Antisite Defects of the L1(2) Structure Determined by the Phase Field Microelasticity Model

作者：Zhang Jing^*; Chen Zheng; Lu Yan Li; Wang Yong Xin; Zhao Yan

来源：Chinese Physics Letters, 2009, 26(6): 066101.

DOI：10.1088/0256-307x/26/6/066101

A phase field microelasticity simulation is performed to examine the antisite defect of L1(2)-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 Al-Ni, the equilibrium occupancy probability (OP) of which declines, precedes Ni-Ni and V-Ni in reaching equilibrium; subsequently, Ni-Ni and V-Ni present a phenomenon of symmetrical rise and decline individually. Similarly, for the Al sublattice, the antisite defect Ni-Al, the OP of which eventually rises, takes fewer time steps than Al-Al and V-Al to attain equilibrium. Thereafter, Al-Al rises while V-Al declines symmetrically at the axes of the Ni-Al curve. Furthermore, the OP for the Al sublattice is much more sensitive to strain energy than that for the Ni sublattice.

• 出版日期2009-6
• 单位西北工业大学