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Ni-Al有序能對(duì)Ni75Al13Cr12合金原子有序行為影響的微觀相場模擬
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國家自然科學(xué)基金(50671084);中國博士后科學(xué)基金(20070420218);陜西省自然科學(xué)基金


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

    通過微觀相場方法研究了Ni75Al13Cr12合金Ni-Al第一到四層有序能對(duì)原子長程有序進(jìn)程的影響。結(jié)果表明:隨Ni-Al第一層有序能增大,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隨時(shí)間發(fā)生交替;第二層Ni-Al有序能增大,Al原子的有序度和簇聚程度均減小,Cr原子的有序化和簇聚程度也發(fā)生交替,其變化與第一層相反;第三層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;第四層Ni-Al有序能的影響與第三層相反。同樣變化±10 meV,Ni-Al有序能對(duì)Al原子有序化和簇聚的影響隨層數(shù)增大而增大,而第三層Ni-Al有序能對(duì)Cr原子的有序化和簇聚的影響最大,第二層Ni-Al有序能對(duì)Cr有序化的影響最小,Ni-Al第四層有序能對(duì)Cr原子的簇聚影響最小。

    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.

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趙 彥,陳 錚,王永欣,張利鵬,張明義,張 靜. Ni-Al有序能對(duì)Ni75Al13Cr12合金原子有序行為影響的微觀相場模擬[J].稀有金屬材料與工程,2009,38(10):1756~1760.[Zhao Yan, Chen Zheng, Wang Yongxin, Zhang Lipeng, Zhang Mingyi, Zhang Jing. Microscopic Phase Field Simulation for the Influence of Ni-Al Ordering Energy on Ordering Behavior of Ni75Al13Cr12 Alloy Atoms[J]. Rare Metal Materials and Engineering,2009,38(10):1756~1760.]
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  • 收稿日期:2008-09-22
  • 最后修改日期:2009-06-11
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