Transactions of Nonferrous Metals Society of China The Chinese Journal of Nonferrous Metals

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中国有色金属学报(英文版)

Transactions of Nonferrous Metals Society of China

Vol. 26    No. 4    April 2016

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Quantitative calculation on atomic site occupation during precipitation of Ni3(Al1-xFex) by microscopic phase-field study
Hai-hong LIAO, Min-jie LIANG, Pei-kang BAI

School of Materials Science and Engineering, North University of China, Taiyuan 030051, China

Abstract:Microscopic phase-field method was used to simulate the site occupation of a series of alloys with a stoichiometric composition of Ni75Al25-xFex (x=0, 5-10) aged at 1273 K. With the change of Fe content, quantitative calculations were made on each atomic site occupation probability (SOP) in L12-Ni3 (Al1-xFex), so as to find out the dynamic response law. The result of the study shows that, with the increase of Fe content, the Fe atom preferentially occupies the B sites (corner sites of FCC) with its SOP value being increased gradually, and the SOP of the Al atom on the B sites is greatly decreased. Meanwhile, AlNi and FeNi anti-sites form in the precipitation of L12 phase. Moreover, with the increase of Fe content, the formation of AlNi and FeNi anti-sites becomes much easier. In addition, it has been found that the instantaneous dynamic evolution of the atomic SOP is completed at the early stage of the growth of L12 phases.

 

Key words: intermetallics; Ni75Al25-xFex alloy; atomic site occupation; precipitation; microscopic phase-field

ISSN 1004-0609
CN 43-1238/TG
CODEN: ZYJXFK

ISSN 1003-6326
CN 43-1239/TG
CODEN: TNMCEW

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