Construction of amorphous ice models using molecular dynamics simulations

Abstract

Interstellar dust consists of silicate cores and amorphous ice mantles and is considered to be the site of organic molecule synthesis. However, its atomic structure remains unknown. Previous Monte Carlo studies reproduced experimental results but simplified molecular shapes. This study reproduces the formation of amorphous ice using a molecular dynamics method that explicitly handles the shape of water molecules, yielding results consistent with previous research findings.