分子动力学模拟测得熔融 (RbCl) 10 8离子簇在 30 0K至 6 0 0K温度时凝固的成核速率大于 10 35m-3s-1。用均相成核的经典理论加以分析 ,估算得氯化铷离子簇的固液界面自由能σsl∝T1 4 ;用Gr偄ｎ偄ｓｙ提出的扩散界面理论加以分析 ,估算得扩散界面厚度约为 0 195nm ,σsl∝T0 97。 2个理论在实验温度范围内没有明显差别 ,且均能较好地重现分子动力学模拟的结果 ,但预测的较高温度下的成核速率有比较显著区别 ,因此进一步地研究将有助于鉴别它们 Molecular dynamics simulation showed that the nucleation rate of the solidified RbCl 10 8 clusters at 10 0K to 600 K was greater than 10 35 m -3 s -1. Using the classical theory of homogeneous nucleation, the free energy σslαT1 4 of the solid-liquid interface of rubidium chloride clusters was estimated. The diffusion interface theory proposed by Gr 偄 n 偄 sy was used to estimate the diffusion interface thickness 0 195 nm, σslαT0 97. There is no significant difference between the two theories in the experimental temperature range, and both can well reproduce the results of molecular dynamics simulation. However, the predicted nucleation rates at higher temperatures are quite different, so further study will help To identify them