使用分子动力学法,研究不同半径的Ni晶胚在其液相中的生长及熔化行为.研究发现,一定半径的晶胚存在临界形核温度,高于这个温度,晶胚生长;低于这个温度,晶胚熔化,并且临界形核温度与晶胚半径的倒数成线性关系,这和经典形核理论以及Gibbs-Thomson模型的描述一致.基于临界晶胚演化的分子动力学模拟方法得到了金属Ni的Gibbs-Thomson系数为1.56× 10-7K·m,并获得了Ni的固液界面能为0.211 J/m2,结果与实验测量值一致.
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