Atomic anti-site evolution during L12 precipitation using microscopic phase-field simulation
The influence of temperature on atomic site occupation probability (SOP) in L12--Ni3(Al1-xFex) has been studied using microscopic phase-field simulation for Ni3Al-Fe alloy with the lower Fe content. Microscopic phase-field kinetics model was further extended to study the temporal evolution of atomic site occupation and atomic anti-sites behavior, which was revealed in detail at the different temperatures. The results show that the size, number and the precipitation mechanism of L12 phases also present obvious changes with the increase of temperature. The SOP of each atom on its right-sites decreases slowly; while the SOP of Fe atoms are far lower than those of Al atoms. On the other hand, the SOP of each atom on its anti-sites increases gradually. The formation of NiAl (Ni atoms form anti-sites on Al sites) is more easily and the formation of NiAl is more sensitive to temperature than that of FeNi (Fe atoms form anti-sites on Ni sites). Atomic site occupation will not evolve during the early stage of precipitation, which becomes more and more obvious.
Site occupation probability Anti-site Microscopic phase-field Precipitation L12-Ni3 (AlFe)
Minjie LIANG Haihong LIAO Wenjiang Ding Zheng CHEN
School of Material Science and Engineering, North University of China, Taiyuan 030051, China School School of Material Science and Engineering, North University of China, Taiyuan 030051, China School of Materials Science and Engineering,Shanghai Jiaotong University, Shanghai 200240, China School of Material Science and Engineering, Northwestern Polytechnical University, Xi’an 710072, Chi
国际会议
11th IUMRS International Conference in Asia(第十一届国际材联亚洲材料大会 IUMRS-ICA 2010)
青岛
英文
43-48
2010-09-25（万方平台首次上网日期，不代表论文的发表时间）