Analysis of Ni75-3x/4Al25-x/4Crx Grain Boundary Structures with a Double Species Model
ZHENG Li-Ping1,2, MA Yu-Gang1, XU Zi-Jian1, ZHU Zhi-Yuan1, LI Dou-Xing3
1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800
2International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110016
3Shenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016
Analysis of Ni75-3x/4Al25-x/4Crx Grain Boundary Structures with a Double Species Model
1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800
2International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110016
3Shenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016
Abstract： Based on the Monte Carlo simulation conjoined with the embedded atom method (EAM) potentials, a double species model is employed to study the Ni75-3x/4Al25-x/4Crx structure, i.e. impure Ni3Al together with a grain boundary structure at the equilibrium. At the grain boundary, the model shows that Ll2-Ni3Al transforms into fcc-Ni when x increases from 0 to 0.40; then fcc-Ni transforms into Ll2-Ni3Cr when x increases from 0.40 to 2.40.
ZHENG Li-Ping;MA Yu-Gang;XU Zi-Jian;ZHU Zhi-Yuan;LI Dou-Xing. Analysis of Ni75-3x/4Al25-x/4Crx Grain Boundary Structures with a Double Species Model[J]. 中国物理快报, 2005, 22(6): 1484-1487.
ZHENG Li-Ping, MA Yu-Gang, XU Zi-Jian, ZHU Zhi-Yuan, LI Dou-Xing. Analysis of Ni75-3x/4Al25-x/4Crx Grain Boundary Structures with a Double Species Model. Chin. Phys. Lett., 2005, 22(6): 1484-1487.
2005, Vol. 22 
