Open AccessThe dual-species model study of co-enrichment of trace elements and Ni at Ni3Al grain boundary
Author(s) -
LP Zheng,
DX Li,
ZJ Xu,
ZY Zhu
Publication year - 2007
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.56.1520
Subject(s) - grain boundary , trace (psycholinguistics) , atom (system on chip) , materials science , trace element , boundary element method , nickel , chemical physics , relaxation (psychology) , boundary (topology) , condensed matter physics , metallurgy , finite element method , thermodynamics , physics , microstructure , biology , computer science , mathematical analysis , linguistics , philosophy , mathematics , neuroscience , embedded system
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 Ni3Al grain boundarythe 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.