Structures of surface and interface of amorphous ice
Abstract
To investigate the surface structure, we performed molecular dynamics calculations of amorphous ice. The result shows that a low density layer, which forms a few hydrogen bonds with weaker strength, exists in the surface. Furthermore, the sintering processes were simulated to investigate the structure of grain boundary formed from the adsorption of two surfaces. The result indicates that a low density region exists in a boundary between amorphous ice grains. The structures of surface and interface of amorphous ice have important implications for adsorption, diffusion, and chemical reaction in ice grains of interstellar molecular clouds.
- Publication:
-
Chemical Physics Letters
- Pub Date:
- June 2017
- DOI:
- 10.1016/j.cplett.2017.04.055
- Bibcode:
- 2017CPL...678..153K
- Keywords:
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- Amorphous ice;
- Surface;
- Molecular dynamics calculation