外场下失稳区合金沉淀机制的计算机研究

稀有金属材料与工程, 2005, 34(1): 46-50.

外场下失稳区合金沉淀机制的计算机研究

王永欣 ^1, , 陈铮 ^2, , 刘兵 ^3, , 马良 ^4, , 唐丽英 ^5, , 赵宇宏 ^6,

1.西北工业大学,陕西,西安,710072

2.西北工业大学,陕西,西安,710072

3.西北工业大学,陕西,西安,710072

4.西北工业大学,陕西,西安,710072

5.西北工业大学,陕西,西安,710072

6.西北工业大学,陕西,西安,710072

基金项目: 西北工业大学校科研和教改项目国家自然科学基金(50071046) 国家高技术研究发展计划(863计划)

关键词：原子间相互作用势 , 沉淀 , 原子图像 , 序参数 , 计算机模拟

Computer Simulation of the Mechanism of Ordered Precipitates of Al-Li Alloy in External Energy Filed

基于离散格点形式的微扩散方程(Langevin方程)和非平衡自由能函数,编制了引入原子间相互作用能变化的Al3Li(δ′)相沉淀原子层面计算机模拟程序.该程序包容亚稳区到失稳区的全部温度、成分范围,孕育期至粗化的全过程,可以处理与时间相关的过程问题.开展了不同原子间相互作用势下原子图像、序参数的计算机模拟,进而探讨了最近邻原子相互作用能(W1)对有序相沉淀的影响机制.探明过渡区合金先发生等成分有序化,后进行失稳分解;随W1的增大,有序相沉淀的孕育期缩短,单相有序畴数量增多,面积减小,合金达到最大有序化的时间早,所能达到的最大有序化程度大.W1值较大,会促进合金有序化和原子簇聚,阻碍无序相的形成.

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