Classical molecular dynamics simulations with global neural network machine learning potential are used to study early stage oxidation and dissolution behaviors of bcc Fe surfaces contacting with stagnant oxygen disso...Classical molecular dynamics simulations with global neural network machine learning potential are used to study early stage oxidation and dissolution behaviors of bcc Fe surfaces contacting with stagnant oxygen dissolved liquid leadbismuth eutectic(LBE-O).Both static and dynamic simulation results indicate that the early stage oxidation and dissolution behaviors of bcc Fe show strong orientation dependence under the liquid LBE environments,which may explain the experimental observations of uneven interface between iron-based materials and liquid LBE.Our investigations show that it is the delicate balance between the oxide growth and metal dissolution that leads to the observed corrosion anisotropy for bcc Fe contacting with liquid LBE-O.展开更多
基于单质全局物态方程模型QEOS(Quotidian equation of state),通过求解平均原子模型的混合物Thomas-Fermi方程以及将混合元素平均为单一虚拟元素的方法得到了混合物状态方程。对铅铋混合物LBE的物态方程做了初步研究,计算了LBE在给定...基于单质全局物态方程模型QEOS(Quotidian equation of state),通过求解平均原子模型的混合物Thomas-Fermi方程以及将混合元素平均为单一虚拟元素的方法得到了混合物状态方程。对铅铋混合物LBE的物态方程做了初步研究,计算了LBE在给定温度与密度下的压强、电离度等,并分析了电离平衡和不同温度、密度下电子及离子对总压强的贡献。展开更多
Based on the design of CLEAR(China LEAd-based Reactor), it is important to study the molten LBE(LeadBismuth Eutectic)/water interaction following an incidental steam generator tube rupture(SGTR) accident.Experiments w...Based on the design of CLEAR(China LEAd-based Reactor), it is important to study the molten LBE(LeadBismuth Eutectic)/water interaction following an incidental steam generator tube rupture(SGTR) accident.Experiments were carried out to investigate the fragmentation behavior of the molten LBE/water contacting interface, with a high-speed video camera to record the fragmentation behavior of 300–600?C LBE at 20?C and 80?C of water temperature. Violent explosion phenomenon occurred at water temperature of 20?C, while no explosion occurred at 80?C. Shapes of the LBE debris became round at 80?C of water temperature, whereas the debris was of the needle-like shape at 20?C. For all the molten LBE and water temperatures in the present study,the debris sized at 2.8–5.0 mm had the largest mass fraction. The results indicate that the dominant physical mechanism of the molten LBE fragmentation was the Kelvin-Helmholtz instability between LBE/water direct contact interface.展开更多
基金the National Natural Science Foundation of China(Grant No.U1832206).
文摘Classical molecular dynamics simulations with global neural network machine learning potential are used to study early stage oxidation and dissolution behaviors of bcc Fe surfaces contacting with stagnant oxygen dissolved liquid leadbismuth eutectic(LBE-O).Both static and dynamic simulation results indicate that the early stage oxidation and dissolution behaviors of bcc Fe show strong orientation dependence under the liquid LBE environments,which may explain the experimental observations of uneven interface between iron-based materials and liquid LBE.Our investigations show that it is the delicate balance between the oxide growth and metal dissolution that leads to the observed corrosion anisotropy for bcc Fe contacting with liquid LBE-O.
文摘基于单质全局物态方程模型QEOS(Quotidian equation of state),通过求解平均原子模型的混合物Thomas-Fermi方程以及将混合元素平均为单一虚拟元素的方法得到了混合物状态方程。对铅铋混合物LBE的物态方程做了初步研究,计算了LBE在给定温度与密度下的压强、电离度等,并分析了电离平衡和不同温度、密度下电子及离子对总压强的贡献。
基金Supported by National Natural Science Foundation of China(No.11302224)Strategic Priority Science & Technology Program of the Chinese Academy of Sciences(No.XDA03040000)
文摘Based on the design of CLEAR(China LEAd-based Reactor), it is important to study the molten LBE(LeadBismuth Eutectic)/water interaction following an incidental steam generator tube rupture(SGTR) accident.Experiments were carried out to investigate the fragmentation behavior of the molten LBE/water contacting interface, with a high-speed video camera to record the fragmentation behavior of 300–600?C LBE at 20?C and 80?C of water temperature. Violent explosion phenomenon occurred at water temperature of 20?C, while no explosion occurred at 80?C. Shapes of the LBE debris became round at 80?C of water temperature, whereas the debris was of the needle-like shape at 20?C. For all the molten LBE and water temperatures in the present study,the debris sized at 2.8–5.0 mm had the largest mass fraction. The results indicate that the dominant physical mechanism of the molten LBE fragmentation was the Kelvin-Helmholtz instability between LBE/water direct contact interface.
