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Journal of Iron and Steel Research International 2022年第1期29卷 103-114页

作者： Zi-jian Wei cheng Ji Tian-ci chen Miao-yong Zhu chen-hui wu Key Laboratory for Ecological Metallurgy of Multimetallic Ores(Ministry of Education) Shenyang 110819LiaoningChina School of Metallurgy Northeastern UniversityShenyang 110819LiaoningChina Pangang Group Research Institute Co. Ltd.Panzhihua 617000SichuanChina

The effects of the deformation parameters in the heavy reduction(HR)process on recrystallization kinetics and microstructure evolution were *** on the experimental results,metadynamic recrystallization(MDRX)kinetic and austenite grain size models were established for a continuously cast slab during ***,the evolution of the quenched microstructure after MDRX was observed using electron backscatter *** relative frequency of very low-angle grain boundaries decreased from 58.8% to 52.1%,and the relative frequency of high-angle grain boundaries increased from 28.5% to 38.9%.Analyses revealed that the recovery was the main softening *** decrease in the total grain boundary length indicated that subgrain growth occurred with increasing inter-pass *** main texture evolved from a {001}texture to a{112}texture,and the texture strength remained unchanged.

关键词： Microalloyed steel Heavy reduction Metadynamic recrystallization Microstructure evolution Kinetic model

Chain Dynamics Heterogeneity in Plasticized Poly(vinyl butyral)(PVB) as Elucidated by Solid-State NMR

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Chinese Journal of Polymer Science 2024年第1期42卷 113-124,I0010页

作者： Jing Lv Xu chen Zi-Shuo wu Ya-hui Li Wei chen National Synchrotron Radiation Laboratory Anhui Provincial Engineering Laboratory of Advanced Functional Polymer FilmCAS Key Laboratory of Soft Matter ChemistryUniversity of Scienceand Technology of ChinaHefei 230026China

The chain dynamics heterogeneity of the poly(vinyl butyral)(PVB) plasticized by triethylene glycol bis(2-ethylhexa noate)(TEG-EH) was investigated by various solid-state NMR *** plasticized PVB shows two domains in distinct molecular dynamics differences,namely,rigid and soft domains,where the latter is the plasticizer-rich *** time domain low field NMR was first used to investigate the dynamics heterogeneity of the plasticized PVB,and the results show the decreasing activated energy of components in the soft domain of plasticized PVB(E_a=20.2 kJ/mol) as compared with that of the pristine one(E_a=24.3 kJ/mol).Detailed dynamics heterogeneity was obtained by high-field NMR with site-specific *** quadrupole-echo ~2H-NMR was adopted to elucidate the dynamics heterogeneity of the vinyl alcohol(VA) units,where only the hydroxyl group of VA is *** ~1H-^(13)C WISE NMR spectra show that there is not much difference in the mobility of the VB unit in PVB with and without plasticizer,whereas the glass transition temperature differed by approximately 53℃.This is further supported by Torchia's T_1 relaxation *** origin of such an unusual phenomenon is attributed to the critical role of the remaining VA(~22%) in the soft domain,where the VA units locally aggregate through hydrogen ***,the existence of a mobility gradient in the VB unit has been ***,the mobility difference for VB with different stereo-geometry(meso or racemic conformation) is observed for the first *** indicates the importance of modulating the ratio of meso over racemic VB for controlling the macroscopic perfo rmance of PVB.

关键词： Poly(vinyl butyral) Dynamics heterogeneity Plasticizer Solid state NMR

Elucidating and manipulating pressure-induced water intrusion–extrusion in tunable hydrophobic Co/Zn bimetallic ZIFs:Roles of pore size and hydrogen bond

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Nano Research 2024年第1期17卷 344-353页

作者： Diyi Fang Chuanlei Liu Yu chen Qilong Peng Kongguo wu Yuxiang chen Hao Jiang Yuan wu Benxian Shen Qiumin wu Di wu hui Sun International Joint Research Center of Green Energy Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China Alexandra Navrotsky Institute for Experimental Thermodynamics The Gene and Linda Voiland School of Chemical Engineering and BioengineeringMaterials Science and Engineeringand Department of ChemistryWashington State UniversityWashington 99163USA

Porous heterogeneous lyophobic systems(HLSs)find potential applications in energy restoring,dissipating,and ***,the development of controllable HLSs still lacks rational structure design of nanoporous materials matching the molecular sizes of adopted *** that,thoroughly understanding the underlying transportation mechanism in the confined nano channels is greatly *** this work,a series of Co/Zn bimetallic zeolitic imidazolate frameworks(ZIFs)with tunable structures were synthesized via regulating the Co to Zn ratios and employed to investigate the intrusion–extrusion of liquid water in confined *** characterizations confirm the heterometallic coordination in the Co/Zn-doped *** intrusion–extrusion experiments unlock the relationship between the intrusion pressure and the nanopore size and realize the evolution of the HLSs between molecular spring and *** addition,cycling tests indicate the reversible structure change of Co/Zn ZIFs encountering pressure-induced water *** combination with molecular dynamics simulations,we present that the water multimers intrude into nanopores of ZIFs in chain-like forms along with dissociation of hydrogen bonds(HBs).Water molecules in the pre-intrusion state exhibit reduced HBs in response to the increase of pressure and linear structure with 1.6–3.0 HBs on *** transition to the post-intrusion situation,the associative configuration of water tends to exhibit the tetrahedral ***,we highlight the roles of pore size and HB in synergically dominating the pressure-induced intrusion–extrusion of liquid water in hydrophobic ***,the present work can also guide the development of functional guest–host systems based on porous architectures.

关键词： heterometallic zeolitic imidazolate frameworks nanopore intrusion hydrogen bonds

Reactive molecular dynamics insight into the thermal decomposition mechanism of 2,6-Bis(picrylamino)-3,5-dinitropyridine

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Defence Technology（防务技术） 2024年第3期33卷 134-146页

作者： Jianbo Fu hui Ren Xinzhou wu Yongjin chen Mi Zhang Yazhi cheng State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much *** this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)*** detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly *** the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration *** the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is *** final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the *** clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by *** low temperatures(2500 K-2750 K),many clusters are *** high temperatures(2750 K-3250 K),the clusters aggregate to form larger *** 3500 K,the large clusters decompose and become *** the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of ***'s initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/*** work contributes to a theoretical understanding of PYX's entire thermal decomposition process.

关键词： PYX Thermal decomposition ReaxFF-lg MD simulations Excellent thermostable explosives

Investigation on cavitating turbulent flow for the twisted NACA66 hydrofoil using a PANS model with helicity modification

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Journal of Hydrodynamics 2024年第2期36卷 219-231页

作者： chen Geng Zhao-hui Qian Ke-xin Zheng Wei-xiang Ye Xian-wu Luo State Key Laboratory of Hydroscience cand Engineering Deparment of Energy and Power EngineeringTsinghua UniversityBeijing 100084China Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084China

In the present paper,the unsteady cavitating turbulent flow over the twisted NACA66 hydrofoil is investigated based on an modified shear stress transfer k-ωpartially averaged Navier-Stokes(MSST PANS)model,i.e.,new MSST PANS(NMSST PANS)model,where the production term of kinetic energy in the turbulence model is modified with *** with the experimental data,cavitation evolution and its characteristic frequency are satisfactorily predicted by the proposed NMSST PANS *** is revealed that the interaction among the main flow,the reentrant jets,and sheet cavitation causes the formation of the primary shedding cavity near the mid-span and the secondary shedding cavity at each side of the twisted hydrofoil,and further induces the remarkable pressure gradient around shedding *** with the development of the primary and the secondary shedding cavities,the great pressure gradient associated with large cavity volume variation promotes the vortical flow generation and the spatial deformation of vortex structure during cavitation evolution,and results in the primary and the secondary U-type ***,dynamic mode decomposition(DMD)analysis is utilized to confirm the interaction among the main flow,the main reentrant jet and two side reentrant jets,and *** results indicate that the proposed NMSST PANS model is suitable to simulate the complicated cavitating turbulent flow for various engineering applications.

关键词： Cavitating turbulent flow partially averaged Navier-Stokes(PANS)model hydrofoil numerical simulation

Neuroimmune interactions and their roles in neurodegenerative diseases

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Fundamental Research 2024年第2期4卷 251-261页

作者： Bai-Rong chen Ting wu Ting-hui chen Yun Wang Neuroscience Research Institute and Department of Neurobiology School of Basic Medical SciencesKey Laboratory for NeuroscienceMinistry of Education/National Health Commission and State Key Laboratory of Natural and Biomimetic DrugsPeking UniversityBeijing 100083China PKU-IDG/McGovern Institute for Brain Research Peking UniversityBeijing 100871China

The nervous system possesses bidirectional,sophisticated and delicate communications with the immune *** neuroimmune interactions play a vitally important role in the initiation and development of many disorders,especially neurodegenerative *** scientific advancements have made tremendous progress in this field during the last few years,neuroimmune communications are still far from being *** organizing recent research,in this review,we discuss the local and intersystem neuroimmune interactions and their roles in Alzheimer’s disease,Parkinson’s disease and amyotrophic lateral *** these will help us gain a better understanding of the process of interplay inside the body and how the organism maintains *** will also facilitate a view of the diseases from a holistic,pluralistic and interconnected perspective,thus providing a basis of developing novel and effective methods to diagnose,intervene and treat diseases.

关键词： Nervous system Immune system Neuroimmune interactions Alzheimer’s disease Parkinson’s disease Amyotrophic lateral sclerosis

Multifunctional carbon materials from rugose rose for energy storage and water purification

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Frontiers of Chemical Science and Engineering 2024年第9期18卷 1-13页

作者： Peng-hui Li hui Zhou Wen-Juan wu Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources Nanjing Forestry UniversityNanjing 210037China College of Light Industry and Food Engineering Nanjing Forestry UniversityNanjing 210037China College of Chemical Engineering East China University of Science and TechnologyShanghai 200237China State Key Laboratory of Chemical Engineering Shanghai 200237China

With the advancement of social process,the resource problem is becoming more prominent,biomass materials come into being,and it is becoming more and more important to explore and prepare efficient and multifunctional biomass materials to alleviate the problems of energy storage and water *** this paper,nitrogen-doped hierarchical porous carbon materials(NRRC)were produced by one-step carbonization of withered rose as raw material and melamine as nitrogen source with KOH-activated *** resulting nitrogen-doped porous carbon material had the most abundant pores and the best microspherical graded pore structure,with a specific surface area of up to 1393 m2·g^(-1),a pore volume of 0.68 cm3·g^(-1),and a nitrogen-doped content of 5.52%.Electrochemical tests showed that the maximum specific capacitance of NRRC in the three-electrode system was 346.4 F·g^(-1)(0.5 A·g^(-1)),which was combined with favorable capacitance retention performance and cycling *** NRRC//NRRC symmetric supercapacitors were further assembled,and the maximum energy density of a single device was 23.88 Wh·kg^(-1),which still maintains excellent capacitance retention and cyclic charging/discharging *** example,the capacitance retention rate was always close to 96.27%with almost negligible capacitance loss after 10000 consecutive charge/discharge cycles(current density:10 A·g^(-1)).Regardless of the three-electrode or two-electrode system,the super capacitive performance of NRRC porous carbon materials was comparable to the electrochemical performance of many reported biomass porous carbon materials,which showed better energy storage advantages and practical application *** addition,NRRC porous carbon materials had excellent water purification *** dye adsorption test confirmed that NRRC had a high adsorption capacity(491.47 mg·g^(-1))for methylene *** undoubtedly also showed a potential and promising avenue for high value-added utilization

关键词： rose carbon adsorption electrode material electrochemical performance

Potential risks of organic contaminated soil after persulfate remediation:Harmful gaseous sulfur release

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Journal of Environmental Sciences 2024年第1期135卷 1-9页

作者： Yuyang Long Zixiao wu Xiaodong Ding Jiansong chen Dongsheng Shen Jiali Shentu Cai hui Zhejiang Provincial Key Laboratory of Solid Waste Treatment and Recycling Zhejiang Engineering Research Center of Non-ferrous Metal Waste RecyclingInstrumental Analysis CenterSchool of Environmental Science and EngineeringZhejiang Gongshang UniversityHangzhou 310012China Shangyu Yingtai Fine Chemical Co. Ltd.Shaoxing 312000China Hangzhou Ecological Environment Monitoring Center Hangzhou 310007China

Persulfate is considered a convenient and efficient remediation agent for organic contaminated ***,the potential risk of sulfur into the soil remediation by persulfate remains *** this study,glass bottles with different persulfate dosages and groundwater tables were set up to simulate persulfate remediation of organic pollutants(aniline).The results found sulfate to be the main end-product(83.0%–99.5%)of persulfate remediation after10 ***,H_(2)S accounted for 93.4%–99.4%of sulfur reduction end-products,suggesting that H_(2)S was the final fate of sulfur.H_(2)S was released rapidly after one to three days at a maximum concentration of 33.0 ppm,which is sufficient to make a person *** to the fitted curve results,H_(2)S concentration decreased to a safe concentration(0.15 ppm)after 20–85 ***,the maximum concentration of methanethiol reached 0.6 *** results indicated that secondary pollution from persulfate remediation could release harmful gases over a long ***,persulfate should be used more carefully as a remediation agent for soil contamination.

关键词： Gaseous sulfur release H_2S Long period potential risk Organic contaminated soil remediation Persulfate

Principal components of nuclear mass models

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Science China(Physics,Mechanics & Astronomy) 2024年第7期67卷 65-71页

作者： Xin-hui wu Pengwei Zhao Department of Physics Fuzhou UniversityFuzhou 350108China State Key Laboratory of Nuclear Physics and Technology School of PhysicsPeking UniversityBeijing 100871China

Principal component analysis(PCA)is employed to extract the principal components(PCs)present in nuclear mass models for the first *** effects from different nuclear mass models are reintegrated and reorganized in the extracted *** PCs are recombined to build new mass models,which achieve better accuracy than the original theoretical mass *** comparison indicates that using the PCA approach,the effects contained in different mass models can be collaborated to improve nuclear mass predictions.

关键词： nuclear mass principal component analysis nuclear models statistical methods

Energy Economic Dispatch for Photovoltaic-Storage via Distributed Event-Triggered Surplus Algorithm

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Energy Engineering 2024年第9期121卷 2621-2637页

作者： Kaicheng Liu chen Liang Naiyue wu Xiaoyang Dong hui Yu China Electric Power Research Institute Beijing100192China Electric Power Research Institute of State Grid Gansu Electric Power Company Lanzhou730000China State Key Laboratory of Power Grid Safety Beijing100084China

This paper presents a novel approach to economic dispatch in smart grids equipped with diverse energy *** method integrates features including photovoltaic(PV)systems,energy storage coupling,varied energy roles,and energy supply and demand *** systemmodel is developed by considering energy devices as versatile units capable of fulfilling various functionalities and playing multiple roles *** strike a balance between optimality and feasibility,renewable energy resources are modeled with considerations for forecasting errors,Gaussian distribution,and penalty ***,this study introduces a distributed event-triggered surplus algorithm designed to address the economic dispatch problem by minimizing production *** in surplus theory and finite time projection,the algorithm effectively rectifies network imbalances caused by directed graphs and addresses local inequality *** algorithm greatly reduces the communication burden through event triggering ***,both theoretical proofs and numerical simulations verify the convergence and event-triggered nature of the algorithm.

关键词： Fully distributed algorithm economic dispatch directed graph renewable energy resource