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,t...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.展开更多
基金supported by the National Science and Technology Major Project of the Ministry of Science and Technology of China(No.ZX06901)
文摘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.
