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Ni-Cr-Al合金有序化早期原子尺度的模擬
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TG146.2

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國家自然科學(xué)基金資助(50071046)


Computer Simulation for Ni-Cr-Al Alloy during Early Ordering
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    摘要:

    基于三元體系的離散格點(diǎn)的微觀相場模型,模擬研究溫度1123K時(shí)三元合金Ni—Cr-Al有序化早期過程,通過研究沉淀過程原子圖像和序參數(shù)曲線的演化,發(fā)現(xiàn)低飽和度合金Ni-15at.%Cr-10.5at.%Al沉淀機(jī)制為非經(jīng)典形核長大,沉淀過程包括D022有序相的形核長大,Ll2有序相的形核和D022有序相向Ll2有序相的轉(zhuǎn)化3個(gè)階段。由于Cr原子替代Al原子位置,在Ll2有序相內(nèi)兩種原子占位幾率接近,形成Ni3(CrxAl1-x)結(jié)構(gòu)的Ll2有序相,并且與D022有序相共存。高飽和度合金沉淀機(jī)制為等成分有序化和失穩(wěn)分解混合機(jī)制,并且有序化和簇聚過程比低飽和度合金提前。

    Abstract:

    The aging behavior of Ni-Cr-Al ternary alloy are studied at temperature 1123 K, the early ordering process are simulated at atomic-scale with microscopic phase-field model. Precipitation mechanism of low supersaturated alloy Ni-15at.%Cr-10.5at.%Al is non-classical nucleation and growth, the precipitation process include three stages, i.e. the nucleation and growth of D022 ordering phase, nucleation of L12 ordering phase and transmit of L12 ordering phase from D022 ordering phase. The occupation possibilities of Al and Cr in L12 ordering phase are similar because of substitution behavior of Cr atom, Ni3(CrxAl1-x) structure are formed and coexist with D022 ordering phase. high supersaturated alloys show the congruent ordering and spinodal decomposition mechanism and the process of the ordering and clustering are precedent to low supersaturated alloys.

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褚忠 陳錚 王永欣 盧艷麗 李永勝. Ni-Cr-Al合金有序化早期原子尺度的模擬[J].稀有金屬材料與工程,2006,35(2):242~246.[Chu Zhong, Chen Zheng, Wang Yongxin, Lu Yanli, Li Yongsheng. Computer Simulation for Ni-Cr-Al Alloy during Early Ordering[J]. Rare Metal Materials and Engineering,2006,35(2):242~246.]
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  • 收稿日期:2004-11-15
  • 最后修改日期:2005-03-04
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