Molecular Dynamics Studies of Solid-Liquid Phase Transitions Ⅱ——Homogeneous Nucleation of (KI)_(108) Clusters

在一系列分子动力学计算中，（ＫＩ）１０８离子簇冷却时自发地由液相变为立方面心相．在３５０Ｋ和４００Ｋ的成核速率大于１０３６核／ｍ３·ｓ．由成核速率得到的固－液界面自由能约为５０ｍＪ／ｍ２．

In a series of molecular dynamics runs on (KI) 108 clusters spontaneous transitions from liquid to the fcc phase occured during cooling. Nucleation rates exceeding 10 36 critical nuclei m -3 s -1 were determined at 350 K and 400 K. Interfacial free energies of liquid-fcc phase derived from the rates were -50 mJ/m 2.