Ni-Al间作用势对Ni75Al14Mo11合金原子有序化影响的微观相场模拟

摘要

The influence of Ni-Al interaction energy from the first layer to the fourth layer on the ordering behavior of Ni 75 Al 14 Mo 11 alloy atoms and the precipitation ofγ′phase was investigated by the microscopic phase-field kinetic model. The results show that as the first Ni-Al interaction energy increases, the ordering and the clustering degree of Al and Mo atoms increase. As the second Ni-Al interaction energy increases, the ordering and the clustering degree of Al and Mo atoms decrease. As the third Ni-Al interaction energy increase, the degree and speed of the ordering and the clustering of Al and Mo atoms increase. Compared with the early process, the larger atomic interaction in the later precipitation process has less impact on the Mo atoms. And the influence of the fourth Ni-Al interaction energy is the same with the second one. The increase of the first and the third Ni-Al interaction energy promotes the generation ofγ′phase, and the volume fraction increases, while the influences of the second and the fourth Ni-Al interatomic energy on γ′ phase are contrast to those of the first and the third ones.%采用三元微观相场动力学模型，研究第一到第四层Ni-Al原子间作用势对Ni 75 Al 14 Mo 11合金沉淀过程中原子有序行为及γ′相沉淀的影响。结果表明：当第一层Ni-Al原子间作用势增大时，Al和Mo有序化和簇聚的程度和速度增大；当第二层Ni-Al原子间作用势增大时，Al和Mo有序化和簇聚的程度和速度降低；当第三层Ni-Al原子间作用势增大时，Al和Mo的有序化和簇聚的程度和速度增大，相比之下沉淀后期较大的原子间作用势对Mo的影响程度较小；第四层Ni-Al原子间作用势对Ni和Al有序化和簇聚的影响与第二层原子间作用势的影响相同。第一、三层Ni-Al原子间作用势增大，将促进γ′相的生成，且γ′相体积分数增大，而第二、四层原子间作用势对γ′相影响与第一、三层的影响效果则相反。