Ni-Al有序能对Ni75Al13Cr12合金原子有序行为影响的微观相场模拟

Microscopic Phase Field Simulation for the Influence of Ni-Al Ordering Energy on Ordering Behavior of Ni75Al13Cr12 Alloy Atoms

摘要:

通过微观相场方法研究了Ni75Al13Cr12合金Ni-Al第一到四层有序能对原子长程有序进程的影响。结果表明：随Ni-Al第一层有序能增大，Al原子的有序化和簇聚程度增加，Cr原子的有序化和簇聚程度随时间发生交替；第二层Ni-Al有序能增大，Al原子的有序度和簇聚程度均减小，Cr原子的有序化和簇聚程度也发生交替，其变化与第一层相反；第三层Ni-Al有序能增大，Al，Cr原子有序化和簇聚的程度和速度均有所增大；第四层Ni-Al有序能的影响与第三层相反。同样变化±10 meV，Ni-Al有序能对Al原子有序化和簇聚的影响随层数增大而增大，而第三层Ni-Al有序能对Cr原子的有序化和簇聚的影响最大，第二层Ni-Al有序能对Cr有序化的影响最小，Ni-Al第四层有序能对Cr原子的簇聚影响最小。

Abstract:

The influence of Ni-Al ordering energy from the first to the fourth layer on the atom long range order progress in Ni75Al13Cr12 alloy was investigated by microscopic phase field model. Results show that as the first Ni-Al ordering energy increased the ordering and the clustering degree of Al atoms increased, while that of Cr atoms alternated with time steps. As the second Ni-Al ordering energy increased, the ordering and the clustering degree of Al atoms decreased, while that of Cr atoms alternated, too, which was opposite to the change of the first layer. As the third Ni-Al ordering energy increased, the degree and speed of the ordering and the clustering of Al and Cr atoms were all increased. And the influence of the fourth Ni-Al ordering energy was contrary with the third one. Under the same change of ±10 meV, the influence of Ni-Al ordering energy on the ordering and the clustering of Al atoms became more obvious as increasing of the number of the layer; the influence of the third Ni-Al ordering energy on the ordering and the clustering of Cr atoms was maximum; while the influence of the second Ni-Al ordering energy on the Cr ordering was minimum, and the influence of the fourth ordering energy on the clustering of Cr atoms was minimum.