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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

Development and Characterization of Novel FAP-Targeted Theranostic Pairs: A Bench-to-Bedside Study

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Research 2024年第3期2023卷 473-485页

作者： Wei Huang Yizhen Pang Qiufang Liu Chenyi Liang Shuxian An Qianyun Wu You Zhang Gang Huang Haojun Chen Jianjun Liu Weijun Wei Department of nuclear Medicine Institute of Clinical Nuclear MedicineRenj HospitalSchool of Medicine Shanghai Jiao Tong UniversityShanghai 200127China Department of nuclear Medicine and Minnan PET center Xiamen Cancer CenterXiamen Key Laboratory of Radiation OncologyThe First Affiliated Hospital of Xiamen UniversitySchool of MedicineXiamen UniversityXiamen 361003China Department of nuclear Medicine Fudan University Shanghai Cancer CenterFudan UniversityShanghai 200032China

Fibroblast activation protein (FAP) is among the most popular targets in nuclear medicine imaging and cancer theranostics. Several small-molecule moieties (FAPI-04, FAPI-46, etc.) are used for developing FAP-targeted theranostic agents. Nonetheless, the circulation time of FAP inhibitors is relatively short, resulting in rapid clearance via kidneys, low tumor uptake, and associated unsatisfactory treatment efficacy. To address the existing drawbacks, we engineered 3 peptides named FD1, FD2, and FD3 with different circulation times through solid-phase peptide synthesis. All the 3 reported peptides bind to human and murine FAP with single-digit nanomolar affinity measured by surface plasmon resonance. The diagnostic and therapeutic potential of the agents labeled with 68Ga and 177Lu was assessed in several tumor models exhibiting different levels of FAP expression. While radiolabeled FD1 was rapidly excreted from kidneys, radiolabeled FD2/FD3 have significantly prolonged circulation, increased tumor uptake, and decreased kidney accumulation. Our findings indicated that [68Ga]Ga-DOTA-FD1 positron emission tomography (PET) effectively detected FAP dynamics, whereas [177Lu]Lu-DOTA-FD2 and [177Lu]Lu-DOTA-FD3 exhibited remarkable therapeutic efficacy in FAP-overexpressing tumor models, including pancreatic cancer cell models characterized by abundant stroma. Moreover, a pilot translational investigation demonstrated that [68Ga]Ga-DOTA-FD1 had the capability to identify both primary and metastatic tumors with precision and distinction. In summary, we developed [68Ga]Ga-DOTA-FD1 for same-day PET imaging of FAP dynamics and [177Lu]Lu-DOTA-FD2 and [177Lu]Lu-DOTA-FD3 for effective radioligand therapy of FAP-overexpressing tumors.

关键词： DOTA expressing labeled

Response characteristics of PWR primary circuit under SBLOCAs considering steam bypass discharging

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nuclear Science and Techniques 2024年第6期35卷 189-201页

作者： Shuai Yang Xiang-Bin Li Yu-Sheng Liu Jia-Ning Xu De-Chen Zhang School of nuclear Science and Engineering North China Electric Power UniversityBeijing 102206China Beijing Key Laboratory of Passive Safety Technology for nuclear Energy Beijing 102206China nuclear and Radiation Safety center MEPBeijing 100084China

Small-break superposed station blackout(SBO)accidents are the basic design accidents of nuclear power *** the condition of a small break in the cold leg,SBO further increases the severity of the accident,and the steam bypass discharg-ing system(GCT)in the second circuit can play an important role in guaranteeing core *** explore the influence of the GCT on the thermal-hydraulic characteristics of the primary circuit,RELAP5 software was used to establish a numerical model based on a typical pressurized water reactor nuclear power *** different small breaks in the cold-leg super-posed SBO were selected,and the impact of the GCT operation on the transient response characteristics of the primary and secondary circuit systems was *** results show that the GCT plays an indispensable role in core heat removal during an accident;otherwise,core safety cannot be *** GCT was used in conjunction with the primary safety injection system during the placement *** the break diameter was greater than a certain critical value,the core cooling rate could not be guaranteed to be less than 100 K/h;however,the core remained in a safe state.

关键词： Steam bypass discharging Pressurized water reactor SBLOCA Numerical simulation

Structure and 2p decay mechanism of^(18)Mg

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nuclear Science and Techniques 2024年第6期35卷 145-154页

作者： Long Zhou De-Qing Fang Si-Min Wang Hui Hua Key Laboratory of nuclear Physics and Ion-beam Application(MOE) Institute of Modern PhysicsFudan UniversityShanghai 200433China Shanghai Research center for Theoretical nuclear Physics NSFC and Fudan UniversityShanghai 200438China School of Physics and State Key Laboratory of nuclear Physics and Technology Peking UniversityBeijing 100871China

The recently discovered,extremely proton-rich nuclide 18 Mg exhibits ground-state decay via two sequential two-proton(2p)emissions through the intermediate nucleus,*** study investigates the structure and the initial 2p decay mechanism of^(18)Mgby examining the density and correlations of the valence protons using a three-body Gamow coupled-channel *** results show that the ground state of^(18)Mgis significantly influenced by the continuum,resulting in a significant s-wave ***,based on the current framework,this does not lead to a significant deviation in mirror symmetry in either the structure or spectroscopy of the 18Mg-18C ***,the time evolution analysis of the^(18)Mgground state suggests a simultaneous 2p emission during the first step of *** observed nucleon-nucleon correlations align with those of the light-mass 2p emitters,indicating a consistent decay behavior within this nuclear region.

关键词： Structure of^(18)Mg Two-proton decay Proton-proton correlation

Lattice Boltzmann simulation study of anode degradation in solid oxide fuel cells during the initial aging process

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International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 405-411页

作者： Shixue Liu Zhijing Liu Shuxing Zhang Hao Wu Hydrogen Energy Industrial Technology Innovation center China Nuclear Power Technology Research InstituteShenzhen 518031China Shenzhen Engineering Research center for Hydrogen Safety Shenzhen 518031China

For present solid oxide fuel cells(SOFCs),rapid performance degradation is observed in the initial aging process,and the dis-cussion of the degradation mechanism necessitates quantitative ***,focused ion beam-scanning electron microscopy was em-ployed to characterize and reconstruct the ceramic microstructures of SOFC *** lattice Boltzmann method(LBM)simulation of multiphysical and electrochemical processes in the reconstructed models was *** samples collected from industrial-size cells were characterized,including a reduced reference cell and a cell with an initial aging *** parameters of the reconstructed microstructures revealed a significant decrease in the active triple-phase boundary and Ni connectivity in the aged cell compared with the reference *** LBM simulation revealed that activity degradation is dominant compared with microstructural degradation during the initial aging process,and the electrochemical reactions spread to the support layer in the aged *** microstructural and activity de-gradations are attributed to Ni migration and coarsening.

关键词： solid oxide fuel cell anode degradation focused ion beam-scanning electron microscopy lattice Boltzmann method

CP violation of baryon decays with Nπrescatterings

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Chinese Physics C 2024年第10期48卷 1-10页

作者： Jian-Peng Wang Fu-Sheng Yu MOE Frontiers Science center for Rare Isotopes and School of Nuclear Science and TechnologyLanzhou UniversityLanzhou 730000China

There is a long-standing puzzle that the CP violation(CPV)in the baryon systems has never been wellestablished in experiments,while the CPV of mesons have been observed by *** this paper,we propose thatthe CpV of baryon decays can be generated with the rescatterings of a nucleon and a pion into some final states,i.e Nπ→Nπor Nππ.Benelited by the fruitful data of Nπscatterings,we can model-independently analyse the strongphases of b-baryon decays using the partial wave amplitudes of Nπ*** the most difficult problemof non-perturbative dynamics,it makes a great advantage to predict the CpV of baryon decays with a relatively *** understanding of the decay *** study the processes of∧_(b)^(0)→(pπ^(+)π^(-))h^(-)and(pπ^(0))h^(-)with h=πor *** is found that the global CPV of the above processes in the invariant mass regions of Nπscatterings are at theorder of several *** importantly,the local CPV in some regions of the Dalitz plots can reach the order of 10%,or be even *** the predicted results and the experimental data samples,we strong suggest tomeasure the CPV of∧_(b)^(0)→(pπ^(+)π^(-))K^(-),which has a large possibility to achieve the first observation of CPV in thebaryon system.

关键词： CP violation baryon decays Nπscatterings

Electromagnetic fields in ultra-peripheral relativistic heavy-ion collisions

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nuclear Science and Techniques 2024年第2期35卷 103-109页

作者： Jie Zhao Jin-Hui Chen Xu-Guang Huang Yu-Gang Ma Key Laboratory of nuclear Physics and Ion-beam Application(MOE) Institute of Modern PhysicsFudan UniversityShanghai 200433China Shanghai Research center for Theoretical nuclear Physics NSFC and Fudan UniversityShanghai 200438China Physics Department and center for Particle Physics and Field Theory Fudan UniversityShanghai 200438China

Ultra-peripheral heavy-ion collisions(UPCs)offer unique opportunities to study processes under strong electromagnetic *** these collisions,highly charged fast-moving ions carry strong electromagnetic fields that can be effectively treated as photon *** exchange of photons can induce photonuclear and two-photon interactions and excite *** excitation of the ions results in Coulomb dissociation with the emission of photons,neutrons,and other ***,the electromagnetic fields generated by the ions can be sufficiently strong to enforce mutual interactions between the two colliding ***,the two colliding ions experience an electromagnetic force that pushes them in opposite directions,causing a back-to-back correlation in the emitted *** a Monte Carlo simulation,we qualitatively demonstrate that the above electromagnetic effect is large enough to be observed in UPCs,which would provide a clear means to study strong electromagnetic fields and their effects.

关键词： Electromagnetic fields Neutrons Ultra-peripheral relativistic heavy-ion collisions(UPC)

Evaluation of neutron cross sections of^(48)Ti based on the Unified-Monte-Carlo-B method

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Chinese Physics C 2024年第7期48卷 118-130页

作者：夏候琼续瑞瑞刘萍 Roberto Capote 田源陶曦吴小飞张玥葛智刚舒能川冯松 China nuclear Data center China Institute of Atomic EnergyBeijing 102413China NAPC–nuclear Data Section P.O.Box 100Vienna International CentreA-1400ViennaAustria School of nuclear Science and Technology University of South ChinaHengyang 421001China

A cross section evaluation of neutron induced reactions on^(48)Ti is undertaken using the Unified Monte Carlo-B(UMC-B)*** evaluation concentrates on estimating the covariance and the use of the UMC-B allows avoiding the deficiencies of linear regression brought by the traditional least squares *** main neutron and charged particle emission reactions from n+^(48)Ti in the fast neutron energy region below 20 MeV are studied in this *** posterior probability density function(PDF)of each neutron cross section is obtained in a UMC-B Bayesian approach by convoluting the model PDFs sampled based on model parameters and the likelihood functions for the experimental *** model parameters including level density,pair corrections,optical model and Kalbach matrix element parameter are stochastically sampled with the assumption of normal distributions to estimate the model *** Cholesky factorization approach is applied to consider potential parameter ***,the posterior covariance matrices are generated using the UMC-B generated *** new evaluated results are compared with the CENDL-3.2,ENDF/B-VIII.0,JEFF-3.3,TENDL-2021 and JENDL-5 evaluations and differences are discussed.

关键词： covariance Unified Monte Carlo B(UMC-B) ^(48)Ti neutron cross sections Cholesky factor-ization approach