High-temperature creep properties of sintered uranium dioxide pellets with two grain sizes （9.0 μm and 23.8μm） were studied. The results indicate that the creep rate becomes a little faster with the reduction of t...High-temperature creep properties of sintered uranium dioxide pellets with two grain sizes （9.0 μm and 23.8μm） were studied. The results indicate that the creep rate becomes a little faster with the reduction of the uranium dioxide grain size at the same temperature and the same load. At the same temperature, the logarithmic value of the steady creep rate vs stress has linear relation, and with increasing load, the steady creep rate of the sintered uranium dioxide pellet increases. Under the same load, the steady creep rate of the sintered uranium dioxide pellet increases with increasing temperature; and the creep rates of sintered uranium dioxide pellet with the grain size of 9.0 μm and 23.8 μm under 10 MPa are almost the same. The creep process is controlled both by Nabarro--Herring creep and Hamper-Dorn creep for uranium dioxide pellet with grain size of 9.0 μm, while Hamper---Dora creep is the dominantmechanism for uranium dioxide with grain size of 23.8 μm.展开更多
We report a study of the electronic structure and optical properties of uranium dioxide （U02） based on the ab-initio density-functional theory and using the generalized gradient approximation. To correctly describe ...We report a study of the electronic structure and optical properties of uranium dioxide （U02） based on the ab-initio density-functional theory and using the generalized gradient approximation. To correctly describe the strong correlation between 5 f electrons of a uranium atom, we employ the on-site Hubbard U correction term and optimize the correlation parameter of the bulk uranium dioxide. Then we give the structural and electronic properties of the ground state of uranium dioxide. Based on the accurate electronic structure, we calculate the complex dielectric function of UO2 and the related optieM properties, such as reflectivity, refractive index, extinction index, energy loss spectra, and absorption coefficient.展开更多
Using the experimental results given in literatures about the contact angle, θ and the work of adhesion, W, for nonreactive liquid metal / solid UO_2 systems, the validity and feasibility of the different existing mo...Using the experimental results given in literatures about the contact angle, θ and the work of adhesion, W, for nonreactive liquid metal / solid UO_2 systems, the validity and feasibility of the different existing models for calculating W in the metal /ox- ide systems are discussed. It can be shown that the models assuming that only metal atom-oxygen ion interactions existing at the interfaces are unable to explain the experimental results for W. More reasonable model should take into account both metal atom-oxygen ion and metal atom-oxide metal cation interactions, the proportion of the latter is balanced by the stoichiometry of the oxide. By applying the model recently set up by the authors for binary alloy / oxide systems, one can use the experimental and calculated values of θ and W for various metal / UO_2 systems to predict the influence of metallic additions on the contact angle and the work of adhesion of a given metal / UO_2 system.展开更多
This article shows the modeling of a uranium dioxide production reactor using COMSOL Multiphysics software program in its 4.3b version. The model was made using 3 kinds of studies: momentum, heat and mass transport, i...This article shows the modeling of a uranium dioxide production reactor using COMSOL Multiphysics software program in its 4.3b version. The model was made using 3 kinds of studies: momentum, heat and mass transport, in order to determine the influence of the most important operational parameters: UO<sub>3</sub> reaction rate, composition and flow of the reduction gas, the initial temperature reactor and the reducing gas. The operational parameters evaluated were the followings: constant gas flow of2.5 L/min, initial hydrogen concentration of 0.25, 0.50 and0.75 M, and initial temperature of 400°C. The obtained results allow to conclude that under these working conditions, uranium dioxide is obtained virtually instantaneous and, with concentrations close to 0.5 M H<sub>2</sub> in the reducing gas, the process can operate continuously and autogenously, without applying additional energy and temperatures around 600°C.展开更多
Understanding the evolution of microstructures in nuclear fuels under high-burn-up conditions is critical for extending fuel refueling cycles and enhancing nuclear reactor safety.In this study,a phase-field model is p...Understanding the evolution of microstructures in nuclear fuels under high-burn-up conditions is critical for extending fuel refueling cycles and enhancing nuclear reactor safety.In this study,a phase-field model is proposed to examine the evolution of high-burn-up structures in polycrystalline UO_(2).The formation and growth of recrystallized grains were initially investigated.It was demonstrated that recrystallization kinetics adhere to the Kolmogorov–Johnson–Mehl–Avrami(KJMA)equation,and that recrystallization represents a process of free-energy reduction.Subsequently,the microstructural evolution in UO_(2) was analyzed as the burn up increased.Gas bubbles acted as additional nucleation sites,thereby augmenting the recrystallization kinetics,whereas the presence of recrystallized grains accelerated bubble growth by increasing the number of grain boundaries.The observed variations in the recrystallization kinetics and porosity with burn-up closely align with experimental findings.Furthermore,the influence of grain size on microstructure evolution was investigated.Larger grain sizes were found to decrease porosity and the occurrence of high-burn-up structures.展开更多
Molecular dynamics calculation of UO2 in a wide temperature range are presented and dis- cussed. The calculated lattice parameters, mean square displacements, and dynamic prop- erty of phonon-level density of the velo...Molecular dynamics calculation of UO2 in a wide temperature range are presented and dis- cussed. The calculated lattice parameters, mean square displacements, and dynamic prop- erty of phonon-level density of the velocity auto-correlation functions for UO2 are provided. The Morelon potential and the Basak potential are employed. It confirms that the cal- culated lattice parameters using the Basak potential are in nearly perfect agreement with the reported values. The models successfully predict mean square displacement and Bredig transition. Furthermore, the phonon-level density of uranium dioxide are discussed. The intensity of phonon-level density increases with temperature, and the properties of UO2 are characterized by large thermal vibrations rather than extensive disorder.展开更多
This paper performs atomic simulations of the nucleation and growth of Xe bubble in UO2 at 1600 K. The bubble growth was simulated up to the bubble containing 50 Xe atoms. The Xe atoms were added directly to the bubbl...This paper performs atomic simulations of the nucleation and growth of Xe bubble in UO2 at 1600 K. The bubble growth was simulated up to the bubble containing 50 Xe atoms. The Xe atoms were added directly to the bubble one by one, followed by a relaxation of the system for several picoseconds. The simulations estimated the bubble pressure and radius at different Xe concentrations. The results indicate that the bubble pressure drops with the increasing Xe/U and bubble size at low Xe concentration, while the pressure will increase with the Xe/U ratio at high Xe concentration. The swelling of the system associated with the bubble growth was also obtained. Finally, the recovery of the damaged structure was investigated.展开更多
Black precipitates were successfully obtained by radiolytic reduction of ammonium uranyl tricarbonate in the aqueous solution of HCOONH_4 by one step.TEM,SAED,EDS,and XRD analysis indicated that the precipitates consi...Black precipitates were successfully obtained by radiolytic reduction of ammonium uranyl tricarbonate in the aqueous solution of HCOONH_4 by one step.TEM,SAED,EDS,and XRD analysis indicated that the precipitates consist of hollow UO2 nanospheres（φ：30-50 nm,wall thickness：8-15 nm,and cavity diameter：10-20 nm）.The effect of HCOONH4 concentration,irradiation time and dose rate on the morphology,and size of nanospheres was investigated.Then,a gas-bubble template mechanism was proposed.展开更多
The nuclear industry needs of prediction of behavior and life-time, for a wide range of normal, off-normal and accident conditions for safe and economic operation. Among different thermo-mechanical properties that can...The nuclear industry needs of prediction of behavior and life-time, for a wide range of normal, off-normal and accident conditions for safe and economic operation. Among different thermo-mechanical properties that can be predictable, the knowledge on the radial temperature distribution of the UO2 （uranium dioxide） nuclear fuel during the operation of nuclear reactors is essential for safety as different mechanical and thermal-hydraulic thresholds should be respected. One of the attributes of the Brazilian CNEN （Nuclear Energy Commission） is to assess the performance of the fuel rods used in these reactors in high-bumup regimes. The effective removal of the heat generated in the fuel rods constitutes one of the primary points to consider in the design of nuclear reactors. One of the important physical parameters in the study of heat conduction from the nuclear fuel to the coolant in a PWR （pressurized water reactor） is its thermal conductivity. It is therefore desirable that the empirical models, updated for the calculation of thermal conductivity in the fuel region be developed from new sets of experimental data from the irradiated fuel rods in controlled environments This paper presents the obtained results of implementing of a new model for thermal conductivity of the UO2 in the FRAPCON code.展开更多
基金Project(50874126)supported by the National Natural Science Foundation of China
文摘High-temperature creep properties of sintered uranium dioxide pellets with two grain sizes （9.0 μm and 23.8μm） were studied. The results indicate that the creep rate becomes a little faster with the reduction of the uranium dioxide grain size at the same temperature and the same load. At the same temperature, the logarithmic value of the steady creep rate vs stress has linear relation, and with increasing load, the steady creep rate of the sintered uranium dioxide pellet increases. Under the same load, the steady creep rate of the sintered uranium dioxide pellet increases with increasing temperature; and the creep rates of sintered uranium dioxide pellet with the grain size of 9.0 μm and 23.8 μm under 10 MPa are almost the same. The creep process is controlled both by Nabarro--Herring creep and Hamper-Dorn creep for uranium dioxide pellet with grain size of 9.0 μm, while Hamper---Dora creep is the dominantmechanism for uranium dioxide with grain size of 23.8 μm.
基金Supported by the New Century Excellent Talents in University in Ministry of Education of China under Grant No NCET-09-0867
文摘We report a study of the electronic structure and optical properties of uranium dioxide （U02） based on the ab-initio density-functional theory and using the generalized gradient approximation. To correctly describe the strong correlation between 5 f electrons of a uranium atom, we employ the on-site Hubbard U correction term and optimize the correlation parameter of the bulk uranium dioxide. Then we give the structural and electronic properties of the ground state of uranium dioxide. Based on the accurate electronic structure, we calculate the complex dielectric function of UO2 and the related optieM properties, such as reflectivity, refractive index, extinction index, energy loss spectra, and absorption coefficient.
文摘Using the experimental results given in literatures about the contact angle, θ and the work of adhesion, W, for nonreactive liquid metal / solid UO_2 systems, the validity and feasibility of the different existing models for calculating W in the metal /ox- ide systems are discussed. It can be shown that the models assuming that only metal atom-oxygen ion interactions existing at the interfaces are unable to explain the experimental results for W. More reasonable model should take into account both metal atom-oxygen ion and metal atom-oxide metal cation interactions, the proportion of the latter is balanced by the stoichiometry of the oxide. By applying the model recently set up by the authors for binary alloy / oxide systems, one can use the experimental and calculated values of θ and W for various metal / UO_2 systems to predict the influence of metallic additions on the contact angle and the work of adhesion of a given metal / UO_2 system.
文摘This article shows the modeling of a uranium dioxide production reactor using COMSOL Multiphysics software program in its 4.3b version. The model was made using 3 kinds of studies: momentum, heat and mass transport, in order to determine the influence of the most important operational parameters: UO<sub>3</sub> reaction rate, composition and flow of the reduction gas, the initial temperature reactor and the reducing gas. The operational parameters evaluated were the followings: constant gas flow of2.5 L/min, initial hydrogen concentration of 0.25, 0.50 and0.75 M, and initial temperature of 400°C. The obtained results allow to conclude that under these working conditions, uranium dioxide is obtained virtually instantaneous and, with concentrations close to 0.5 M H<sub>2</sub> in the reducing gas, the process can operate continuously and autogenously, without applying additional energy and temperatures around 600°C.
基金supported by the National Natural Science Foundation of China(Grant Nos.U20B2013 and 12205286)the National Key Research and Development Program of China(Grant No.2022YFB1902401)。
文摘Understanding the evolution of microstructures in nuclear fuels under high-burn-up conditions is critical for extending fuel refueling cycles and enhancing nuclear reactor safety.In this study,a phase-field model is proposed to examine the evolution of high-burn-up structures in polycrystalline UO_(2).The formation and growth of recrystallized grains were initially investigated.It was demonstrated that recrystallization kinetics adhere to the Kolmogorov–Johnson–Mehl–Avrami(KJMA)equation,and that recrystallization represents a process of free-energy reduction.Subsequently,the microstructural evolution in UO_(2) was analyzed as the burn up increased.Gas bubbles acted as additional nucleation sites,thereby augmenting the recrystallization kinetics,whereas the presence of recrystallized grains accelerated bubble growth by increasing the number of grain boundaries.The observed variations in the recrystallization kinetics and porosity with burn-up closely align with experimental findings.Furthermore,the influence of grain size on microstructure evolution was investigated.Larger grain sizes were found to decrease porosity and the occurrence of high-burn-up structures.
文摘Molecular dynamics calculation of UO2 in a wide temperature range are presented and dis- cussed. The calculated lattice parameters, mean square displacements, and dynamic prop- erty of phonon-level density of the velocity auto-correlation functions for UO2 are provided. The Morelon potential and the Basak potential are employed. It confirms that the cal- culated lattice parameters using the Basak potential are in nearly perfect agreement with the reported values. The models successfully predict mean square displacement and Bredig transition. Furthermore, the phonon-level density of uranium dioxide are discussed. The intensity of phonon-level density increases with temperature, and the properties of UO2 are characterized by large thermal vibrations rather than extensive disorder.
文摘This paper performs atomic simulations of the nucleation and growth of Xe bubble in UO2 at 1600 K. The bubble growth was simulated up to the bubble containing 50 Xe atoms. The Xe atoms were added directly to the bubble one by one, followed by a relaxation of the system for several picoseconds. The simulations estimated the bubble pressure and radius at different Xe concentrations. The results indicate that the bubble pressure drops with the increasing Xe/U and bubble size at low Xe concentration, while the pressure will increase with the Xe/U ratio at high Xe concentration. The swelling of the system associated with the bubble growth was also obtained. Finally, the recovery of the damaged structure was investigated.
基金supported by National Natural Science Foundation of China(No.91226112)the specialized research fund for the Doctored Program of Higher Education of China(No.20110001120121)
文摘Black precipitates were successfully obtained by radiolytic reduction of ammonium uranyl tricarbonate in the aqueous solution of HCOONH_4 by one step.TEM,SAED,EDS,and XRD analysis indicated that the precipitates consist of hollow UO2 nanospheres（φ：30-50 nm,wall thickness：8-15 nm,and cavity diameter：10-20 nm）.The effect of HCOONH4 concentration,irradiation time and dose rate on the morphology,and size of nanospheres was investigated.Then,a gas-bubble template mechanism was proposed.
文摘The nuclear industry needs of prediction of behavior and life-time, for a wide range of normal, off-normal and accident conditions for safe and economic operation. Among different thermo-mechanical properties that can be predictable, the knowledge on the radial temperature distribution of the UO2 （uranium dioxide） nuclear fuel during the operation of nuclear reactors is essential for safety as different mechanical and thermal-hydraulic thresholds should be respected. One of the attributes of the Brazilian CNEN （Nuclear Energy Commission） is to assess the performance of the fuel rods used in these reactors in high-bumup regimes. The effective removal of the heat generated in the fuel rods constitutes one of the primary points to consider in the design of nuclear reactors. One of the important physical parameters in the study of heat conduction from the nuclear fuel to the coolant in a PWR （pressurized water reactor） is its thermal conductivity. It is therefore desirable that the empirical models, updated for the calculation of thermal conductivity in the fuel region be developed from new sets of experimental data from the irradiated fuel rods in controlled environments This paper presents the obtained results of implementing of a new model for thermal conductivity of the UO2 in the FRAPCON code.
