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中国物理学会期刊

用双粒子模型研究微量元素与Ni在Ni3Al晶界共富集现象

CSTR: 32037.14.aps.56.1520

The dual-species model study of co-enrichment of trace elements and Ni at Ni3Al grain boundary

CSTR: 32037.14.aps.56.1520
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  • 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 Ni3Al 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.

     

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