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Chiral multiple-resonance thermally activated delayed fluorescence materials based on chiral spiro-axis skeleton for efficient circularly polarized electroluminescence

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Science China Chemistry 2024年第7期67卷 2257-2264页

作者： shi-quan song Xiao Han Zhong-Zhong Huo Ching-Fai Yip Xian-Fang Hong Meng-Ning Ding You-Xuan Zheng State Key Laboratory of Coordination Chemistry Jiangsu Key Laboratory of Advanced Organic MaterialsSchool of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China Key Laboratory of Mesoscopic Chemistry of Ministry of Education School of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China

Chiral luminescence materials have potential applications in the field of three-dimensional displays due to their circularly polarized luminescence(CPL)***,the further development of circularly polarized organic light-emitting diodes(CP-OLEDs)needs to meet the requirements of high efficiency,high color purity,low cost,and high dissymmetry factor(gPLor gEL),chiral multiple resonance thermally activated delayed fluorescence(MR-TADF)materials are considered as candidates in these ***,based on a pair of chiral spirofluorene precursors,two pairs of high-performance chiral MR-TADF emitters((R/S)-p-Spiro-DtBuCzB and(R/S)-m-Spiro-DtBuCzB)are developed,which exhibit strong emissions peaking at 491 and 502 nm in toluene with full-width at half-maximum values of 25 and 33 nm,*** addition,small singlet–triplet energy gaps of 0.15 and 0.10 eV with high absolute photoluminescence efficiencies of 95.0%and 96.7%are observed for p-Spiro-DtBuCzB and m-Spiro-DtBuCzB molecules,*** based on p-Spiro-DtBuCzB and m-Spiro-DtBuCzB display high maximum external quantum efficiencies of 29.6%and 33.8%,*** importantly,CP-OLEDs present symmetric circularly polarized electroluminescence spectra with|gEL|factors of 3.36×10^(-4)and 7.66×10^(-4)for devices based on(R/S)-p-Spiro-DtBuCzB and(R/S)-m-Spiro-DtBuCzB enantiomers,respectively.

关键词： chiral spiro-axis skeleton-based material multiple resonance thermally activated delayed fluorescence circularly polarized electroluminescence dissymmetry factor external quantum efficiency

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Efficient circularly polarized photoluminescence and electroluminescence of chiral spiro-skeleton-based thermally activated delayed fluorescence molecules

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Science China Chemistry 2022年第7期65卷 1347-1355页

作者： Yi-Pin Zhang shi-quan song Meng-Xi Mao Cheng-Hui Li You-Xuan Zheng Jing-Lin Zuo State Key Laboratory of Coordination Chemistry Jiangsu Key Laboratory of Advanced Organic MaterialsSchool of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China MaAnShan High-Tech Research Institute of Nanjing University Maanshan 238200China

Chiral thermally activated delayed fluorescence(TADF) molecules showing circularly polarized luminescence(CPL) have great potential in 3D displays. However, the relationships among CPL property, device performance and molecule structure are still not clear. In this article, we develop a strategy to promote dissymmetry factors without sacrifice in device performance and study the impact of molecule structures towards CPL property. Three novel TADF enantiomers are synthesized and studied.(R/S)-SCN with diminutive cyano group as an acceptor shows dissymmetry factor |gPL| ≈ 1.4×10^(-3) and noticeable organic light-emitting diode(OLED) performances with a maximum external quantum efficiency(EQEmax) of 23.0%. For(R/S)-SPHCN, the prolonged electron withdrawing group benzonitrile enhances |gPL| up to 3.6×10^(-3) with decreased device EQEmaxof 15.4%. By further replacing benzonitrile with(trifluoromethyl)pyridine, the enantiomers of(R/S)-SCFPY show similar |gPL| factors of 3.5×10^(-3) and device EQE_(max)up to 23.3%, which represents the highest efficiency among sprio-type TADF materials based OLEDs. Furthermore, the OLEDs also show obvious circularly polarized electroluminescence with gELfactors of-1.4/1.8×10^(-3),-3.6/3.6×10^(-3) and-3.7/3.6×10^(-3), respectively. These results indecate by delicate functional group engineering, high g factor can be achieved while maintaining decent device performances. Besides,(R/S)-SCFPY represents an impressive TADF emitter, which shows promoted g factor and recorded high device EQE_(max)among similar molecules.

关键词： chiral spiro-skeleton thermally activated delayed fluorescence circularly polarized photoluminescence circularly polarized electroluminescence dissymmetry factor

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Process metallurgy and data-driven prediction and feedback of blast furnace heat indicators

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International Journal of Minerals,Metallurgy and Materials 2024年第6期31卷 1228-1240页

作者： quan shi Jue Tang Mansheng Chu School of Metallurgy Northeastern UniversityShenyang 110819China Institute for Frontier Technologies of Low-carbon Steelmaking Northeastern UniversityShenyang 110819China Engineering Research Center of Frontier Technologies for Low-carbon Steelmaking(Ministry of Education) Shenyang 110819China

The prediction and control of furnace heat indicators are of great importance for improving the heat levels and conditions of the complex and difficult-to-operate hour-class delay blast furnace(BF)*** this work,a prediction and feedback model of furnace heat indicators based on the fusion of data-driven and BF ironmaking processes was *** data on raw and fuel materials,process op-eration,smelting state,and slag and iron discharge during the whole BF process comprised 171 variables with 9223 groups of data and were comprehensively analyzed.A novel method for the delay analysis of furnace heat indicators was *** extracted delay variables were found to play an important role in *** method that combined the genetic algorithm and stacking efficiently im-proved performance compared with the traditional machine learning algorithm in improving the hit ratio of the furnace heat prediction *** hit ratio for predicting the temperature of hot metal in the error range of±10℃ was 92.4%,and that for the chemical heat of hot metal in the error range of±0.1wt%was 93.3%.On the basis of the furnace heat prediction model and expert experience,a feedback model of furnace heat operation was established to obtain quantitative operation suggestions for stabilizing BF heat *** sugges-tions were highly accepted by BF ***,the comprehensive and dynamic model proposed in this work was successfully ap-plied in a practical BF *** improved the BF temperature level remarkably,increasing the furnace temperature stability rate from 54.9%to 84.9%.This improvement achieved considerable economic benefits.

关键词： blast furnace furnace heat genetic algorithm stacking prediction and feedback

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Regulating Melting Process in the Energy Storage of Solid-Liquid PCM based on Double MRT-LBM Simulation

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Journal of Thermal Science 2024年第5期33卷 1688-1700页

作者： CHEN Weiqi song Zhichao quan Dongliang HE Yurong School of Energy Science&Engineering Harbin Institute of TechnologyHarbin 150001China Heilongjiang Key Laboratory of New Energy Storage Materials and Processes Harbin 150001China Zhengzhou Research Institute of Harbin Institute of Technology Zhengzhou 450000China Innovation&Research Institute of Hiwing Technology Academy Beijing 100074China

The melting process of solid-liquid phase change materials(PCM)has a significant impact on their energy storage *** more effectively apply solid-liquid PCM for energy storage,it is crucial to study the regulation of melting process of solid-liquid PCM,which is numerically investigated based on double multiple relaxation time lattice Boltzmann method(MRT-LBM)in this *** this work we pay more attention to the effects of different Stefan numbers(Ste)and Rayleigh numbers(Ra)on the melting *** results indicate that the PCM melting is greatly influenced by the Ste number and Ra number,which can be divided into the heat conduction dominant stage and the convection dominant stage,according to the onset time of convection Fo_(C).In order to describe the contribution of the heat conduction dominant stage to the whole melting process quantitatively,we firstly propose the ratio of the heat conduction dominant stage R_(pc),which can be defined as the ratio of Fo_(C)to the complete melting time Fo_(M).R_(pc)gradually decreases as the Ra number increases,and when the Ste number rises:R_(pc)=90.0%when Ste=1.0 and Ra=1×10^(5),R_(pc)=39.6%when Ste=0.1 and Ra=1×10^(5),and R_(pc)=14.0%when Ste=1.0 and Ra=1×10~7.A regime map about the effects of different Ste numbers and Ra numbers on R_(pc)has been further *** discovered findings would be helpful in regulating melting process in the energy storage of solid-liquid PCM.

关键词： latent thermal energy storage solid-liquid phase change double MRT-LBM dominant melting mechanism

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A semi-analytical pressure and rate transient analysis model for inner boundary and propped fractures exhibiting dynamic behavior under long-term production conditions

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Petroleum Science 2024年第4期21卷 2520-2535页

作者： Lin-song Cheng Chong Cao quan-Yu Pan Pin Jia Ren-Yi Cao Zhi-Kai Wang Jun-Jie shi College of Petroleum Engineering China University of Petroleum (Beijing) Sinopec Petroleum Exploration and Production Research Institute CNOOC Research Institute State Key Laboratory of Water Resources Protection and Utilization in Coal Mining

The loss of hydrocarbon production caused by the dynamic behavior of the inner boundary and propped fractures under long-term production conditions has been widely reported in recent studies. However,the quantitative relationships for the variations of the inner boundary and propped fractures have not been determined and incorporated in the semi-analytical models for the pressure and rate transient analysis. This work focuses on describing the variations of the inner boundary and propped fractures and capturing the typical characteristics from the pressure transient curves.A generalized semi-analytical model was developed to characterize the dynamic behavior of the inner boundary and propped fractures under long-term production conditions. The pressure-dependent length shrinkage coefficients, which quantify the length changes of the inner zone and propped fractures, are modified and incorporated into this multi-zone semi-analytical model. With simultaneous numerical iterations and numerical inversions in Laplace and real-time space, the transient solutions to pressure and rate behavior are determined in just a few seconds. The dynamic behavior of the inner boundary and propped fractures on transient pressure curves is divided into five periods: fracture bilinear flow(FR1),dynamic PFs flow(FR2), inner-area linear flow(FR3), dynamic inner boundary flow(FR4), and outer-area dominated linear flow(FR5). The early hump during FR2 period and a positive upward shift during FR4period are captured on the log-log pressure transient curves, reflecting the dynamic behavior of the inner boundary and propped fractures during the long-term production *** transient pressure behavior will exhibit greater positive upward trend and the flow rate will be lower with the shrinkage of the inner boundary. The pressure derivative curve will be upward earlier as the inner boundary shrinks more rapidly. The lower permeability caused by the closure of un-propped fractures in the inner zo

关键词： Semi-analytical model Length shrinkage Dynamic behavior Boundary changes Transient behavior

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Thermal-force control ability under variation of electromagnetic stick structure parameters in RPECT

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Journal of Iron and Steel Research International 2024年第1期31卷 224-236页

作者： Ting-song Yang Wen-quan Sun Feng-shan Du An-rui He quan Yang National Engineering Research Center of Advanced Rolling and Intelligent Manufacturing University of Science and Technology BeijingBeijing100083China Institute of Engineering and Technology University of Science and Technology BeijingBeijing100083China College of Mechanical Engineering Yanshan UniversityQinhuangdao066004HebeiChina

Thermal-force driving of roll profile electromagnetic control technology(RPECT),which can be used to adjust the roll profile,can be affected by the sequential temperature rise between the electromagnetic stick(ES)and electromagnetic control *** to the limited space of ES and induction coil,the cross-sectional area of induction coil can be inevitably affected by changing the size of the ES induction zone,which can further change the energy input under the same electromagnetic parameters,the temperature rising effect and the bulging *** investigate this phenomenon,the effects of the radius of the induction zone on the thermal-force contribution ratio,the heating ability of ES and the temperature distribution were analyzed through an electromagnetic-thermal-structural finite element *** ensure that the results are applicable to RPECT,the thermal energy conversion ability and thermal-force roll crown control ability under different lengths of the induction zone were *** was found that whether the current density regulation mode or the current frequency regulation mode is adopted,the cases with 20 or 25 mm radius of the induction zone have the great thermal energy conversion ability and the good thermal-force roll crown control *** reasonable adjustment of the length of the induction zone can reduce the radius required for the maximum energy efficiency *** with the results of the simulation analysis,the optimization of ES based on the control ability maximization requirement is achieved,which provides the base for the design and configuration of ES in RPECT.

关键词： Roll profile electromagnetic control technology Electromagnetic stick Electromagnetic control roll Induction area Thermal-force driving

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Linear Viscoelasticity of ABA-type Vitrimer Based on Dioxaborolane Metathesis

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Chinese Journal of Polymer Science 2024年第10期42卷 1495-1504,I0010页

作者： shi-Long Wu Huan-Huan Yang quan Chen State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of ScienceChangchun130022China University of Science and Technology of China Hefei230026China

In this study,we synthesized a series of ABA-type vitrimers by crosslinking the short A moieties of precursors with a bifunctional crosslinker and evaporating the small molecular *** vitrimer samples thus prepared exhibit linear viscoelasticity dependent on the length of A moiety as well as the content of the *** the average number of A monomers per end moiety m=1.1,the crosslinker can only extend the chain but not crosslink the *** m becomes 2.8 or higher,introducing a crosslinker first leads to the gelation,whereas excess in crosslinker molecules leads opening of the crosslinking sites and accordingly reentry into the sol ***,a further increase in the length of the A moieties increases the relaxation time much weaker than the exponential increase seen for the physically crosslinked ABAtype *** attribute this difference to the distinct relaxation mechanisms:the relaxation of the vitrimer samples is based on relatively independent exchange reactions,which contrasts with the ABA-type ionomers that relax through the collective hopping of connected ionic groups from one ion aggregate to another.

关键词： Polymer rheology Linear viscoelasticity ABA-type vitrimer Relaxation mechanism Kinetics and thermodynamics

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Influence of Heat-setting Temperature on the Microporous Structure and Properties of PP/HDPE Bilayer Microporous Membranes

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Chinese Journal of Polymer Science 2024年第8期42卷 1243-1252页

作者： Jie Xie Yong-shi Wu Jia-Yi Xie Rui-Jie Xu Cai-Hong Lei Sai-Nan song Guang-quan Li An-Ping Huang School of Materials and Energy Guangdong University of TechnologyGuangzhou 510006China Lanzhou Petrochemical Research Center Petrochemical Research InsititutePetroChinaLanzhou 730060China School of Chemistry and Civil Engineering Shaoguan CollegeShaoguan 512005China

Due to the mechanical stability of PP layer,the PP/HDPE double-layer microporous mem brane could be prepared at a higher heat-setting temperatu re than that of PE monolayer *** this work,the effects of heat-setting temperature on the pore structure and properties of PP/HDPE dou ble-layer membrane were *** the increase of heat-setting temperature from 120℃to 130℃,the length of connecting bridge crystal and crystallinity in the PE layer increase due to the melting of thin lamellae and the stability of connecting bridge structure during *** corresponding air permeability,po rosity,wetta bility of liquid electrolyte and mechanical property of the heat-set microporous membrane increase,exhibiting better electrochemical ***,when the heat-setting temperature is further increased to 140℃,higher than the melting point of PE resin,some pores are closed since the lamellae and connecting bridges melt and shrink during heat-setting,resulting in a decrease of air permeability and *** contrast,there is negligible change in the PP layer within the above heat-setting temperature *** study successfully builds the relationship between the stable pore structure and property of microporous membrane during heat-setting,which is helpful to guide the production of high-pe rformance PP/PE/PP lithium batteries separator.

关键词： PP/HDPE bilayer microporous membranes Heat-setting temperature SAXS

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Study on a probabilistic algorithm for the forming and 3D characterization of special-shaped surfaces under profile grinding

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Advances in Manufacturing 2024年第2期12卷 288-299页

作者： Zhao-Qing Zhang Kai-Ning shi Yao-Yao shi Yi-Hui song Zhe He Ya-song Pu School of Mechanical Engineering Northwestern Polytechnical UniversityXi’an710072People’s Republic of China Key Laboratory of High Performance Manufacturing for Aero Engine(Northwestern Polytechnical University) Ministry of Industry and Information TechnologyXi’an710072People’s Republic of China Engineering Research Center of Advanced Manufacturing Technology for Aero Engine(Northwestern Polytechnical University) Ministry of EducationXi’an710072People’s Republic of China

Profile grinding is the most crucial method for the ultra-precision machining of special-shaped ***,profile grinding produces a unique machining profile,and many random factors in the machining process lead to complex surface *** this study,the structural and probabilistic characteristics of the profile grinding of a special-shaped surface were analyzed,and a probabilistic algorithm for the forming and 3D characterization of special-shaped surfaces under profile grinding was *** forming process of a GH738 blade tenon tooth surface was considered as an example to demonstrate the *** comparison results showed that the simulation results had similar surface characteristics to the measurement results,and the relative error range of the 3D roughness parameter was 0.21%–19.76%,indicating an accurate prediction and characterization of the complex special-shaped surface under the action of multiple factors.

关键词： Special-shaped surface Profile grinding Surface morphology 3D characterization

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Neutron irradiation influence on high-power thyristor device under fusion environment

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Nuclear Science and Techniques 2024年第4期35卷 65-81页

作者： Wei Tong Hua Li Meng Xu Zhi-quan song Bo Chen School of Electrical Engineering and Automation Hefei University of TechnologyHefei 230009China Institute of Plasma Physics Hefei Institutes of Physical ScienceChinese Academy of SciencesHefei 230031China University of Science and Technology of China Hefei 230026China

Because of their economy and applicability,high-power thyristor devices are widely used in the power supply systems for large fusion *** high-dose neutrons produced by deuterium–tritium(D–T)fusion reactions are irradiated on a thyristor device for a long time,the electrical characteristics of the device change,which may eventually cause irreversible *** this study,with the thyristor switch of the commutation circuit in the quench protection system(QPS)of a fusion device as the study object,the relationship between the internal physical structure and external electrical parameters of the irradiated thyristor is ***,a series of targeted thyristor physical simulations and neutron irradiation experiments are conducted to verify the accuracy of the theoretical *** addition,the effect of irradiated thyristor electrical characteristic changes on the entire QPS is studied by accurate simulation,providing valuable guidelines for the maintenance and renovation of the QPS.

关键词： Fusion device Neutron irradiation effects Thyristor Quench protection

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