Microscopic phase-field modeling of atomic anti-site behaviors in precipitation progress of Ni_3(AlFe)  

作　　者：梁敏洁 廖海洪 丁文江 陈铮 

机构地区：[1]School of Materials Science and Engineering,Shanghai Jiao Tong University [2]School of Materials Science and Engineering,North University of China [3]School of Materials Science and Engineering,Northwestern Polytechnical University

出　　处：《Transactions of Nonferrous Metals Society of China》2010年第10期1963-1967,共5页中国有色金属学报（英文版）

基　　金：Project(50671084) supported by the National Natural Science Foundation of China;Project(2009021028) supported by Science and Technique Foundation for Young Scholars of Shanxi Province, China;Project(20100470125) supported by National Science Foundation for Post-doctoral Scientists of China

摘　　要：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.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.

关 键 词：anti-site microscopic phase-field PRECIPITATION Ni3（AlFe） 

分 类 号：TG146.15[一般工业技术—材料科学与工程]