First-principle studies of radioactive fission productions Cs/Sr/Ag/I adsorption on chrome-molybdenum steel in Chinese 200 MW HTR-PM  

作　　者：Chuan Li Chao Fang Chen Yang 

机构地区：[1]Institute of Nuclear and New Energy Technology,Collaborative Innovation Center of Advanced Nuclear Energy Technology,Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education,Tsinghua University

出　　处：《Nuclear Science and Techniques》2017年第6期123-132,共10页核技术（英文）

基　　金：supported by the National Science and Technology Major Project of the Ministry of Science and Technology of China(No.ZX06901)

摘　　要：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. 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.

关 键 词：FIRST-PRINCIPLE calculation FISSION product ADSORPTION behavior HTR-PM 

分 类 号：TL424[核科学技术—核技术及应用]