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  1. No Access

    Article

    First-principles study on the diffusion behavior of Cs and I in Cr coating

    Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical interaction. Cr coating has emerged as an important candidate for mitig...

    Shu-Ying Lin, **ao-**g Li, Lin-Bing Jiang, **-Jun Wu… in Nuclear Science and Techniques (2024)

  2. No Access

    Article

    Effects of impurity elements on SiC grain boundary stability and corrosion

    Grain boundaries (GBs) have critical influences on the stability and properties of various materials. In this study, first-principles calculations were performed to determine the effects of four metallic impur...

    Jun Hui, Bao-Liang Zhang, Tao Liu, Min Liu, Wen-Guan Liu in Nuclear Science and Techniques (2021)

  3. No Access

    Article

    Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes

    Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes were studied by means of first-principles calculations. The structure and stability of continuous hydrogenation in sing...

    **-Jun Wu, Ze-Jie Fei, Wen-Guan Liu, Jie Tan… in Nuclear Science and Techniques (2019)

  4. No Access

    Article

    Theoretical study of the interaction between hydrogen and 4d alloying atom in nickel

    In order to investigate the tritium behaviors in Hastelloy N alloy in molten salt reactor, first-principles calculations are used to study the interaction between hydrogen and 4d transition metal alloying atom in...

    Wen-Guan Liu, Yuan Qian, Dong-Xun Zhang, **ng-Bo Han… in Nuclear Science and Techniques (2017)