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Parallelization strategies for resolved simulations of fluid-structure-particle interactions

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Applied Mathematics and Mechanics(English Edition) 2024年第5期45卷 857-872页

作者： Jianhua qin Fei LIAO Guodan dong Xiaolei YANG The State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of SciencesBeijing 100190China Interdisciplinary Center for Fundamental and Frontier Sciences Nanjing University of Science and TechnologyJiangyin 214443Jiangsu ProvinceChina School of Aeronautics Northwestern Polytechnical UniversityXi'an 710072China School of Engineering Sciences University of Chinese Academy of SciencesBeijing 100049China

Fluid-structure-particle interactions in three spatial dimensions happen in many environmental and engineering *** paper presents the parallel algorithms for the hybrid diffuse and sharp interface immersed boundary(IB)method developed in our previous *** the moving structure modeled using the sharp interface IB method,a recursive box method is developed for efficiently classifying the background grid *** the particles modeled using the diffuse interface IB method,a‘master-slave’approach is *** the particle-particle interaction(PPI)and particle-structure interaction(PSI),a fast algorithm for classifying the active and inactive Lagrangian points,which discretize the particle surface,is developed for the‘dry’contact *** results show that the proposed recursive box method can reduce the classifying time from 52seconds to 0.3 *** parallel efficiency is obtained for cases with different particle ***,the lubrication model is utilized when a particle approaches a wall,enabling an accurate simulation of the rebounding phenomena in the benchmark particle-wall collision *** last,the capability of the proposed computational framework is demonstrated by simulating particle-laden turbulent channel flows with rough walls.

关键词： particle-resolved direct numerical simulation particle-laden flow complex geometry resolved fluid-structure-particle interaction(RFSPI) immersed boundary(IB)method

Tetrabromobisphenol A exerts thyroid disrupting effects but has little overt impact on postnatal brain development and neurobehaviors in mice

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Journal of Environmental Sciences 2024年第8期142卷 1-10页

作者： Shilin Song Yuanyuan Li Lin Lv Mengqi dong Zhanfen qin State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China College of Resources and Environment University of Chinese Academy of SciencesBeijing 100049China School of Environment Tsinghua UniversityBeijing 100084China

Tetrabromobisphenol A(TBBPA)is a widely used brominated flame *** is evidence showing that TBBPA can exert thyroid disrupting effects in mammals,but different results were also reported,along with inconsistent reports regarding its ***,we investigated thyroid disrupting effects and neurotoxicity of TBBPA(5,50,500μg/(kg·day))to male mice following maternal and direct exposure through drinking water,with the antithyroid drug propylthiouracil(PTU)as the positive *** postnatal day(PND)15,we expectedly observed severe thyroid compensatory hyperplasia and cerebellar developmental retardation in PTU-treated *** highest dose of TBBPA also caused thyroid histological alteration but had no effects on cerebellar development in terms of Purkinje cell morphology and the thickness of the internal granular layer and the molecular layer of the *** puberty and adulthood,the thyroid morphological alterations became more pronounced in the TBBPA-treated animals,accompanied by decreased serum thyroid hormone ***,the 50 and 500μg/(kg·day)TBBPA groups showed a significant decrease in the serum level of serotonin,a neurotransmitter associated with anxiety ***,the highest dose group displayed anxiety-like behaviors in the elevated plus-maze test on PND 35,but this neurobehavioral alteration disappeared on PND ***,no changes in neurobehavioral parameters tested were found in TBBPAtreated animals at puberty and ***,all observations show that TBBPA can exert thyroid disrupting effects but has little overt impact on brain development and neurobehaviors in mice,suggesting that thyroid disruption does not necessarily cause overtly adverse neurodevelopmental outcomes.

关键词： Tetrabromobisphenol A Thyroid disruption Brain development Neurobehavior Cerebellum

Chain Extender-induced Hydrogen Bonding Organization Determines the Morphology and Properties of Thermoplastic Polycarbonate Polyurethane

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Chinese Journal of Polymer Science 2024年第1期42卷 87-96,I0009页

作者： Yi-Lang qin Ping Zhu Chen-Xi Ouyang Xia dong Fuwai Hospital Chinese Academyof Medical Sciences&Peking Union Medical College/National Center for Cardiovascular DiseasesBejing 100037China CASKey Laboratoryof Engineering Plastics CAS Research/Education Centerfor Excellence in Molecular SciencesInstitute ofChemistryChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

Thermoplastic polycarbonate polyurethanes(PCUs) are multiblock copolymers that have been applied for medical devices for long time. Aliphatic diols are common chain extenders(CE) involved in the composition of the hard segments of PCU. However, limited knowledge was discovered about how the chemical structure of CE affects the hydrogen bonding organization within PCUs and their mechanical *** investigate this problem, a group of PCUs were synthesized respectively by extending the polymer chain with 1,4-butanediol(BDO),aminoethanol(MEA), ethanediol(EO) as three kinds of chain extenders. Tiny differences in the CE chemical structure results in remarkable variations in phase separation, condensed morphologies, thermal and mechanical properties, which are characterized by Fourier transform infrared spectrometer, atomic force microscopy, small-angle X-ray scattering, differential scanning calorimetry, and tensile tests. The microstructural evolution during unilateral deformation and the different mechanism induced by the different CEs was probed and unveil by in situ wide-and small-angle X-ray diffraction. Symmetry of CE can improve the organization of the hydrogen bonding. The coherence strength of the urethane/urea group also plays a key role by comparing the two PCUs with ethanediol and aminoethanol.

关键词： Thermoplastic polycarbonate polyurethane Chain extender Hydrogen bonding Mechanical properties

Rapid Energy Exchange between In Situ Formed Bromine Vacancies and CO_(2)Molecules Enhances CO_(2)Photoreduction

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Research 2024年第2期2023卷 763-771页

作者： qin Ren Ye He Hong Wang Yanjuan Sun Fan dong Research Center for Environmental and Energy Catalysis Institute of Fundamental and Frontier SciencesUniversity of Electronic Science and Technology of ChinaChengdu 611731China School of Resources and Environment University of Electronic Science and Technology of ChinaChengdu 611731China

Photocatalytic reduction of CO_(2)into fuels provides a prospective tactic for regulating the global carbon balance utilizing renewable solar ***,CO_(2)molecules are difficult to activate and reduce due to the thermodynamic stability and chemical *** this work,we develop a novel strategy to promote the adsorption and activation of CO_(2)molecules via the rapid energy exchange between the photoinduced Br vacancies and CO_(2)*** in situ continuous wave-electron paramagnetic resonance(cw-EPR)and pulsed EPR technologies,we observe that the spin-spin relaxation time(T_(2))of BiOBr is decreased by 198 ns during the CO_(2)photoreduction reaction,which is further confirmed by the broadened EPR *** result reveals that there is an energy exchange interaction between in situ formed Br vacancies and CO_(2)molecules,which promotes the formation of high-energy CO_(2)molecules to facilitate the subsequent reduction *** addition,theoretical calculations indicate that the bended CO_(2)adsorption configuration on the surface of BiOBr with Br vacancies caused the decrease of the lowest unoccupied molecular orbital of the CO_(2)molecule,which makes it easier for CO_(2)molecules to acquire electrons and get *** situ diffuse reflectance infrared Fourier transform spectroscopy further shows that the activated CO_(2)molecules are favorably converted to key intermediates of COOH*,resulting in a CO generation rate of 9.1μmol g^(-1)h^(-1)and a selectivity of 100%.This study elucidates the underlying mechanism of CO_(2)activation at active sites and deepens the understanding of CO_(2)photoreduction reaction.

关键词： reaction. adsorption activation

Effect of multiple coulomb scattering on the beam tests of silicon pixel detectors

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Nuclear Science and Techniques 2024年第4期35卷 200-207页

作者： Lan-Kun Li Ming-Yi dong ze Gao Liang-Cheng-Long Jin Shu-Jun Zhao School of Physics and Microelectronics Zhengzhou UniversityZhengzhou 450001China State Key Laboratory of Particle Detection and Electronics(Institute of High Energy Physics CAS)Beijing 100049China University of Chinese Academy of Science Beijing 100049China University of South China Hengyang 421001China

In the research and development of new silicon pixel detectors,a collimated monoenergetic charged-particle test beam equipped with a high-resolution pixel-beam telescope is crucial for prototype verification and performance *** the beam energy is low,the effect of multiple Coulomb scattering on the measured resolution of the Device Under Test(DUT)must be considered to accurately evaluate the performance of the pixel chips and *** study aimed to investigate the effect of multiple Coulomb scattering on the measured resolution,particularly at low beam *** were conducted using Allpix^(2) to study the effects of multiple Coulomb scattering under different beam energies,material budgets,and telescope *** simulations also provided the minimum energy at which the effect of multiple Coulomb scattering could be *** with the results of a five-layer detector system tested with an electron beam at DESY,the simulation results were consistent with the beam test results,confirming the reliability of the simulations.

关键词： Silicon Pixel Detectors Beam Telescope Multiple Coulomb Scattering Spatial Resolution

Graphene photodetectors integrated with silicon and perovskite quantum dots

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Microsystems & Nanoengineering 2024年第3期10卷 21-33页

作者： Kashif Abbas Peirui Ji Naveed Ullah Shareen Shafique ze Zhang Muhammad Faizan Ameer Shenghan qin Shuming Yang State Key Laboratory for Manufacturing Systems Engineering Xi’an Jiaotong UniversityXi’an 710049China Department of Microelectronic Science and Engineering Laboratory of Clean Energy Storage and ConversionSchool of Physical Science and TechnologyNingbo Collaborative Innovation Center of Nonlinear Calamity System of Ocean and AtmosphereNingbo UniversityNingbo 315211China

Photodetectors(PDs)play a crucial role in imaging,sensing,communication systems,***(Gr),a leading two-dimensional material,has demonstrated significant potential for photodetection in recent ***,its relatively weak interaction with light poses challenges for practical *** integration of silicon(Si)and perovskite quantum dots(PQDs)has opened new avenues for Gr in the realm of next-generation *** review provides a comprehensive investigation of Gr/Si Schottky junction PDs and Gr/PQD hybrid PDs as well as their *** operating principles,design,fabrication,optimization strategies,and typical applications of these devices are studied and *** these discussions,we aim to illuminate the current challenges and offer insights into future directions in this rapidly evolving field.

关键词： quantum discussions summarized

Anthropogenic Influence on Decadal Changes in Concurrent Hot and Dry Events over China around the Mid-1990s

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Advances in Atmospheric Sciences 2024年第2期41卷 233-246页

作者： qin SU Buwen dong Fangxing TIAN Nicholas P.KLINGAMAN Yunnan Key Laboratory of Meteorological Disasters and Climate Resources in the Great Mekong Subregion Yunnan UniversityKunming 650500China Department of Atmospheric Sciences Yunnan UniversityKunming 650500China National Centre for Atmospheric Science Department of MeteorologyUniversity of ReadingReadingRG66BBUK Geofysisk Institut University of BergenBergen 5007Norway Citadel Investment Group Moor House120 London WallLondonRG66BBUK

The frequency and duration of observed concurrent hot and dry events(HDEs) over China during the growing season(April–September) exhibit significant decadal changes across the mid-1990s. These changes are characterized by increases in HDE frequency and duration over most of China, with relatively large increases over southeastern China(SEC), northern China(NC), and northeastern China(NEC). The frequency of HDEs averaged over China in the present day(PD,1994–2011) is double that in the early period(EP, 1964–81);the duration of HDEs increases by 60%. Climate experiments with the Met Office Unified Model(MetUM-GOML2) are used to estimate the contributions of anthropogenic forcing to HDE decadal changes over China. Anthropogenic forcing changes can explain 60%–70% of the observed decadal changes,suggesting an important anthropogenic influence on HDE changes over China across the mid-1990s. Single-forcing experiments indicate that the increase in greenhouse gas(GHG) concentrations dominates the simulated decadal changes,increasing the frequency and duration of HDEs throughout China. The change in anthropogenic aerosol(AA) emissions significantly decreases the frequency and duration of HDEs over SEC and NC, but the magnitude of the decrease is much smaller than the increase induced by GHGs. The changes in HDEs in response to anthropogenic forcing are mainly due to the response of climatological mean surface air temperatures. The contributions from changes in variability and changes in climatological mean soil moisture and evapotranspiration are relatively small. The physical processes associated with the response of HDEs to GHG and AA changes are also revealed.

关键词： concurrent hot and dry events decadal variation greenhouse gases aerosol emissions

Nano-effect enhanced cooperative luminescence of Yb^(3+) clusters in bulk materials

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Journal of Rare Earths 2024年第3期42卷 473-478,I0002页

作者： Daguang Li Jiahao Cui Yanhui dong Hao Cui Dan Zhao Weiping qin State Key Laboratory on Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun130012China

In order to improve the multi-ion cooperative transition, we proposed and exploited a novel nanoscale effect, namely the nanoshell effect in bulk materials. Based on the effect, an optimal material structure was designed by coating the surfaces of Ca F_(2):Yb^(3+)micron size particles with ZrO_(2). An about 2 times higher intensity of cooperative luminescence is observed upon laser excitation at 980 nm. Dynamical analysis exhibits that the novel effect plays a key role in improving the performance of cooperative transitions. Our results also suggest that the nanoshell effect in bulk materials is likely to be significant in some special cases, which have not been reported yet in the literature.

关键词： Yb^(3+)cluster ZrO_(2) Nanoshell Enhancement Cooperative luminescence Rare earths

Indium-based electrocatalysts for CO_(2) reduction to C1 products

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Chinese Chemical Letters 2024年第6期35卷 134-145页

作者： qin Cheng Ming Huang qingqing Ye Bangwei Deng Fan dong Research Center for Carbon-Neutral Environmental&Energy Technology Institute of Fundamental and Frontier SciencesUniversity of Electronic Science and Technology of ChinaChengdu 611731China Yangtze Delta Region Institute(Huzhou)&Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaHuzhou 313000China Suzhou Industrial Technology Research Institute of Zhejiang University Suzhou 215163China

Electrocatalytic CO_(2) reduction at mild conditions is a promising strategy to transform greenhouse gases into fuels or value-added chemicals to solve the increasingly serious environmental and energy *** most crucial factor in determining the CO_(2) reduction performance is to develop efficient electrocatalysts with high selectivity and *** the various electrocatalysts,indium-based catalysts have attracted extensive attention due to their non-toxicity,low cost,and high formic acid/formate *** this work,we comprehensively review the recent development and research progress of indium-based electrocatalysts for CO_(2)*** reaction mechanism,reaction pathways,structure-activity relationship,and strategies to enhance the activity of CO_(2)RR on indium-based catalysts have also been briefly presented and ***,the existing challenges and future developments for indium-based highperformance catalysts for CO_(2)RR are proposed.

关键词： Electrocatalytic CO_(2) reduction In-based catalysts Formate Reaction mechanism Structure-activity relationship