The glass transition behaviors of low-density amorphous ice films
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- The glass transition behaviors of low-density amorphous ice films
- 发表刊物：
- J. Chem. Phys
- 摘要：
- The glass transition behaviors of amorphous ice with different thicknesses are studied by determining
the heat capacity of low-density amorphous ice without crystallization using first principle
molecular dynamics (FP-MD) and classical MD methods. The behaviors are also studied by analyzing
hydrogen-bond network, the radial distribution functions, and relationship between hydrogen
bond and electronic structures. It is found that the glass transition temperature (Tg) in the range of
90 K < T < 100 K for 4 nm amorphous ice film by FP-MD method, and 120 K < Tg < 130 K for
8 nm amorphous ice film by MD method. Meanwhile, Tg decreases with the decreasing thickness of
amorphous ice film, which is also validated by the theoretical model.
- 合写作者：
- C.He, W.X. Zhang, and Y. Li
- 卷号：
- 133
- 页面范围：
- 204504
- 是否译文：
- 否
- 发表时间：
- 2010-11-25