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Effect of solvent on the initiation mechanism of living anionic polymerization of styrene:A computational study

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Chinese Journal of Chemical Engineering 2024年第5期69卷 135-142页

作者： Shen Li yin-Ning Zhou zhong-Xin liu Zheng-Hong Luo School of Chemical Engineering and Technology Hainan UniversityHaikou 570228China Department of Chemical Engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Metal Matrix CompositesShanghai Jiao Tong UniversityShanghai 200240China

For living anionic polymerization(LAP),solvent has a great influence on both reaction mechanism and *** this work,by using the classical butyl lithium-styrene polymerization as a model system,the effect of solvent on the mechanism and kinetics of LAP was revealed through a strategy combining density functional theory(DFT)calculations and kinetic *** terms of mechanism,it is found that the stronger the solvent polarity,the more electrons transfer from initiator to solvent through detailed energy decomposition analysis of electrostatic interactions between initiator and solvent ***,we also found that the stronger the solvent polarity,the higher the monomer initiation energy barrier and the smaller the initiation rate ***,initiation is more favorable at lower temperatures based on the calculated results ofΔG_(TS).Finally,the kinetic characteristics in different solvents were further examined by kinetic *** is found that in benzene and n-pentane,the polymerization rate exhibits first-order ***,slow initiation and fast propagation were observed in tetrahydrofuran(THF)due to the slow free ion formation rate,leading to a deviation from first-order kinetics.

关键词： Living anionic polymerization Solvent effect Reaction kinetics Computational chemistry Mathematical modeling Kinetic modeling

X-ray-activated Bi^(3+)/Pr^(3+)co-doped LiYGeO_4 phosphor with UV and NIR dual-emissive persistent luminescence

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Journal of Rare Earths 2024年第5期42卷 955-961,I0005页

作者： Xianggui yin Hongyun zhong Lin liu Junpeng Shi Xia Sun Yun Zhang State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou350002China Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials Xiamen Institute of Rare Earth MaterialsHaixi InstituteChinese Academy of SciencesXiamen361021China Fujian Science and Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou350108China

X-ray-activated luminescence materials have broad application prospects in photodynamic therapy of deep *** them,X-ray-activated persistent luminescence materials(PLMs)exhibiting multiple emission peaks have drawn extensive attention for the ir capacity to achieve a combination of bioimaging and therapeutic ***,we developed a novel PLM,LiYGeO_4:Bi^(3+),Pr^(3+),that simultaneously exhibits UV and NIR dual persistent luminescence(PersL)emissions after irradiation by *** material can be re peatedly excited by X-ray and emits similar lumine scence intensity every time,which shows good PersL *** addition,LiYGeO_4:Bi^(3+),Pr^(3+)exhibits photostimulated PersL properties by stimulation with a red light-emitting diode(LED)or NIR laser after long-term *** work provides a new choice of X-ray-excited PLMs with UV and NIR dual emission and the novel phosphor shows promise as a potential candidate for the integration of treatment and diagnosis of deep tumors.

关键词： Co-doping X-ray-activated Dual emissions Persistent luminescence Rare earths

Hydrogen and nitrogen absorption properties of Ce-added Zr_(2)(Fe_(1-x)Ni_(x)) alloys

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Journal of Rare Earths 2024年第6期42卷 1136-1141,I0005页

作者： Kai yin Xiaopeng liu State Key Laboratory of Advanced Materials for Smart Sensing GRINM Group Co.Ltd.Beijing10088China GRIMAT Engineering Institute Co. Ltd.Beijing101407China General Research Institute of Nonferrous Metals Beijing100088China

To improve the nitriding resistance of Zr_(2)Fe alloy,the Ce-added Zr_(2)(Fe_(1-x)Ni_(x))(x=0,0.15,0.3,0.5)alloys were prepared by magnetic levitation melting *** effects of Ni substitution for Fe on the phase structure,hydrogen and nitrogen absorption properties of the alloys were investigated by X-ray diffraction,scanning electron microscopy and p-c isotherm *** experimental results show that Ni substitution can effectively inhibit the formation of both α-Zr and ZrFe_(2) phases and promote the formation of C16 structure Zr_(2)(Fe,Ni)phase,causing Ni-substituted alloys to exhibit low nitrogen absorption rate and *** 623 K under 0.5 MPa nitrogen pressure,the nitrogen absorption capacity of Ce-added Zr_(2)(Fe_(0.5)Ni_(0.5))alloy reaches to 0.8 mL/g,much lower than that of Zr_(2)Fe alloy(1.5 mL/g).Ni substitution decreases the crystal cell volume of the C_(16)Zr_(2)(Fe,Ni)phase,resulting in an increase in the hydrogen absorption equilibrium *** 623 K under 0.05 MPa hydrogen pressure,the hydrogen absorption capacity decreases from 1.46 wt%of Zr_(2)Fe alloy to 1.41 wt%of Ce-added Zr_(2)(Fe_(0.5)Ni_(0.5))alloy.

关键词： Zr_(2)Fe alloy Ce Pressure-composition isotherm Hydrogen absorption Nitrogen absorption Rare earths

Strain sensor on a chip for quantifying the magnitudes of tensile stress on cells

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Microsystems & Nanoengineering 2024年第3期10卷 305-315页

作者： Yuyin Zhang Yue Wang Hongze yin Jiahao Wang Na liu Songyi zhong Long Li Quan Zhang Tao Yue School of Mechatronics Engineering and Automation Shanghai UniversityShanghaiChina School of Future Technology Shanghai UniversityShanghaiChina Key Laboratory of Advanced Manufacturing Technology of Zhejiang Province School of Mechanical EngineeringZhejiang UniversityHangzhouChina Shanghai Key Laboratory of Intelligent Manufacturing and Robotics Shanghai UniversityShanghaiChina Shanghai Institute of Intelligent Science and Technology Tongji UniversityShanghaiChina

During cardiac development,mechanotransduction from the in vivo microenvironment modulates cardiomyocyte growth in terms of the number,area,and arrangement ***,the response of cells to different degrees of mechanical stimuli is ***-on-a-chip,as a platform for investigating mechanical stress stimuli in cellular mimicry of the in vivo microenvironment,is limited by the lack of ability to accurately quantify externally induced ***,previous technology lacks the integration of external stimuli and feedback sensors in microfluidic platforms to obtain and apply precise amounts of external ***,we designed a cell stretching platform with an in-situ *** in-situ liquid metal sensors can accurately measure the mechanical stimulation caused by the deformation of the vacuum cavity exerted on *** platform was applied to human cardiomyocytes(AC16)under cyclic strain(5%,10%,15%,20 and 25%),and we found that cyclic strain promoted cell growth induced the arrangement of cells on the membrane to gradually unify,and stabilized the cells at 15%amplitude,which was even more effective after 3 days of *** platform’s precise control and measurement of mechanical forces can be used to establish more accurate in vitro microenvironmental models for disease modeling and therapeutic research.

关键词： stress deformation arrangement

Predictability of the upper ocean heat content in a Community Earth System Model ensemble prediction system

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Acta Oceanologica Sinica 2024年第1期43卷 1-10页

作者： Ting liu Wenxiu zhong State Key Laboratory of Satellite Ocean Environment Dynamics Second Institute of OceanographyMinistry of Natural ResourcesHangzhou 310012China Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Zhuhai 519082China School of Atmospheric Sciences Sun Yat-Sen UniversityZhuhai 519082China

Upper ocean heat content(OHC)has been widely recognized as a crucial precursor to high-impact climate variability,especially for that being indispensable to the long-term memory of the *** the predictability of OHC using state-of-the-art climate models is invaluable for improving and advancing climate *** developed retrospective forecast experiments,based on a Community Earth System Model ensemble prediction system,offer a great opportunity to comprehensively explore OHC *** results indicate that the skill of actual OHC predictions varies across different oceans and diminishes as the lead time of prediction *** spatial distribution of the actual prediction skill closely resembles the corresponding persistence skill,indicating that the persistence of OHC serves as the primary predictive signal for its *** decline in actual prediction skill is more pronounced in the Indian and Atlantic oceans than in the Pacific Ocean,particularly within tropical ***,notable seasonal variations in the actual prediction skills across different oceans align well with the phase-locking features of OHC *** potential predictability of OHC generally surpasses the actual prediction skill at all lead times,highlighting significant room for improvement in current OHC predictions,especially for the North Indian Ocean and the Atlantic *** such improvements necessitates a collaborative effort to enhance the quality of ocean observations,develop effective data assimilation methods,and reduce model bias.

关键词： ocean heat content prediction skill retrospective forecast experiment

Superior comprehensive properties of LaFe_(11.8)Si_(1.2)/Ce_(60)Co_(40) magnetocaloric composites

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Journal of Rare Earths 2024年第6期42卷 1073-1086,I0003页

作者： Xichun zhong Yuanxin Li Yucai Wu Jiaohong Huang Cuilan liu Jian liu zhongwu liu Minglong zhong Zhenchen zhong R.V.Ramanujan School of Materials Science and Engineering South China University of TechnologyGuangzhou510640China Baotou Research Institute of Rare Earths Baotou014030China Center for Advanced Solidification Technology School of Materials Science and EngineeringShanghai UniversityShanghai200444China Jiangxi KeyLaboratory for Rare Earth Magnetic Materials and Devices&Institute for Rare Earth Magnetic Materials and Devices(IREMMD) Jiangxi University of Science and TechnologyGanzhou341000China School of Materials Science and Engineering Nanyang Technological University639798Singapore Singapore-HUJ Alliance for Research and Enterprise(SHARE) The Smart Grippers for Soft Robotics(SGSR)ProgrammeCampus for Research Excellence and Technological Enterprise(CREATE)138602Singapor

LaFe_(11.8)Si_(1.2)/10 wt%Ce_(60)Co_(40) composites were prepared by spark plasma sintering and subsequent diffusion annealing.A novel core-shell structure is observed with the LaFe11.8Si1.2 particles as the core and the(La,Ce)_(2)(Fe,Co,Si)_(17)(2:17)phase as the *** diffusion annealing time(t_(a))increases,this core-shell structure is replaced by the formation of the(La,Ce)_(1)(Fe,Co,Si)_(13) *** at 1323 K for 12 h results in samples with(-ΔSM)^(max) of 9.30 J/(kg·K)(Δμ0H=2 T),good mechanical properties((σbc)^(max)=402 MPa,ε=4.21%)and thermal conductivity of 8.7 W/(m·K).Thus,bulk composites with excellent comprehensive properties for magnetic refrigeration are obtained in this work.

关键词： LaFe_(11.8)Si_(1.2)/Ce_(60)Co_(40)composites Spark plasma sintering Diffusion annealing Microstructure evolution Magnetocaloric effect Rareearths

Mg-doped,carbon-coated,and prelithiated SiO_(x) as anode materials with improved initial Coulombic efficiency for lithium-ion batteries

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Carbon Energy 2024年第3期6卷 204-214页

作者： Bin liu Jie liu Cheng zhong Wenbin Hu Key Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education) School of Materials Science and EngineeringTianjin UniversityTianjinChina Tianjin Key Laboratory of Composite and Functional Materials School of Materials Science and EngineeringTianjin UniversityTianjinChina Joint School of National University of Singapore and Tianjin University TianjinChina International Campus of Tianjin University Binhai New CityFuzhouChina

Silicon suboxide(SiO_(x),x≈1)is promising in serving as an anode material for lithium-ion batteries with high capacity,but it has a low initial Coulombic efficiency(ICE)due to the irreversible formation of lithium silicates during the first *** this work,we modify SiO_(x) by solid-phase Mg doping reaction using low-cost Mg powder as a reducing *** show that Mg reduces SiO_(2) in SiO_(x) to Si and forms MgSiO_(3) or Mg_(2)SiO_(4).The MgSiO_(3) or Mg_(2)SiO_(4) are mainly distributed on the surface of SiO_(x),which suppresses the irreversible lithium-ion loss and enhances the ICE of SiO_(x).However,the formation of MgSiO_(3) or Mg_(2)SiO_(4) also sacrifices the capacity of SiO_(x).Therefore,by controlling the reaction process between Mg and SiO_(x),we can tune the phase composition,proportion,and morphology of the Mg-doped SiO_(x) and manipulate the *** obtain samples with a capacity of 1226 mAh g^(–1) and an ICE of 84.12%,which show significant improvement over carbon-coated SiO_(x) without Mg *** the synergistical modification of both Mg doping and prelithiation,the capacity of SiO_(x) is further increased to 1477 mAh g^(–1) with a minimal compromise in the ICE(83.77%).

关键词： initial Coulombic efficiency lithium-ion batteries magnesium doping prelithiation silicon suboxide

Review of chiplet-based design: system architecture and interconnection

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Science China(Information Sciences) 2024年第10期67卷 5-24页

作者： Yafei liu Xiangyu LI Shouyi yin School of Integrated Circuits Tsinghua University Laboratory of Integrated Circuits and Intelligence Systems Research Institute of Tsinghua University in Shenzhen

Chiplet-based design, which breaks a system into multiple smaller dice(or “chiplets”) and reassembles them into a new system chip through advanced packaging, has received extensive attention in the post Moore's law era due to its advantages in terms of cost, performance, and agility. However, significant challenges arise in this implementation approach, including the mapping of functional components onto chiplets, co-optimization of package and architecture, handling the increased latency of communication across functions in different dies, the uncertainty problems of fragment communication subsystems, such as maintaining deadlock-free when independently designed chiplets are combined. Despite various design approaches that attempt to address these challenges, surveying these approaches one-after-another is not the most helpful way to offer a comparative viewpoint. Accordingly, in this paper, we present a more comprehensive and systematic strategy to survey the various approaches. First, we divide them into chiplet-based system architecture design and interconnection design, and further classify them based on different architectures and building blocks of interconnection. Then, we analyze and cross-compare each classification separately, and in addition, we present a topical discussion on the evolution of memory architectures, design automation, and other relevant topics in chiplet-based designs. Finally, some discussions on important topics are presented,emphasizing future needs and challenges in this rapidly evolving field.

关键词： chiplet-based design package architecture interconnection silicon interposer

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Modelling analysis embodies drastic transition among global potential natural vegetations in face of changing climate

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Forest Ecosystems 2024年第2期11卷 184-192页

作者： Zhengchao Ren Lei liu Fang yin Xiaoni liu School of Earth Science and Resources Chang’an UniversityXi’an710054China Research Center of Ecological Construction and Environmental Conservation in Gansu Province Gansu Agricultural UniversityLanzhou730070China State Key Laboratory of Tibetan Plateau Earth System Environment and Resources(TPESER)Institute of Tibetan Plateau ResearchChinese Academy of SciencesBeijing100101China School of Land Engineering Chang’an UniversityXi’an710054China College of Pratacultural Science Gansu Agricultural UniversityLanzhou730070China

Potential natural vegetation(PNV)is a valuable reference for ecosystem renovation and has garnered increasing attention ***,there is limited knowledge on the spatio-temporal distributions,transitional processes,and underlying mechanisms of global natural vegetation,particularly in the case of ongoing climate *** this study,we visualize the spatio-temporal pattern and inter-transition procedure of global PNV,analyse the shifting distances and directions of global PNV under the influence of climatic disturbance,and explore the mechanisms of global PNV in response to temperature and precipitation *** achieve this,we utilize meteorological data,mainly temperature and precipitation,from six phases:the Last Inter-Glacial(LIG),the Last Glacial Maximum(LGM),the Mid Holocene(MH),the Present Day(PD),2030(20212040)and 2090(2081–2100),and employ a widely-accepted comprehensive and sequential classification sy–stem(CSCS)for global PNV *** find that the spatial patterns of five PNV groups(forest,shrubland,savanna,grassland and tundra)generally align with their respective ecotopes,although their distributions have shifted due to fluctuating temperature and ***,we observe an unexpected transition between tundra and savanna despite their geographical *** shifts in distance and direction of five PNV groups are mainly driven by temperature and precipitation,although there is heterogeneity among these shifts for each ***,the heterogeneity observed among different global PNV groups suggests that they may possess varying capacities to adjust to and withstand the impacts of changing *** spatio-temporal distributions,mutual transitions and shift tendencies of global PNV and its underlying mechanism in face of changing climate,as revealed in this study,can significantly contribute to the development of strategies for mitigating warming and promoting re-vegetation in degraded regions worldwide.

关键词： Potential natural vegetation Global warming Vegetation classification Predicted model CSCS