Microscopic phase field study of the antisite defect of Ni3Al in binary Ni-Al alloys

Jing Zhang, Zheng Chen, Yanli Lu, Mingyi Zhang, Yongxin Wang

科研成果: 期刊稿件文章同行评审

3 引用 (Scopus)

摘要

The temporal evolution feature of a microscopic phase field model is utilized to study the antisite defects of L12-Ni3Al; this is quite different from other physicist' interests. There are mainly two points in brief. Firstly, antisite defects NiAl and AlNi, which are caused by the deviation from the stoichiometric Ni3Al, coexist in the Ni 3Al phase. The surplus Ni atom in the Ni-rich side is prone to substitute Al thus producing the antisite defect NiAl that maintains the stability of the L12 structure. In other case, the surplus Al atom in the Al-rich side is accommodated by a Ni sublattice consequently giving rise to antisite defect AlNi. The calculated equilibrium occupancy probability of NiAl is much higher than that of AlNi. This point is generally in line with other theoretical and experimental works. Additionally, both NiAl and AlNi have a strong negative correlation to time step during the disorder-order transformation. Since the initial value of NiAl and AlNi on each site of the matrix is right at the concentration that we set, we can observe the decrease process of NiAl and AlNi from the initial disordered high anti-structure state to their respective equilibrium state, i.e. to the result of the ordering process further coarsening.

源语言英语
页(从-至)2047-2053
页数7
期刊Science China: Physics, Mechanics and Astronomy
53
11
DOI
出版状态已出版 - 11月 2010

指纹

探究 'Microscopic phase field study of the antisite defect of Ni3Al in binary Ni-Al alloys' 的科研主题。它们共同构成独一无二的指纹。

引用此