摘要A phase field microelasticity simulation is performed to examine the antisite defect of L12-Ni3Al in Ni75Al5.3V19.7 ternary alloy. Combinimg strain energy with the phase field model leads to an atom configuration change as time proceeds. For the Ni sublattice, the antisite defect AlNi, the equilibrium occupancy probability (OP) of which declines, precedes NiNi and VNi in reaching equilibrium; subsequently, NiNi and VNi present a phenomenon of symmetrical rise and decline individually. Similarly, for the Al sublattice, the antisite defect NiAl, the OP of which eventually rises, takes fewer time steps than AlAl and VAl to attain equilibrium. Thereafter, AlAl rises while VAl declines symmetrically at the axes of the NiAl curve. Furthermore, the OP for the Al sublattice is much more sensitive to strain energy than that for the Ni sublattice.
Abstract：A phase field microelasticity simulation is performed to examine the antisite defect of L12-Ni3Al in Ni75Al5.3V19.7 ternary alloy. Combinimg strain energy with the phase field model leads to an atom configuration change as time proceeds. For the Ni sublattice, the antisite defect AlNi, the equilibrium occupancy probability (OP) of which declines, precedes NiNi and VNi in reaching equilibrium; subsequently, NiNi and VNi present a phenomenon of symmetrical rise and decline individually. Similarly, for the Al sublattice, the antisite defect NiAl, the OP of which eventually rises, takes fewer time steps than AlAl and VAl to attain equilibrium. Thereafter, AlAl rises while VAl declines symmetrically at the axes of the NiAl curve. Furthermore, the OP for the Al sublattice is much more sensitive to strain energy than that for the Ni sublattice.
ZHANG Jing;CHEN Zheng;LU Yan-Li;WANG Yong-Xin;ZHAO Yan. Antisite Defects of the L12 Structure Determined by the Phase Field Microelasticity Model[J]. 中国物理快报, 2009, 26(6): 66101-066101.
ZHANG Jing, CHEN Zheng, LU Yan-Li, WANG Yong-Xin, ZHAO Yan. Antisite Defects of the L12 Structure Determined by the Phase Field Microelasticity Model. Chin. Phys. Lett., 2009, 26(6): 66101-066101.
[1] Liu J B, Johnson D D and Smirnov A V 2005 ActaMater. 53 3601 [2] Mishin Y 2004 Acta Mater. 52 1451 [3] Fu C L and Painter G S 1997 Acta Mater. 45 481 [4] Badura-Gergen K and Schaefer H E 1996 Phys. Rev. B 56 3032 [5] Xie Z Y and Farkas D 1994 J. Mater. Res. 9 875 [6] Johnson R A and Brown J R 1992 J. Mater. Res. 7 3213 [7] Kim S M 1991 J. Mater. Res. 6 1455 [8] Caro A, Victoria M and Averback R S 1990 J. Mater.Res. 5 1409 [9] Foiles S M and Daw M S 1987 J. Mater. Res. 2 5 [10] Zheng L P, Li D X, Zhu Z Y et al 2002 Mater. Lett. 56 65 [11] Ikeda T, Numakura H and Koiwa M 1998 Acta Mater. 46 18 [12] Hu Q M, Yang R, Hao Y L, Xu D S et al 2004 Phys.Rev. Lett. 92 18 [13] Wang T M, Wang B Y, Ju X et al 2001 Chin. Phys.Lett. 18 361 [14] Chen L Q and Simmons J A 1994 Acta Metall. Mater. 42 2943
2009, Vol. 26 
