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通过分子动力学模拟,考查并分析了(KI)108离子簇的结构、能量和相变的动力学行为.在加热和冷却过程中,离子簇再现了熔化和凝固现象,而且熔化起始于立方体的其一顶点,熔化的离子簇不是球形的,说明了离子簇的非湿特征.根据结晶的成核速率,讨论了电子衍射实验中观察KI凝固的可能性
Through the molecular dynamics simulation, the kinetic behaviors of the (KI) 108 ion clusters were investigated and analyzed. During heating and cooling, ion clusters reproduce melting and solidification phenomena, and melting begins at one of the vertices of the cube. The melting ion clusters are not spherical, indicating the non-wetting characteristics of ion clusters. According to the nucleation rate of crystallization, the possibility of observing KI solidification in electron diffraction experiment is discussed