Microscopic phase-field modeling of atomic anti-site behaviors inprecipitation progress of Ni3(AlFe)
来源期刊：中国有色金属学报(英文版)2010年第10期
论文作者：梁敏洁 廖海洪 丁文江 陈铮
文章页码：1963 - 1967
Key words：anti-site; microscopic phase-field; precipitation; Ni3(AlFe)
Abstract: The effects of temperature on atomic anti-site behaviors in L12-Ni3(AlFe) phases were studied using microscopic phase-field dynamic model in precipitation progress of Ni75Al20Fe5 alloy. The results show that with the increase of temperature, the formation of NiAl and AlNi anti-sites is much easier in Ni3(AlFe), and Ni and Al anti-site atoms show clearly stronger temperature-dependent than Fe anti-site atoms. The evolution progress of anti-site atoms is completed at the initial growth stage of L12-Ni3(AlFe) phases. The site occupation probabilities of Ni atoms on the sublattice A (NiNi, face centers sites of FCC), and Al and Fe atoms on the sublattice B (AlAl and FeAl, corners sites of FCC) all present the degressive tendency with the temperature increasing. Fe atoms mainly prefer to occupy the Al sublattice at the whole temperature range.
