Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2017, Vol. 28 ›› Issue (6): 79 doi: 10.1007/s41365-017-0241-8

• NUCLEAR ENERGY SCIENCE AND ENGINEERING • Previous Articles     Next Articles

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

Chuan Li, Chao Fang, Chen Yang   

  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, Beijing 100084, China
  • Supported by:

    Supported by the National Science and Technology Major Project of the Ministry of Science and Technology of China (No. ZX06901).

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Chuan Li, Chao Fang, Chen Yang. First-principle studies of radioactive fission productions Cs/Sr/Ag/I adsorption on chrome–molybdenum steel in Chinese 200 MW HTR-PM.Nuclear Science and Techniques, 2017, 28(6): 79     doi: 10.1007/s41365-017-0241-8
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Abstract:

Chrome–molybdenum steel (21/4Cr1Mo) is one of the main products of steam generation. The adsorption behaviors of radioactive fission products on 21/4Cr1Mo
surface are critical in the analysis of HTR-PM. Here, the adsorption behavior of cesium, strontium, silver and iodine on 21/4Cr1Mo 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 21/4Cr1Mo. 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.

Key words: First-principle calculation, Fission product, Adsorption behavior, HTR-PM