作者: M. M. Conde , C. Vega , A. Patrykiejew
DOI: 10.1063/1.2940195
关键词: Optics 、 Free surface 、 Melting point 、 Plane (geometry) 、 Amorphous ice 、 Supercooling 、 Water model 、 Surface (mathematics) 、 Composite material 、 Ice Ih 、 Materials science
摘要: Molecular dynamic simulations were performed for ice Ih with a free surface by using four water models, SPC/E, TIP4P, TIP4P/Ice, and TIP4P/2005. The behavior of the basal plane, primary prismatic secondary plane when exposed to vacuum was analyzed. We observe formation thin liquid layer at temperatures below melting point all models three planes considered. For given it found that thickness similar different comparison is made same undercooling respect model. increase temperature. fixed temperature decreases in following order: plane. TIP4P/Ice model, model reproducing experimental value ice, first clear...