用双粒子模型研究微量元素与Ni在Ni_3Al晶界共富集现象  

The dual-species model study of co-enrichment of trace elements and Ni at Ni_3Al grain boundary

作　　者：郑里平[1] 李斗星[2] 许子健[1] 朱志远[1] 

机构地区：[1]中国科学院上海应用物理研究所 [2]中国科学院金属研究所,沈阳110016

出　　处：《物理学报》2007年第3期1520-1525,共6页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:50271074;90206044)资助的课题.~~

摘　　要：双粒子模型的基础是描述原子之间相互作用势为EAM(embedded atom method)势的Monte Carlo模拟.模型建议:在Ni3Al晶界弛豫时,微量元素原子既被看作为偏析子又被看作为诱发子.作为偏析子它在晶界偏析(或富集),作为诱发子它诱发Ni原子在晶界偏析(或富集).可见本模型能解析共偏析(或共富集)现象.根据正(或诱发子)效应与负(或偏析子)效应的联合影响,模型解释了Ni在Ni3Al晶界最明显富集现象.The dual-species model is based on the Monte Carlo simulation conjoined with the embedded atom method （EAM） potentials. The model suggests that during relaxation of Ni3 Al grain boundary, the trace element atoms can be seen not only as segregating species but also as inducing species. As segregating species the trace element atoms segregate （or enrich） to the grain boundary, but as inducing species they induce Ni atoms to segregate （or enrich） to the grain boundary. Evidently, the model can explain why the trace element atoms and Ni atoms co-segregate （or co-enrich） to the grain boundary. According to combination of positive （as inducing species） and negative （as segregating species） effects, the model explains the most obvious Ni-enrichment phenomenon at Ni3Al grain boundaries.

关 键 词：偏析子与诱发子 基体效应 在晶界共富集 晶界内聚性 

分 类 号：O482[理学—固体物理]