[Published online Journal of Computer Chemistry, Japan Vol.18, 202-204, by J-STAGE]
<Title:> フォルステライト表面における水分子の分解とプロトン拡散
<Author(s):> 久保 文音, 西澤 隼哉, 深澤 倫子
<Corresponding author E-Mill:> fukazawa(at)meiji.ac.jp
<Abstract:> To investigate the effects of forsterite structure on processes of H2O decomposition and proton diffusion, we performed molecular dynamics calculations on forsterites in glassy and crystalline states. The result shows that the decomposition rate of H2O on forsterite in the glassy state is higher than that in crystalline state in a temperature range of 200 to 400 K. Furthermore, the decomposed proton permeates into the internal part of glassy forsterite through hopping, whereas no permeation was observed for the crystalline state. These results suggest that the glassy structure of forsterite is an important factor for chemical evolution processes in interstellar spaces.
<Keywords:> Molecular dynamics calculation, Forsterite glass, Forsterite crystal, Amorphous ice, Surface
<URL:> https://www.jstage.jst.go.jp/article/jccj/18/5/18_2019-0041/_article/-char/ja/
