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CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

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Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen Liu Yaping Tang Malin Liu institute of nuclear and New Energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized *** the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical ***,particle calculation time step will directly affect the efficiency of coupling *** this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction *** this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation *** the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time *** multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction *** is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size *** at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed

Halogen-bond induced unusual polyhalogen anions formation in hydrogen-bonded frameworks to secure iodine sequestration

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Nano Research 2024年第7期17卷 6766-6772页

作者： Yi Xie Pengling Huang Qiang Gao Shiyu Wang Jianchen Wang Gang Ye Collaborative Innovation Center of Advanced nuclear Energy Technology Institute of Nuclear and New Energy TechnologyTsinghua UniversityBeijing 100084China

Safe confinement of fission iodine isotopes for long-term radioactive waste disposal remains a formidable challenge,as conventional sorbents provide inherently weak iodine-host *** report here a novel halogen bond(X-bond)directed strategy to sequester volatile iodine in hydrogen-bonded(H-bonded)frameworks with unprecedented ***-assisted Hbonded frameworks bearing open halide sites are developed,showing distinctive iodine encapsulation behaviors without compromising the *** crystallographic evidence indicates the formation of X-bonds,i.e.,I–I···Cl^(−) and I–I···Br^(−),within the confined pore *** polyhalogen anions,i.e.,[I_(2)Cl_(2)]^(2−)and[I_(2)Br_(2)]^(2−),sustained in H-bonded frameworks are identified for the first *** X-bond reinforced host-guest interaction affords robust iodine trapping without leaking out even at elevated temperatures up to 180℃.By integrating the halogen-bond chemistry with H-bonded frameworks,this study offers fresh concepts for developing effective host reservoirs to secure fission iodine isotopes from spent fuel reprocessing off-gases.

关键词： halogen-bond chemistry anion coordination chemistry hydrogen-bonded organic frameworks polyhalogen anions iodine confinement

Perception of fundamental science to boost lithium metal anodes toward practical application

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Green Energy & Environment 2024年第3期9卷 454-472页

作者： Jinkun Wang Li Wang Hong Xu Li Sheng Xiangming He institute of nuclear and New Energy Technology Tsinghua UniversityBeijing100084China

As a key material for lithium metal batteries(LMBs),lithium metal is one of the most promising anode materials to break the bottleneck of battery energy density and a commonly used active material for reference *** lithium anodes are regarded as the holy grail of lithium batteries,decades of exploration have not led to the successful commercialization of LMBs,due mainly to the challenges related to the inherent properties of lithium *** pave the way for further investigation,herein,a comprehensive review focusing on the fundamental science of lithium are ***,the natures of lithium atoms and their isotopes,lithium clusters and lithium crystals are revisited,especially their structural and energetic ***,the electrochemical properties of lithium metal are *** important concepts and scientific questions,including the electronic structure of lithium,influence of high pressure and low temperature on the properties of lithium,factors influencing lithium deposition,generation of lithium dendrites,and electrode potential of lithium in different electrolytes,are explained and analyzed in *** to improve the performance of lithium anodes and thoughtfulness about the electrode potential in lithium battery research are proposed.

关键词： Lithium Cluster Crystal Physicochemical property Fundamental science

Measurement of yields and angular distributions ofγ-quanta from the interaction of 14.1 MeV neutrons with oxygen,phosphorus,and sulfur

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Chinese Physics C 2024年第3期48卷 79-92页

作者： D.N.Grozdanov N.A.Fedorov S.B.Dabylova Yu.N.Kopatch I.N.Ruskov V.R.Skoy T.Yu.Tretyakova C.Hramco P.I.Kharlamov G.V.Pampushik P.G.Filonchik A.V.Andreev Joint institute for nuclear Research(JINR) DubnaRussia institute for nuclear Research and nuclear Energy Bulgarian Academy of SciencesSofiaBulgaria Faculty of Physics Lomonosov Moscow State UniversityMoscowRussia L.N.Gumilyov Eurasian National University AstanaKazakhstan Skobeltsyn institute of nuclear Physics Moscow State UniversityMoscowRussia institute of Chemistry of Moldova ChisinauRepublic of Moldova Moscow institute of Physics and Technology MoscowRussia

A study of the inelastic scattering of neutrons with an energy of 14.1 MeV on the nuclei of oxygen,phosphorus,and sulfur was performed at the TANGRA facility at JINR(Dubna).The experiment aimed to refine existing data and obtain new data on the yields and angular distributions ofγ-quanta emitted by the studied nuclei due to neutron-induced nuclear reactions using the tagged neutron *** types of detector systems were used to registerγ-***γ-ray yields were measured using a high-purity germanium(HPGe)*** angular distributions ofγ-rays were obtained using a system of 18 scintillation detectors based on bismuth germanite Bi_(4)Ge_(3)O_(12)(BGO)located around the *** performed experiments measured the yields of two transitions for the reaction of tagged neutrons with 16O,nine transitions for the reaction with ^(31)P,and nine transitions for the reaction with ^(32)S for the first *** angular anisotropy of theγ-radiation accompanying the inelastic scattering of neutrons with an energy of 14.1 MeV on ^(31)P nuclei was also measured for the first time.

关键词： tagged neutron method yields of gamma-quanta high-resolution gamma-spectrometry neutron-nuclear reactions neutron scattering

Shell-model representations of the microscopic version of the Bohr-Mottelson collective model

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Communications in Theoretical Physics 2024年第8期76卷 79-90页

作者： H G Ganev Joint institute for nuclear Research DubnaRussia institute of Mechanics Bulgarian Academy of SciencesSofiaBulgaria

The structure of the irreducible collective spaces of the group Sp(12,R),which many-particle nuclear states are classified according to the chain Sp(12,R)⊃U(6)⊃SO(6)⊃SU_(pn)(3)⊗SO(2)⊃SO(3)of the proton-neutron symplectic model(PNSM),is considered in *** chain of the PNSM was recently shown to correspond to a microscopic shell-model version of the Bohr-Mottelson collective *** construction of the relevant shell-model representations of the Sp(12,R)group along this chain is considered for three nuclei with varying collective properties and from different mass *** is shown that the SU_(pn)(3)basis states of the Sp(12,R)representations belonging to the SO(6)irreps with seniorityυ≥υ0,withυ0 denoting the maximal seniority SO(6)irrep contained in the Sp(12,R)bandhead,are always Pauli allowed,but organized in a different way into different SO(6)*** is in contrast to the case of filling the levels of the standard three-dimensional harmonic oscillator and using the plethysm *** the SU_(pn)(3)multiplets withinυ<υ0 are not all Pauli forbidden,it is safe to discard *** results obtained in the present work are important for the practical application of the microscopic version of the Bohr-Mottelson collective model.

关键词： microscopic shell-model version of the Bohr-Mottelson model proton-neutron symplectic model Sp(12,R)dynamical algebra shell-model representations

Effect of Al_(2)O_(3)on the Mechanical Properties of(B_(4)C+Al_(2)O_(3))/Al Neutron Absorbing Materials

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Acta Metallurgica Sinica(English Letters) 2024年第8期37卷 1411-1420页

作者： J.X.Cai B.M.Shi N.Li Y.Liu Z.G.Zhang Y.N.Zan Q.Z.Wang B.L.Xiao Z.Y.Ma Shi‑Changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China Key Laboratory of nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China nuclear Equipment Division Beijing Institute of Nuclear EngineeringChina Nuclear Power Engineering Co.Ltd.Beijing 100840China Department of Materials Science School of Mechanical EngineeringShenyang UniversityShenyang 110044China

B_(4)C/Al composites are widely utilized as neutron absorbing materials for the storage and transportation of spent nuclear *** order to improve the high-temperature mechanical properties of B_(4)C/Al composites,in-situ nano-Al_(2)O_(3)was introduced utilizing oxide on Al powder *** this study,the Al_(2)O_(3)content was adjusted by utilizing spheroid Al powder with varying diameters,thereby investigating the impact of Al_(2)O_(3)content on the tensile properties of(B_(4)C+Al_(2)O_(3))/Al *** was found that the pinning effect of Al_(2)O_(3)on the grain boundaries could hinder the recovery of dislocations and lead to dislocation accumulation at high *** the result,with the increase in Al_(2)O_(3)content and the decrease in grain size,the high-temperature strength of the composites increased *** finest Al powder used in this investigation had a diameter of 1.4μm,whereas the resultant composite exhibited a maximum strength of 251 MPa at room temperature and 133 MPa at 350℃,surpassing that of traditional B_(4)C/Al composites.

关键词： Al matrix composites Neutron absorbing materials (B_(4)C+Al_(2)O_(3))/Al composites High-temperature strength

Comparison of thermal shock resistance capabilities of the rotary swaged pure tungsten,potassium-doped tungsten,and W-La2O3 alloys

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Tungsten 2024年第4期6卷 759-766页

作者： Tao Yang Hao Wang Fan Feng Xiang Liu Xue-Yu Gong You-Yun Lian Jian-Bao Wang School of nuclear Science and Technology University of South China Southwestern institute of Physics

Tungsten-based materials are one of the most important candidates for the plasma facing materials（PFMs） of future fusion reactors,and it is necessary to study the properties of tungsten-based materials under the service conditions of fusion devices to ensure the long-term steady-state operation of future fusion *** this paper,different tungsten-based materials made by the same rotary swaging process are selected to simulate the transient thermal loads on the PFMs of a fusion reactor using an electron beam,and thermal load experiments are carried out by changing the power density of a loading pulse and the pulse *** is found that different tungsten-based materials made by the same process have large differences in thermal shock resistance,and the doped tungsten materials（W-K and W-La2O3） are significantly better than the pure tungsten materials with the increase in thermal shock power density and the number of cycles,especially the W-K materials,which have excellent performance.

关键词： Electron beam Rotary swaging Thermal shock Tungsten materials

Benchmark experiment on slab^(238)U with D-T neutrons for validation of evaluated nuclear data

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nuclear Science and techniques 2024年第2期35卷 145-159页

作者： Yan-Yan Ding Yang-Bo Nie Yue Zhang Zhi-Jie Hu Qi Zhao Huan-Yu Zhang Kuo-Zhi Xu Shi-Yu Zhang Xin-Yi Pan Chang-Lin Lan Jie Ren Xi-Chao Ruan Key Laboratory of nuclear Data China Institute of Atomic EnergyBeijing 102413China School of nuclear Science and Technology Lanzhou UniversityLanzhou 730000China institute of Fluid Physics China Academy of Engineering PhysicsMianyang 62100China

A benchmark experiment on^(238)U slab samples was conducted using a deuterium-tritium neutron source at the China institute of Atomic *** leakage neutron spectra within energy levels of 0.8-16 MeV at 60°and 120°were measured using the time-of-flight *** samples were prepared as rectangular slabs with a 30 cm square base and thicknesses of 3,6,and 9 *** leakage neutron spectra were also calculated using the MCNP-4C program based on the latest evaluated files of^(238)U evaluated neutron data from CENDL-3.2,ENDF/B-Ⅷ.0,JENDL-5.0,and *** on the comparison,the deficiencies and improvements in^(238)U evaluated nuclear data were *** results showed the following.(1)The calculated results for CENDL-3.2 significantly overestimated the measurements in the energy interval of elastic scattering at 60°and 120°.(2)The calculated results of CENDL-3.2 overestimated the measurements in the energy interval of inelastic scattering at 120°.(3)The calculated results for CENDL-3.2 significantly overestimated the measurements in the 3-8.5 MeV energy interval at 60°and 120°.(4)The calculated results with JENDL-5.0 were generally consistent with the measurement results.

关键词： Leakage neutron spectra Uranium D-T neutron source Evaluated nuclear data

First-principles study on the diffusion behavior of Cs and I in Cr coating

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nuclear Science and techniques 2024年第6期35卷 177-188页

作者： Shu-Ying Lin Xiao-Jing Li Lin-Bing Jiang Xi-Jun Wu Hui-Qin Yin Yu Ma Wen-Guan Liu Sino-French institute of nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China School of nuclear Science and Technology University of South ChinaHengyang 421001China

Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical *** coating has emerged as an important candidate for mitigating this chemical *** this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding *** interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,*** results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of Generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and ***,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.

关键词： First-principles calculation Fuel cladding chemical interaction Cr coating Fission product Diffusion Grain boundary