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Ductile deformation mechanism in semiconductor α-Ag_(2)S

npj Computational Materials 2018年第1期4卷 289-294页

作者： Guodong Li Qi An Sergey I.Morozov Bo Duan William A.Goddard III Qingjie Zhang Pengcheng Zhai G.Jeffrey Snyder State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology430070 WuhanChina Department of Materials Science and Engineering Northwestern UniversityEvanstonIL 60208USA Department of Chemical and Materials Engineering University of Nevada RenoRenoNV 89557USA Department of Computer Simulation and Nanotechnology South Ural State UniversityChelyabinsk 454080Russia Materials and Process Simulation Center California Institute of TechnologyPasadenaCA 91125USA

Inorganic semiconductor α-Ag_(2)S exhibits a metal-like ductile behavior at room temperature,but the origin of this high ductility has not been fully explored *** on density function theory simulations on the intrinsic mechanical properties of α-Ag_(2)S,its underlying ductile mechanism is attributed to the following three factors:(i)the low ideal shear strength and multiple slip pathways under pressure,(ii)easy movement of Ag–S octagon framework without breaking Ag−S bonds,and(iii)a metallic Ag−Ag bond forms which suppresses the Ag-S frameworks from slipping and holds them *** easy slip pathways(or easy rearrangement of atoms without breaking bonds)in α-Ag_(2)S provide insight into the understanding of the plastic deformation mechanism of ductile semiconductor materials,which is beneficial for devising and developing flexible semiconductor materials and electronic devices.

关键词： deformation ductile ductility

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Publisher's Note: “Coupling analysis of transient aerodynamic and dynamic response of articulated heavy vehicles under crosswinds” [Phys. Fluids 34, 017106 (2022)]

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Physics of Fluids 2022年第2期34卷

作者： Qianwen Zhang (张倩文) Chuqi Su (苏楚奇) Makoto Tsubokura (坪倉誠) Zhen Hu (胡振) Yiping Wang (汪怡平) 1Hubei Key Laboratory of Advanced Technology for Automotive Components Wuhan University of Technology Wuhan 430070 China 2Hubei Collaborative Innovation Center for Automotive Components Technology Wuhan University of Technology Wuhan 430070 China 3Hubei Research Center for New Energy and Intelligent Connected Vehicle Wuhan University of Technology Wuhan 430070 China 4Graduate School of System Informatics Kobe University Kobe Hyogo 657-8501 Japan 5Complex Phenomena Unified Simulation Research Team RIKEN Advanced Institute for Computational Science Kobe Hyogo 650-0047 Japan 6Shanghai Huawei Technology Co. Shanghai 201206 China

This article was originally published online on 7 January 2022 with an incorrect page number. The correct page number is 017106. All online versions of this art

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Field tuning and rf measurements of the four-vane radio frequency quadrupole with ramped inter-vane voltage

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Physical Review Accelerators and Beams 2019年第2期22卷 020102-020102页

作者： Q. Z. Xing X. D. Yu Q. K. Guo P. F. Ma Y. Lei S. X. Zheng Y. Li S. Wang K. Liu X. L. Guan X. W. Wang B. C. Wang C. Zhao Z. M. Wang Key Laboratory of Particle & Radiation Imaging (Tsinghua University) Ministry of Education Beijing 100084 China Laboratory for Advanced Radiation Sources and Application Tsinghua University Beijing 100084 China Department of Engineering Physics Tsinghua University Beijing 100084 China State Key Laboratory of Intense Pulsed Radiation Simulation and Effect (Northwest Institute of Nuclear Technology) Xi’an 710024 China

This paper describes the physical design, rf measurement, and tuning result of a 325 MHz four-vane radio frequency quadrupole (RFQ) with a ramped inter-vane voltage. The 3-meter-long RFQ will accelerate the negative hydrogen ion beam from 50 keV to 3 MeV with a peak current of 5 mA, a pulse width of 10–40 μs, and a maximum repetition rate of 0.5 Hz. During tuning we reveal that the coupling loop of the coaxial coupler adopted for this RFQ enhances the interference between the dipole field distribution and the coupling coefficient. Therefore, an iteration method is adopted to simultaneously achieve the desired field distribution and coupling coefficient. After tuning, the relative error between the measured field distribution and the designed curve for the operating quadrupole mode is within ±2.7%, and the dipole components are about ±1.9% of the quadrupole mode. The measured coupling coefficient of the rf power coupler equals 1.03, with the desired value of 1.04.

关键词： Room temperature RF

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Explicit diagnosis of the local ozone production rate and the ozone-NOx-VOC sensitivities

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Science Bulletin 2018年第16期63卷 1067-1076页

作者： Zhaofeng Tan Keding Lu Huabin Dong Min Hu Xin Li Yuhan Liu Sihua Lu Min Shao Rong Su Haichao Wang Yusheng Wu Andreas Wahner Yuanhang Zhang State Key Joint Laboratory of Environmental Simulation and Pollution Control College of Environmental Sciences and Engineering Peking University. Beijing 100871 China Institute of Energy and Climate Research IEK-8: Troposphere Forschungszentrum julich GmbH Julich 52428 Germany Beijing Innovation Center for Engineering Sciences and Advanced Technology Peking University Beijing 100871 China

In the troposphere, ozone is a harmful gas compound to both human health and vegetation. Ozone is produced from the reaction of NO_x(@NO + NO_2) and VOCs(volatile organic compounds) with light. Due to the highly nonlinear relationships between ozone and its precursors, proper ozone mitigation relies on the knowledge of chemical mechanisms. In this study, an observation-based method is used to simulate ozone formation and elucidate its controlling factors for a rural site on the North China Plain. The instantaneous ozone production rate is calculated utilizing a box model using the dataset obtained from the Wangdu campaign. First, the model was operated in a time-dependent mode to calculate the ozone production rate at each time stamp. The calculated ozone formation rate showed a diurnal average maximum value of 17 ppbv/h(1-h diurnal averaged). The contribution of individual peroxy radicals to ozone production was analyzed. In addition, the functional dependence of calculated P(O_3) reveals that ozone production was in a NO_x-limited regime during the campaign. Furthermore, the missing peroxy radical source will further extend NO_x-limited conditions to earlier in the day, making NO_xlimitation dominate more of a day than the current chemical model predicts. Finally, a multiple scenarios mode,also known as EKMA(empirical kinetic modeling approach), was used to simulate the response of P(O_3) to the imaginary change in precursor concentrations. We found that ozone production was in the NO_x-limited region. However, the use of NO_2 measured by the molybdenum converter and/or the absence of a peroxy radical source in the current chemical model could over-emphasize the VOC-limited effect on ozone production.

关键词： Observational-based model Instantaneous ozone production rate （empirical kinetic modeling approach） EKMA

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Influence of secondary droplet on separation performance of wave-type vane separator 3

Influence of secondary droplet on separation performance of ...

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3rd International Conference on New Energy and Future Energy System, NEFES 2018

作者： Zhao, F.L. Liu, Q.F. Zhang, F. Li, J.X. Bo, H.L. Fundamental Science on Nuclear Safety and Simulation Technology Laboratory Harbin Engineering University HEILONGJIANG150001 China Institute of Nuclear and New Energy Technology Tsinghua University Key Laboratory of Advanced Reactor Engineering and Safety Ministry of Education Beijing100084 China

The steam-water separator is a vital device of the steam generator in nuclear power plant. Its separation performance greatly influences the efficiency, safety and reliability of the power station. When the droplet moves in separator, the droplet can collide with the separator wall, and the secondary droplets may generate when the collision velocity of the primary droplet is sufficiently large. To investigate the effect of secondary droplet on separation performance of the separator, the simulation is conducted using droplet motion model and generation model of secondary droplet. The trajectories of both primary droplet and secondary droplet are presented. The effect of the secondary droplet on the separator separation efficiency is analyzed. The results can guide the design of the separator, where both of the droplet motion and the secondary droplets generation need to be considered. © Published under licence by IOP Publishing Ltd.

关键词： Separators

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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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Microstructure and mechanical properties of Mg-5Li-1Al sheets prepared by accumulative roll bonding

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Journal of Materials Science & technology 2018年第2期34卷 317-323页

作者： Legan Hou Tianzi Wang Ruizhi Wu Jinghuai Zhang Milin Zhang Anping Dong Baode Sun Sergey Betsofen Boris Krit Key Laboratory of superlight Materials &Surface Technology Ministry of Education Harbin Engineering University Harbin 150001 China Suzhou Changfeng Avionics Co. LTD. Suzhou 215151 China Shanghai Key Lab of Advanced High-temperature Materials and Precision Forming Shanghai Jiao Tong University. Shanghai 200240 China Moscow Aviation Institute National Research University Moscow 109383 Russia

Ultrafine-grain and high-strength Mg-SLi-1Al sheets were prepared by accumulative roll bonding （ARB） process. Evolution of microstructure and mechanical properties of ARB-processed Mg-5Li-1Al sheets was investigated. Results show that, during ARB process, the evolution of deformation mechanism oft Mg-5Li-1Al alloy is as follows： twinning deformation, shear deformation, forming macro shear zone, and finally dynamic recrystallization （DRX）. The grain refining mechanism changes from twin DRX to rotation DRX. With the increase in ARB cycles, strength of the Mg-5Li-1Al sheets is enhanced, whilst elongation varies slightly. With the increase in rolling cycles, anisotropy of mechanical properties decreases. It is conclusive that strain hardening and grain refinement dominate the strengthening mechanism of Mg-5Li-1Al alloy.

关键词： Mg-Li alloy Accumulative roll bonding Microstructure Mechanical property

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Constraints on the two-dimensional pseudo-spin 1/2 Mott insulator description of Sr2IrO4

arXiv

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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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Coupled-Channel Interpretation of the LHCb Double-J/ψ Spectrum and Hints of a New State Near the J/ψJ/ψ Threshold

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Physical Review Letters 2021年第13期126卷 132001-132001页

作者： Xiang-Kun Dong Vadim Baru Feng-Kun Guo Christoph Hanhart Alexey Nefediev CAS Key Laboratory of Theoretical Physics Institute of Theoretical Physics Chinese Academy of Sciences Zhong Guan Cun East Street 55 Beijing 100190 China School of Physical Sciences University of Chinese Academy of Sciences Beijing 100049 China Helmholtz-Institut für Strahlen- und Kernphysik and Bethe Center for Theoretical Physics Universität Bonn D-53115 Bonn Germany Institute for Theoretical and Experimental Physics NRC “Kurchatov Institute” Moscow 117218 Russia P.N. Lebedev Physical Institute of the Russian Academy of Sciences 119991 Leninskiy Prospect 53 Moscow Russia Institute for Advanced Simulation Institut für Kernphysik and Jülich Center for Hadron Physics Forschungszentrum Jülich D-52425 Jülich Germany Moscow Institute of Physics and Technology 141700 Institutsky lane 9 Dolgoprudny Moscow Region Russia

Recently, the LHCb Collaboration reported pronounced structures in the invariant mass spectrum of J/ψ pairs produced in proton-proton collisions at the Large Hadron Collider. In this Letter, we argue that the data can be very well described within two variants of a coupled-channel approach employing T matrices consistent with unitarity: (i) with just two channels, J/ψJ/ψ and ψ(2S)J/ψ, as long as energy-dependent interactions in these channels are allowed, or (ii) with three channels J/ψJ/ψ, ψ(2S)J/ψ, and ψ(3770)J/ψ with just constant contact interactions. Both formulations hint at the existence of a near-threshold state in the J/ψJ/ψ system with the quantum numbers JPC=0++ or 2++, which we refer to as X(6200). We suggest experimental tests to check the existence of this state and discuss what additional channels need to be studied experimentally to allow for distinctive tests between the two mechanisms proposed. If the molecular nature of X(6200), as hinted by the three-channel approach, is confirmed, many other double-quarkonium states should exist driven by the same binding mechanism. In particular, there should be an ηcηc molecule with a similar binding energy.

关键词： Hadron-hadron interactions Exotic mesons Hadrons Quarkonia

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