School of Chemical Engineering and Light Industry Guangdong University of Technology Guangzhou510006 China Center for Neutron Science and Technology School of Physics Sun Yat-Sen University Guangzhou510275 China

We report the path from the charge density wave (CDW)-bearing superconductor CuIr2Te4 to the metal insulator transition (MIT)-bearing compound CuIr2S4 by chemical alloying with the gradual substitution of S for Te. The evolution of structural and physical properties of the CuIr2Te4-xSx (0 ≤ x ≤ 4) polycrystalline system is systemically examined. The X-ray diffraction (XRD) results imply CuIr2Te4-xSx (0 ≤ x ≤ 0.5) crystallizes in a NiAs defected trigonal structure, whereas it adapts to the cubic spinel structure for 3.6 ≤ x ≤ 4 and it is a mixed phase in the doping range of 0.5 2Te4-xSx system is assembled, where the superconducting dome is associated with the suppression and re-emergence of CDW as well as MIT states at the end upon sulfur substitution in the CuIr2Te4-xSx chalcogenides. Copyright © 2022, The Authors. All rights reserved.

关键词： Metal insulator boundaries

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Spectral evidence for unidirectional charge density wave in detwinned BaNi2As2

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physical Review B 2023年第8期108卷 L081104-L081104页

作者： Yucheng Guo Mason Klemm Ji Seop Oh Yaofeng Xie Bing-Hua Lei Luca Moreschini Cheng Chen Ziqin Yue Sergey Gorovikov Tor Pedersen Matteo Michiardi Sergey Zhdanovich Andrea Damascelli Jonathan Denlinger Makoto Hashimoto Donghui Lu Chris Jozwiak Aaron Bostwick Eli Rotenberg Sung-Kwan Mo Rob G. Moore Junichiro Kono Robert J. Birgeneau David J. Singh Pengcheng Dai Ming Yi Department of Physics and Astronomy Rice University Houston Texas 77005 USA Advanced Light Source Lawrence Berkeley National Laboratory Berkeley California 94720 USA Department of Physics University of California Berkeley California 94720 USA Department of Physics and Astronomy University of Missouri Columbia Missouri 65211 USA Materials Science Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA Department of Physics University of Oxford Oxford OX1 3PU United Kingdom Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston Texas 77005 USA Canadian Light Source Inc. 44 Innovation Boulevard Saskatoon SK S7N 2V3 Canada Department of Physics and Astronomy University of British Columbia Vancouver British Columbia V6T 1Z1 Canada Quantum Matter Institute University of British Columbia Vancouver British Columbia V6T 1Z4 Canada Max Planck Institute for Chemical Physics of Solids Nöthnitzer Straße 40 01187 Dresden Germany Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory Menlo Park California 94025 USA Materials Science and Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Department of Electrical and Computer Engineering Rice University Houston Texas 77005 USA Smalley-Curl Institute Rice University Houston Texas 77005 USA Department of Materials Science and NanoEngineering Rice University Houston Texas 77005 USA Department of Chemistry University of Missouri Columbia Missouri 65211 USA

In the iron-based superconductors, unconventional superconductivity emerges in proximity to intertwined electronic orders consisting of an electronic nematic order and a spin density wave (SDW). Recently, BaNi2As2, like its well-known iron-based analog BaFe2As2, has been discovered to host a symmetry-breaking structural transition but coupled to a unidirectional charge density wave (CDW) instead of SDW, providing a novel platform to study intertwined orders. Here, through a systematic angle-resolved photoemission spectroscopy study combined with a detwinning B1g uniaxial strain, we identify distinct spectral evidence of band evolution due to the structural transition as well as CDW-induced band folding. In contrast to the nematicity and spin density wave in BaFe2As2, the structural and CDW order parameters in BaNi2As2 are observed to be strongly coupled and do not separate in the presence of uniaxial strain. Furthermore, no nematic band splitting is resolved above the structural transition. Our measurements point to a likely lattice origin of the CDW order in BaNi2As2.

关键词： Charge density waves Nematic phase transition Iron-based superconductors Angle-resolved photoemission spectroscopy

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