本文利用分子动力学方法对非晶纯镍材料压缩变形过程中纳米晶化现象进行了模拟，研究了非晶变形过程中绝热温升对非晶晶化的影响，结果表明，绝热温升不是导致非晶晶化的主要因素。从微观结构演化的角度考察了非晶晶化过程中晶粒的形核和长大，分析发现，应变导致非晶态金属从亚稳态结构逐渐向稳态结构转变，在系统内部的部分短程序原子团逐步合并形成小的晶核，随着应变的增加，晶核逐渐长大，形成一定尺寸的纳米晶粒。
The nano-crystallization behavior of amorphous pure Ni under compression deformation has been investigated by using a molecular dynamics simulation. The effect of adiabatic procedure on the nano-crystallization was studied. The nucleation and growth of nano crystal was observed by through the evolution of micro structure. It was shown that the transition from the metastable structure to crystal structure was driven by the compression deformation. The shorted ordered clusters combined and grew into the nano-crystal with the strain increasing.
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