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Bismuth-based halide double perovskite Cs_(2)KBiCl_(6): Disorder and luminescence

Chinese Chemical Letters 2024年第5期35卷 504-508页

作者： Pan Liu Yanming sun Alberto j.fernández-Carrión Bowen Zhang Hui Fu Lunhua He Xing Ming Congling Yin Xiaojun Kuang MOE Key Laboratory of New Processing Technology for Nonferrous Metal and Materials Guangxi Key Laboratory of Optic and Electronic Materials and DevicesCollege of Materials Science and EngineeringGuilin University of TechnologyGuilin 541004China Analytical Instrumentation Center College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China spallation Neutron source science Center Dongguan 523803China Chinese Academic of science Institute of PhysicsBeijing National Laboratory for Condensed Matter PhysicsBeijing 100190China songshan Lake Materials Laboratory Dongguan 523808China College of science Guilin University of TechnologyGuilin 541004China College of Chemistry and Bioengineering Guilin University of TechnologyGuilin 541004China

A new bismuth-based halide double perovskite Cs_(2)KBiCl_(6) was isolated successfully through solid-state reactions and investigated using X-ray and neutron *** than an ordered structure,the crystal structure consists of shifted Cs,K,Bi,and Cl sites from the ideal positions with fractional occupancy in compensation,leading to variable local coordination of Cs^(+)ions,as revealed by^(133)Cs solid-state nuclear magnetic resonance ***_(2)KBiCl_(6) displays volume hysteresis at 5-298 K range upon heating and *** Cs_(2)KBiCl_(6) has a direct bandgap of 3.35(2)eV and red-shift luminescence of around 600 nm upon Mn doping compared with the Na *** stabilization of disordered structure in Cs_(2)KBiCl_(6) is related to two factors including the large-sized K^(+)cation which prefers to coordinate with more than six Cl^(-),and the Bi^(3+)with 6s^(2) lone pair which has a preference for a local asymmetric *** findings could have general application and help to understand the structure and property of halide perovskites.

关键词： Halide perovskite Double perovskite Luminescence Disordered structure Direct bandgap

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Annual variation of adult survival of a south-temperate House Wren population in Argentina

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Avian Research 2024年第2期15卷 229-237页

作者： Gustavo j.fernandez Mariana E.Carro Paulo E.Llambías Grupo de Investigacion en Ecofisiología de Fauna silvestre INIBIOMA-CONICETAsentamiento Universitario San Martín de los Andes(AUSMA)Universidad Nacional Del ComahuePasaje de la Paz 235(8370)San Martín de los AndesNeuquenArgentina Grupo de Investigacion de Biología de Aves IADIZA CCT-MendozaUniversidad Nacional de CuyoAvenida RuizLeal s/n Parque General San Martin5500MendozaArgentina

Identifying factors affecting the survival of individuals is essential for understanding the evolution of life-history traits and population *** numerous studies on this subject in north-temperate environments,there is a lack of equivalent studies at similar latitudes in the ***,we used a 14-year dataset of capture,banding,and resighting to estimate the annual variation in the apparent adult survival probability of a south-temperate population of House Wrens(Troglodytes aedon bonariae).We evaluated temporal variation in sur-vival and the effect of environmental(climatic)and demographic variables(adult abundance,total number of fledglings produced during each breeding season)on survival *** found that the probability of adult survival decreased as the abundance of breeding adults *** density-dependent effect could be related to the resident lifestyle of southern House Wrens,which could determine an intense competition for territories and resources that ultimately would affect their survival.

关键词： Annual variation Cjs Density-dependence survival Troglodytes aedon bonariae

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AN OPTIMAL CONTROL PROBLEM FOR A LOTKA-VOLTERRA COMPETITION MODEL WITH CHEMO-REPULsION

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Acta Mathematica scientia 2024年第2期44卷 721-751页

作者： Diana I.HERNÁndez Diego A.RUEDA-GOMEZ Élder j.VILLAMIZAR-ROA Universidad Industrial de santander Escuela de MatemáticasA.A.678BucaramangaColombia

In this paper we study a bilinear optimal control problem for a diffusive Lotka-Volterra competition model with chemo-repulsion in a bounded domain of ℝ^(ℕ),N=2,*** model describes the competition of two species in which one of them avoid encounters with rivals through a chemo-repulsion *** prove the existence and uniqueness of weak-strong solutions,and then we analyze the existence of a global optimal solution for a related bilinear optimal control problem,where the control is acting on the chemical ***,we derive first-order optimality conditions for local optimal solutions using the Lagrange multipliers ***,we propose a discrete approximation scheme of the optimality system based on the gradient method,which is validated with some computational experiments.

关键词： Lotka-Volterra chemo-repulsion optimal control optimality conditions

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The dark side of cyclooctatetraene(COT):Photophysics in the singlet states of“self-healing”dyes

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Chinese Chemical Letters 2024年第8期35卷 225-228页

作者： supphachok Chanmungkalakul syed Ali Abbas Abedi Federico j.Hernández jianwei Xu Xiaogang Liu Fluorescence Research Group Singapore University of Technology and DesignSingapore 487372Singapore Department of Chemistry University College LondonLondon WC1H 0AJUnited Kingdom Institute of sustainability for Chemicals Energy and Environment(ISCE2)Agency for ScienceTechnology and Research(A^(∗)STAR)Jurong Island 627833Singapore

Cyclooctatetraene(COT)attachment to fluorophores(“self-healing”dyes)is known for quenching reac-tive triplet states via triplet-state energy transfer(TET),enhancing ***,COT’s impact on singlet states remains *** calculations reveal that COT induces energy transfer to dark states in deep blue dyes while promoting photoinduced electron transfer(PET)and intersystem crossing(IsC)in visible dyes,potentially compromising brightness and/or *** address this,we pro-pose the use of △E descriptor to optimize COT’s *** findings uncover COT’s multifaceted *** insights will guide the development of superior triplet state quenchers and photostable dyes.

关键词： Cyclooctatetraene Photostability Triplet state quencher Energy transfer Electron transfer

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Timing and spectral Analysis of the Black Hole X-Ray Binary MAXI j1803-298 with Insight-HXMT Data

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Research in Astronomy and Astrophysics 2024年第6期24卷 209-224页

作者： Ying-Chen Xu jin-Lu Qu MMéndez Rui-Can Ma Long ji Liang Zhang Yue Huang Qing-Cui Bu Li-Ming song Key Laboratory of Particle Astrophysics Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China University of Chinese Academy of sciences Chinese Academy of SciencesBeijing 100049China Kapteyn Astronomical Institute University of GroningenP.O.BOX 8009700 AV GroningenThe Netherlands Dongguan Neutron science Center Dongguan 523808China school of Physics and Astronomy Sun Yat-Sen UniversityZhuhai 519082China Institut für Astronomie und Astrophysik Kepler Center for Astro and Particle PhysicsEberhard Karls UniversitätSand 1D-72076 TübingenGermany

We present a comprehensive analysis of the 2021 outburst of MAXI j1803–298 utilizing observations of the Insight-Hard X-ray Modulation Telescope(Insight-HXMT)spanning from the low hard state to the high soft *** the Insight-HXMT data set,compared to the previous work,we identify a more prolonged presence of typeC quasi-periodic oscillations(QPOs)with centroid frequencies ranging from~0.16 to 6.3 Hz,which present correlations with the hardness ratio and the photon index of the Comptonized *** QPO frequencies less than~2 Hz,the QPO phase lags are hard(photons of 10–19 keV arrive later than those of 1–4 keV),while at higher frequencies,the lags become soft at and above~4 ***,the spectra in all Insight-HXMT observations consist of a multi-color blackbody component and a Comptonized component,as commonly observed in classical black hole X-ray *** analyze state transitions and the evolution of accretion geometry in this *** fitted inner disk radius increases abnormally during the low hard state,hypothesized to result from the corona condensing onto the inner ***,two significant drops in flux are observed during the soft intermediate state,maybe implying changes in the corona/jet and the disk,respectively.

关键词： X-rays:binaries accretion accretion disks stars:black holes

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synthesis of coral-like structures of Pr-Yb co-doped YIG: structural,optical, magnetic and antimicrobial properties

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journal of Rare Earths 2024年第3期42卷 543-554,I0004页

作者： A.fernandez Francisca P.Araujo Y.Guerra s.Castro-Lopes j.Matilla-Arias Idglan s.de Lima Edson C.silva-Filho j.sy A.Osajima F.Guerrero R.Pena-Garcia Federal University of Piau Graduate Program in Materials Science and EngineeringTeresinaPIBrazil Federal Rural University of Pernambuco Academic Unit of Cabo de Santo AgostinhoCabo de Santo AgostinhoPEBrazil Federal University of Piaui Department of PhysicTeresinaPBrazil Federal University of Pernambuco Graduate Program in Materials ScienceRecifePEBrazil University of Granma Departmentof Basic Sciences and Applied InformaticsFaculty of Technical SciencesBayamoCuba Federal University of Amazonas Department of PhysicManausAMBrazil Federal University of Pernambuco Department of PhysicRecifePEBrazil

Coral-like structures of the Y_(3-x)Pr_(x)Fe_(5-y)Yb_(y)O_(12),(0.00 ≤ x ≤ 0.04, 0.00 ≤ y ≤ 0.02) compound were synthesized using the sol-gel method. structural investigation certified the YIG cubic crystal structure formation, without any secondary phase. It is shown that, the relatively large ionic radius of the dopant cations results in an expansion of the lattice parameter, variations in the Iona-O-Iondangle, Iona-O,Iond-O and Ionc-O bond distances and decrease in the average crystallite size. Fourier transform infrared(FTIR) and Raman measurements are essential to testify the single-phase formation of YIG crystal structure and are observed changes in the stretching and vibrational modes, respectively. The morphological study, energy dispersive spectroscopy(EDs) spectra and textural properties show corallike structures, peaks associated with Pr^(3+) and Yb^(3+) atoms and the effect of dopants on surface area,diameter, and pore volume, respectively. The optical analysis from diffuse reflectance spectra witnessed an increase in the optical gap band, a decrease in Urbach energy and blue shift in the charge transfer,correlated with the expansion of the unit cell due to the dopant's insertion in the YIG structure. A typical ferrimagnetic behavior is exhibited by the Y_(3-x)Pr_(x)Fe_(5-y)Yb_(y)O_(12)compound. The saturation magnetization(M_(s)), cubic anisotropy constant(K_(1)) and coercive field(H_(c)) increase with the Pr^(3+)cations content, as consequence of their magnetic nature and distribution around of Fe^(3+)ions due to the coexistence with the Yb^(3+). Finally, for the first time, antibacterial tests by mean of the direct contact method were performed for YIG co-doped with Pr^(3+)and Yb^(3+)and it is shown that, relatively high dosages of Pr^(3+) cations favored the activity against s. aureus, therefore, a new biological property for YIG doped with rare earths is presented.

关键词： Yttrium iron garnet(YIG) Coral-like structures Rare earths Band gap energy Magnetic properties Antimicrobial properties

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Generalized polynomial chaos expansion by reanalysis using static condensation based on substructuring

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Applied Mathematics and Mechanics(English Edition) 2024年第5期45卷 819-836页

作者： D.LEE s.CHANG j.LEE Department of Automotive Engineering Hanyang UniversitySeoul 04763Republic of Korea school of Mechanical Engineering Chungnam National UniversityDaejeon 34134Republic of Korea Department of Mechanical Robotics and Energy EngineeringDongguk UniversitySeoul 04620Republic of Korea

This paper presents a new computational method for forward uncertainty quantification(UQ)analyses on large-scale structural systems in the presence of arbitrary and dependent random *** method consists of a generalized polynomial chaos expansion(GPCE)for statistical moment and reliability analyses associated with the stochastic output and a static reanalysis method to generate the input-output data *** the reanalysis,we employ substructuring for a structure to isolate its local regions that vary due to random *** allows for avoiding repeated computations of invariant substructures while generating the input-output data *** substructuring with static condensation further improves the computational efficiency of the reanalysis without losing ***,the GPCE with the static reanalysis method can achieve significant computational saving,thus mitigating the curse of dimensionality to some degree for UQ under high-dimensional *** numerical results obtained from a simple structure indicate that the proposed method for UQ produces accurate solutions more efficiently than the GPCE using full finite element analyses(FEAs).We also demonstrate the efficiency and scalability of the proposed method by executing UQ for a large-scale wing-box structure under ten-dimensional(all-dependent)random inputs.

关键词： forward uncertainty quantification(UQ) generalized polynomial chaos expansion(GPCE) static reanalysis method static condensation substructuring

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Background removal from global auroral images:Data-driven dayglow modeling

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Earth and Planetary Physics 2024年第1期8卷 247-257页

作者： A.Ohma M.Madelaire K.M.Laundal j.P.Reistad s.M.Hatch s.Gasparini s.j.Walker Birkeland Centre for space science Department of Physics and TechnologyUniversity of BergenBergenNorway

Global images of auroras obtained by cameras on spacecraft are a key tool for studying the near-Earth ***,the cameras are sensitive not only to auroral emissions produced by precipitating particles,but also to dayglow emissions produced by photoelectrons induced by *** emissions and scattered sunlight can contribute to the background *** fully utilize such images in space science,background contamination must be removed to isolate the auroral *** we outline a data-driven approach to modeling the background intensity in multiple images by formulating linear inverse problems based on B-splines and spherical *** approach is robust,flexible,and iteratively deselects outliers,such as auroral *** final model is smooth across the terminator and accounts for slow temporal variations and large-scale asymmetries in the *** demonstrate the model by using the three far ultraviolet cameras on the Imager for Magnetopause-to-Aurora Global Exploration(IMAGE)*** method can be applied to historical missions and is relevant for upcoming missions,such as the solar wind Magnetosphere Ionosphere Link Explorer(sMILE)mission.

关键词： aurora dayglow modeling global auroral images far ultraviolet images dayglow removal

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Mathematical modeling and simulations of stress mitigation by coating polycrystalline particles in lithium-ion batteries

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Applied Mathematics and Mechanics(English Edition) 2024年第6期45卷 947-962页

作者： N.IQBAL j.CHOI s.F.sHAH C.LEE s.LEE Department of Mechanical Roboticsand Energy EngineeringDongguk University-SeoulSeoul 04620Republic of Korea

A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyCo_(z)O_(2)(x≥0.8)(NMC)particles with poly(3,4-ethylenedioxythiophene)(PEDOT).The simulation results show that the coating of primary NMC particles significantly reduces the stress generation by efficiently accommodating the volume change associated with the lithium diffusion,and the coating layer plays roles both as a cushion against the volume change and a channel for the lithium transport,promoting the lithium distribution across the secondary particles more ***,the lower stiffness,higher ionic conductivity,and larger thickness of the coating layer improve the stress *** paper provides a mathematical framework for calculating the chemo-mechanical responses of anisotropic electrode materials and fundamental insights into how the coating of NMC active particles mitigates stress levels.

关键词： lithium-ion battery(LIB) polycrystalline particle coating finite element simulation Ni-rich LiNixMnyCo_(z)O_(2)(x>0.8)(NMC)

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Mathematical modelling of ball and plate system with experimental and correlation function-based model validation

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Control Theory and Technology 2024年第2期22卷 326-341页

作者： T.R.Dil Kumar s.j.Mija Department of Electrical Engineering National Institute of Technology CalicutKozhikode673601KeralaIndia

The ball and plate system is an inherently nonlinear under actuated benchmark system used for validating the performance of various control schemes. A mathematical model depicting the dynamics close to that of the system is very much required for such a test bed. In this correspondence, the complete nonlinear model, a simplified nonlinear model, and a linearized model of the ball and plate system are developed. The system comprises a ball and plate mechanism and a rotary servo unit. The ball and plate mechanism is modelled using the Euler–Lagrange method, whereas the rotary servo subsystem is modelled from the first principles. The nonlinear model of the combined system is developed by including the dynamics of the servo motor with gear and rolling resistance between the ball and the plate. The simplified nonlinear model of the system is obtained with suitable assumptions. The model is linearized around the operating point using the jacobian. The validity of the developed models is investigated through correlation function analysis. The open-loop response of the three models, viz., nonlinear, simplified nonlinear, and linearized models, is analyzed in the MATLAB/simulink platform. since the open-loop system is unstable, the experimental validation of the model is performed with a double-loop PsO (particle swarm optimization) PID control scheme.

关键词： Ball and plate system Correlation function Model validation Particle swarm optimization(PsO) PsO PID controller

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