The glass transition behaviors of low-density amorphous ice films

Release Time:2025-04-30  Hits:

• Date:2025-04-30
• Title of Paper:The glass transition behaviors of low-density amorphous ice films
• Journal:J. Chem. Phys
• Summary: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.
• Co-author:C.He, W.X. Zhang, and Y. Li
• Volume:133
• Page Number:204504
• Translation or Not:No
• Date of Publication:2010-11-25