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用分子动力学模拟方法研究了过冷Ni3Al熔体的微观结构演变过程和晶态 相形核的动力学细节. 结果表明, 非晶团簇在形核前已经消失, 不参与形核过程; 晶核为fcc结构和hcp结构的混合体, 呈现不规则形状.

The microstructure evolution of the supercooled Ni3Al melt and the kinetic details of the crystalline nucleation in the melt are investigated using the molecular dynamics simulation method. It is indicated that the non-crystal atomic clusters disappear from the melt before the beginning of the nucleation. The crystal nucleus is a random mixture of FCC structures and HCP structures and shows an irregular shape.

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