First-principle studies of radioactive fission productions Cs/Sr/Ag/I adsorption on chrome-molybdenu

• 作 者: Chuan Li Chao Fang Chen Yang
• 机 构: Institute of Nuclear and New Energy Technology,Collaborative Innovation Center of Advanced Nuclear E
• 出 处: Nuclear Science and Techniques
• 发表日期: 2017年06期
• 关键词: fission radioactive molybdenum adsorbed hollow silver steam cubic graphite prefe

Chrome-molybdenum steel(2·1/4Cr1Mo) is one of the main products of steam generation.The adsorption behaviors of radioactive fission products on2·1/4Cr1Mo surface are critical in the analysis of HTR-PM.Here,the adsorption behavior of cesium,strontium,silver and iodine on 2·1/4Cr1Mo was investigated with first-principle calculations that the Ag and I atoms prefer to be adsorbed at the square hollow site of the face-centered cubic iron cell with a binding energy of about 1 and 3 eV,respectively.In contrast,Cs and Sr atoms are not adsorbed on the surface of the 2·1/4Cr1Mo.These results are again confirmed via analysis of charge density differences and the densities of state.Furthermore,the adsorption rates of these fission products show that only I and Ag have significant adsorption on the metal substrate.These adsorption results explain the amount of adsorbed radionuclides for an evaluation of nuclear safety in HTR-PM.These micro-pictures of the interaction between fission products and materials are a new and useful way to analyze the source term.

Chrome-molybdenum steel (2 · 1 / 4Cr1Mo) is one of the main products of steam generation. The adsorption behaviors of radioactive fission products on 2 · 1 / 4Cr1Mo surface are critical in the analysis of HTR-PM.Here, the adsorption behavior of cesium, strontium, silver and iodine on 2 · 1 / 4Cr1Mo was investigated with first-principle calculations that the Ag and I atoms prefer to be adsorbed at the square hollow site of the face-centered cubic iron cell with a binding energy of about 1 and 3 eV, respectively. In contrast, Cs and Sr atoms are not adsorbed on the surface of the 2 · 1 / 4Cr1Mo.These results are again confirmed via analysis of charge density differences and the densities of state. Morerther, the adsorption rates of these fission products show that only I and Ag have significant adsorption on the metal substrate. The adsorption results explain the amount of adsorbed radionuclides for an evaluation of nuclear safety in HTR-PM. The micro-pictures of the interaction between fission products an d materials are a new and useful way to analyze the source term.