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Nuclear Science and Techniques 2024年第3期35卷 198-207页

作者： Yang Su Ze-Yu li li-le liu Guo-Xiang Dong Xiao-Bao Wang Yong-Jing Chen China Nuclear Data Center China Institute of Atomic EnergyBeijing 102413China School of Science Huzhou UniversityHuzhou 313000China

Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were *** volume-like and surface-like pairing forces,as well as a combination of these two forces,were used for the Hartree–Fock–Bogoliubov *** in the least-energy fission path,fission barrier,pairing energy,total kinetic energy,scission line,and mass distribution of the fission fragments based on the different forms of the pairing forces were analyzed and *** fission dynamics were studied based on the timedependent generator coordinate method plus the Gaussian overlap *** results demonstrated a sensitivity of the mass and charge distributions of the fission fragments on the form of the pairing *** on the investigation of the neutron-induced fission of^(239)Pu,among the volume,mixed,and surface pairing forces,the mixed pairing force presented a good reproduction of the experimental data.

关键词： Nuclear fission Density functional theory Pairing force Potential energy surfaces Fission fragment distribution

Performance Design of High-Temperature Chloride Salts as Thermal Energy Storage Material

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Journal of Thermal Science 2024年第2期33卷 479-490页

作者： ZHAO le WANG Jingyao CUI liu li Baorang DU Xiaoze WU Hongwei Key Laboratory of Power Station Energy Transfer Conversion and System(North China Electric Power University) Ministry of EducationBeijing102206China School of Energy and Power Engineering Lanzhou University of TechnologyLanzhou730050China School of Physics Engineering and Computer ScienceUniversity of HertfordshireHatfieldAL109ABUK

The chloride salts have great potential used as high-temperature thermal energy storage(TES) medium for the concentrated solar power *** this study,liCl,KCl and CaCl_(2) were selected as energy storage materials in order to further broaden the working temperature of ternary chloride salt and improve its energy storage *** new high-temperature energy storage ternary chloride composed of liCl,KCl,and CaCl_(2) was developed based on the phase diagram generated by *** components of liCl-KCl-CaCl_(2) with the mass ratio of 37.85%-53.38%-8.77%,30.90%-13.82%-55.28% and 1.78%-18.61%-79.61% were developed,of which the corresponding melting temperature(T_(m)) 340.93,433.57 and 626.85℃,respectively,was obtained *** that T_(m) of the third group of salts was too high,only the first two groups of salts were *** test showed that the actual melting point was only 0.46% and 1.64% different from the melting point predicted by *** thermal properties of the two ternary chloride salts were also *** solid and liquid-specific heat of ternary salts was determined by DSC using sapphire as the standard *** vapor pressure and decomposition temperature of ternary chloride salts were *** results showed that the vapor pressure of salt 1 was almost constant below 650℃ by ***,the TG results showed that the upper working temperature of salt 1 was 650℃ under the air *** addition,the ternary chloride salts after short-term cycling still exhibited excellent thermal properties,which revealed that these good thermal properties make them have broad application prospects in high-temperature thermal energy storage systems.

关键词： chloride salts thermal energy storages thermal properties thermal stability

Understanding the isoscaling relationship in the fissioning system with evaluated data

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Chinese Physics C 2021年第8期45卷 76-82页

作者： Yong-Jing Chen Yang-Yang liu li-le liu Fang-Yuan Wang Ying-Xun Zhang China Nuclear Data Center China Institute of Atomic EnergyBeijing 102413China Department of Nuclear Physics China Institute of Atomic EnergyBeijing 102413China Guangxi Key Laboratory of Nuclear Physics and Technology Guangxi Normal UniversityGuilin 541004China

The isoscaling parameters aevai in the fissioning systems,i.e.,those extracted from the Evaluated Nuclear Data library(ENDF/B-VIII.O)and the Joint Evaluated Fission and Fusion File(JEFF-3.3),show an obvious difference from simple statistic model prediction where only the symmetry energy plays the dominant *** explain the aeVai as a function of the charge number of the fission fragment,a statistic scission point model is *** analysis shows that the effects of the shell correction,nuclear shape deformation,and intrinsic temperature of fission fragments are indispensable as well as the symmetry ***,an alternative method for extracting the intrinsic temperatures of fission fragments is proposed based on the isoscaling relationship in fission *** intrinsic temperatures of the light fragments are higher than those of the heavy fragments.

关键词： isoscaling analysis temperature of fission fragment shell correction nuclear shape deformation

Energy spreading,equipartition,and chaos in lattices with non-central forces

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Chinese Physics B 2022年第2期31卷 119-128页

作者： Yong-Jing Chen Yang Su Guoxiang Dong li-le liu Zhigang GeXiaobao Wang China Nuclear Data Center China Institute of Atomic EnergyBeijing 102413China School of Science Huzhou UniversityHuzhou 313000China

We numerically study a one-dimensional,nonlinear lattice model which in the linear limit is relevant to the study of bending(flexural)*** contrast with the classic one-dimensional mass-spring system,the linear dispersion relation of the considered model has different characteristics in the low frequency *** introducing disorder in the masses of the lattice particles,we investigate how different nonlinearities in the potential(cubic,quadratic,and their combination)lead to energy delocalization,equipartition,and chaotic *** excite the lattice using single site initial momentum excitations corresponding to a strongly localized linear mode and increase the initial energy of *** a certain energy threshold,when the cubic nonlinearity is present,the system is found to reach energy equipartition and total *** the other hand,when only the quartic nonlinearity is activated,the system remains localized and away from equipartition at least for the energies and evolution times considered ***,for large enough energies for all types of nonlinearities we observe *** chaotic behavior is combined with energy delocalization when cubic nonlinearities are present,while the appearance of only quadratic nonlinearity leads to energy *** results reveal a rich dynamical behavior and show differences with the relevant Fermi–Pasta–Ulam–Tsingou *** findings pave the way for the study of models relevant to bending(flexural)waves in the presence of nonlinearity and disorder,anticipating different energy transport behaviors.

关键词： Anderson localization energy spreading energy equipartition chaos

A new method to evaluate force constants from experimental spectral data

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Chinese Journal of Chemistry 1994年第5期12卷 403-413页

作者： li, le-Min liu, Yi WANG, Xiu-ZhenDepartment of Chemistry, Peking University, Beijing 100871, China Department of Chemistry Peking University Beijing 100871 China

An iterative procedure is proposed to facilitate the determination of molecular vi-brational force constants from the experimental fundamental frequencies. Proper restrictions are introduced to the force constants based on physical considerations for getting reasonable results. The experimental data of Coriolis coupling coefficients and isotopic frequency shifts are utilized to reduce the uncertainty of the calculated force constants when they are available. A series of various kinds of molecules have been calculated by this method and the results are satisfactory.

关键词： Determination of force constants iterative procedure vibrational spectra fundamental frequencies isotopic frequency shifts Coriolis coupling coefficients.

linearized waveform inversion for vertical transversely isotropic elastic media:Methodology and multi-parameter crosstalk analysis

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Petroleum Science 2024年第1期21卷 252-271页

作者： Ke Chen Lu liu li-Nan Xu Fei Hu Yuan Yang Jia-Hui Zuo le-le Zhang Yang Zhao National Key Laboratory of Petroleum Resources and Engineering Unconventional Petroleum Research InstituteChina University of Petroleum(Beijing)Beijing102249China Aramco Beijing Research Center Aramco AsiaBeijing100102China University of Lausanne LausanneCH-1015Switzerland Bureau of Geophysical Prospecting China National Petroleum CorporationZhuozhou 072750HebeiChina

Seismic migration and inversion are closely related techniques to portray subsurface images and identify hydrocarbon *** migration aims at obtaining structural images of subsurface geologic *** specifically,seismic migration estimates the reflectivity function(stacked average reflectivity or pre-stack angle-dependent reflectivity)from seismic reflection *** the other hand,seismic inversion quantitatively estimates the intrinsic rock properties of subsurface *** seismic inversion methods are applicable to detect hydrocarbon reservoirs that may exhibit lateral variations in the inverted *** there exist many differences,pre-stack seismic migration is similar with the first iteration of the general linearized seismic ***,seismic migration and inversion techniques assume an acoustic or isotropic elastic *** reservoirs such as shale and tight sand formation have notable anisotropic *** present a linearized waveform inversion(LWI)scheme for weakly anisotropic elastic media with vertical transversely isotropic(VTI)*** is based on two-way anisotropic elastic wave equation and simultaneously inverts for the localized perturbations(ΔVp_(0)/Vp_(0)/Vs_(0)/Vs_(0)/,Δ∈,Δδ)from the long-wavelength reference *** proposed VTI-elastic LWI is an iterative method that requires a forward and an adjoint operator acting on vectors in each *** derive the forward Born approximation operator by perturbation theory and adjoint operator via adjoint-state *** inversion has improved the quality of the images and reduces the multi-parameter crosstalk comparing with the adjoint-based *** have observed that the multi-parameter crosstalk problem is more prominent in the inversion images for Thomsen anisotropy ***,the Thomsen parameter is the most difficult to *** also analyze the multi-parameter crosstalk using scattering radiation patte

关键词： Elastic Anisotropy least-squares imaging Waveform inversion Computational geophysics

A review of covalent organic frameworks for metal ion fluorescence sensing

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Chinese Chemical letters 2024年第8期35卷 74-83页

作者： eshuai Zhen Chunlin liu Qiuhui Deng Shaoqi Zhang Ningman Yuan le li Yu liu Hunan Key Laboratory of Typical Environment Pollution and Health Hazards School of Public HealthHengyang Medical SchoolUniversity of South ChinaHengyang 421001China State Key Laboratory of Chemo/Biosensing and Chemometrics School of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China

The concentration of metallic elements is closely associated with overall ***,the discharge of untreated industrial wastewater can lead to metal-containing pollutants entering the human body through the food chain,disrupting the organism’s homeostasis and posing a risk to human ***-valent organic framework materials(COFs)have emerged as a novel porous material for detecting or adsorbing metal ions due to their unique pore structure,topological structure and flexible *** paper summarizes the role,toxicity,and sources of metal ions related to human health,as well as the design,synthesis and performance of COFs fluorescent materials for detecting these *** inter-action mechanism of different fluorescent COFs and metal ions are ***,the remaining challenges and prospects of COFs fluorescence sensors are *** believe this review will be useful in directing the development of fluorescent COFs towards metal ions.

关键词： Covalent organic frameworks Metal ion Fluorescence Sensing Toxicity

Conventional and micro scale finite element modeling for metal cutting process:A review

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Chinese Journal of Aeronautics 2024年第2期37卷 199-232页

作者： le WANG Caixu YUE Xianli liu Ming li Yongshi XU Steven Y.liANG Key Laboratory of Advanced Manufacturing and Intelligent Technology Ministry of EducationHarbin University of Science and TechnologyHarbin 150080China George W.Woodruff School of Mechanical Engineering Georgia Institute of TechnologyAtlanta 30332USA

The metal cutting process is accompanied by complex stress field,strain field,temperature *** comprehensive effects of process parameters on chip morphology,cutting force,tool wear and residual stress are complex and *** element method(FEM)is considered as an effective method to predict process variables and reveal microscopic physical phenomena in the cutting ***,the finite element(FE)simulation is used to research the conventional and micro scale cutting process,and the differences in the establishment of process variable FE simulation models are distinguished,thereby improving the accuracy of FE *** reliability and effectiveness of FE simulation model largely depend on the accuracy of the simulation method,constitutive model,friction model,damage model in describing mesh element,the dynamic mechanical behavior of materials,the tool-chip-workpiece contact process and the chip formation *** this paper,the FE models of conventional and micro process variables are comprehensively and up-to-date reviewed for different materials and machining *** purpose is to establish a FE model that is more in line with the real cutting conditions,and to provide the possibility for optimizing the cutting process *** development direction of FE simulation of metal cutting process is discussed,which provides guidance for future cutting process modeling.

关键词： Conventional and micro scale Finite element simulation Metal cutting process Micro cutting Modeling

Tunable magneto-Seebeck effect in Co_(2)FeSi/MgO/Co_(2)FeSi heterostructure via optimized interfacial engineering

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Science China(Physics,Mechanics & Astronomy) 2024年第3期67卷 128-135页

作者： Jingyu li Xianbiao Shi Yurong Jin le Ma liuming Wei Chi Zhang Hang li Peng-Fei liu International Joint Research Laboratory of New Energy Materials and Devices of Henan Province School of Physics and ElectronicsHenan UniversityKaifeng 475004China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Spallation Neutron Source Science Center Dongguan 523803China Defence Industry Secrecy Examination and Certification Center Beijing 100089China School of Materials Science and Engineering Nanjing University of Science and TechnologyNanjing 210094China Department of Network Security Henan Police CollegeZhengzhou 450046China College of Electrical Engineering Henan University of TechnologyZhengzhou 450001China

Enhancing the tunneling magneto-Seebeck(TMS) ratio and uncovering its underlying mechanism are greatly demanded in spin *** magnitude and sign of the TMS effect depend on the type of atom and the stacking order of atoms at the ***,we demonstrate that TMS ratios can be effectively manipulated by altering heterogonous or homogeneous interface through decoration on the CoFeSi(001) surface inserted on the MgO insulating *** maximum TMS ratio of pure Co_(2)/O termination is 4565% at 800 ***,the TMS ratio of the FeSi/O termination has two peak values,of which the maximum could reach up to-3290% at 650 *** comparing two different atom arrangements at the interface,we reveal that the sign and symbol of the TMS ratio can be controlled by the temperature and different atomic configurations at the Co_(2)FeSi/MgO ***,the spin-Seebeck coefficient up to ~150 μV/K is also possible when we select suitable terminations and *** findings will provide useful insights into how to control the sign and symbol of the TMS ratio and accordingly stimulate the development field of magneto-thermoelectric power and spin caloritronic devices based on the magneto-Seebeck effect in Heusler-based metallic multilayers.

关键词： magneto-Seebeck effect interface spintronics electronic structure spin-Seebeck effect

Striking Stabilization Effect of Spinel Cobalt Oxide Oxygen Evolution Electrocatalysts in Neutral pH by Dual-Sites Iron Incorporation

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Energy & Environmental Materials 2024年第2期7卷 156-164页

作者： Shuairu Zhu Xue Wang Jiabo le Na An Jianming li Deyu liu Yongbo Kuang Key Laboratory of Advanced Fuel Cells and Electrolyzers Technology of Zhejiang Province Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Zhejiang Institute of Tianjin University Research Center of New Energy Research Institute of Petroleum Exploration & Development Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences

Developing stable and efficient nonprecious-metal-based oxygen evolution catalysts in the neutral electrolyte is a challenging but essential goal for various electrochemical ***,cobalt-based spinels have drawn a considerable amount of attention but most of them operate in alkali ***,the frequently studied Co-Fe spinel system never exhibits appreciable stability in nonbasic conditions,not to mention attract further investigation on its key structural motif and transition states for activity ***,we report exceptional stable Co-Fe spinel oxygen evolution catalysts（～30% Fe is optimal） in a neutral electrolyte,owing to its unique metal ion arrangements in the crystal *** introduced iron content enters both the octahedral and tetrahedral sites of the spinel as Fe2+and Fe3+（with Co ions having mixed distribution as well）.Combining density functional theory calculations,we find that the introduction of Fe to Co3O4lowers the covalency of metal-oxygen bonds and can help suppress the oxidation of Co2+/3+and O2-.It implies that the Co-Fe spinel will have minor surface reconstruction and less lattice oxygen loss during the oxygen evolution reaction process in comparison with Co3O4and hence show much better *** findings suggest that there is still much chance for the spinel structures,especially using reasonable sublattices engineering via multi metal doping to develop advanced oxygen evolution catalysts.

关键词： dual-sites iron electrocatalyst stability neutral electrolyte oxygen evolution reaction spinel oxides