The glass transition behaviors of low-density amorphous ice films with different thicknesses

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 (T(g)) in the range of 90 K < T < 100 K for 4 nm amorphous ice film by FP-MD method, and 120 K < T(g) < 130 K for 8 nm amorphous ice film by MD method. Meanwhile, T(g) decreases with the decreasing thickness of amorphous ice film, which is also validated by the theoretical model.