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 ›› 2003, Vol. 14 ›› Issue (1): 60

• LOW ENERGY ACCELERATOR, RAY TECHNOLOGY AND APPLICATIONS • Previous Articles     Next Articles

Physical behaviors of impure atoms during relaxation of impure NiAl-based alloy grain boundary

ZHENG Li-Ping1,2, JIANG Bing-Yao3, LIU Xiang-Huai3, LI Dou-Xing4   

  1. 1Shanghai Institute of Nuclear Research, the Chinese Academy of Sciences, Shanghai 201800;
    2International Centre for Material Physics, the Chinese Academy of Sciences, Shenyang 110016;
    3Ion Beam Laboratory, Shanghai Institute of Metallurgy, the Chinese Academy of Sciences, Shanghai 200050;
    4Shenyang National Laboratory for Materials Sciences, Institute of Metal Research, the Chinese Academy of Sciences, Shenyang 110016
  • Supported by:
    Supported by the National Natural Science Foundation of China( No.50271074, No.90206044)
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ZHENG Li-Ping, JIANG Bing-Yao, LIU Xiang-Huai, LI Dou-Xing. Physical behaviors of impure atoms during relaxation of impure NiAl-based alloy grain boundary.Nuclear Science and Techniques, 2003, 14(1): 60

Abstract: The Monte Carlo simulation with the energetics described by the embedded atom method has been employed to mainly study physical behaviors of boron atoms during relaxation of the Ni3Al-x at.% B grain boundary. During relaxation of impure Ni3Al grain boundaries, we suggest that for different types of impure atoms(Mg, B, Cr and Zr atoms etc.), as the segregating species, they have the different behaviors, but as the inducing species, they have the same behaviors, i.e. they all induce Ni atoms to substitute Al atoms. Calculations show that at the equilibrium, when x(the B bulk concentration) increases from 0.1 to 0.9 , the peak concentration of B increases, correspondently, the peak concentration of Ni maximizes but the valley concentration of Al minimizes, at x = 0.5. The calculations also show the approximate saturation of Ni at the grain boundary at x = 0.5.

Key words: Grain boundary, Segregating species, Inducing species